{"version":"1.0","truncation":null,"padding":null,"added_tokens":[{"id":0,"special":true,"content":"<pad>","single_word":false,"lstrip":false,"rstrip":false,"normalized":false},{"id":1,"special":true,"content":"</s>","single_word":false,"lstrip":false,"rstrip":false,"normalized":false},{"id":2,"special":true,"content":"<unk>","single_word":false,"lstrip":false,"rstrip":false,"normalized":false}],"normalizer":{"type":"Sequence","normalizers":[{"type":"Nmt"},{"type":"NFKC"},{"type":"Replace","pattern":{"Regex":" {2,}"},"content":" "}]},"pre_tokenizer":{"type":"Sequence","pretokenizers":[{"type":"Metaspace","replacement":"▁","add_prefix_space":true}]},"post_processor":{"type":"TemplateProcessing","single":[{"Sequence":{"id":"A","type_id":0}},{"SpecialToken":{"id":"</s>","type_id":0}}],"pair":[{"Sequence":{"id":"A","type_id":0}},{"Sequence":{"id":"B","type_id":1}}],"special_tokens":{"</s>":{"id":"</s>","ids":[1],"tokens":["</s>"]}}},"decoder":{"type":"Metaspace","replacement":"▁","add_prefix_space":true},"model":{"type":"Unigram","unk_id":2,"vocab":[["<pad>",0.0],["</s>",0.0],["<unk>",0.0],["C",-3.908078337486284],["C(=O)",-4.835333578895687],["O",-5.019186103651274],["▁C",-5.070913545567512],["c1",-5.095649138854602],["N",-5.29481941622976],["C(=O)N",-5.336775611137],["c1ccccc1",-5.36564336662652],[")",-5.457642067071175],["CC",-5.566466481624316],["C1",-5.64941134322507],["cc1",-5.682309825344367],["S(=O)(=O)",-5.729720989611321],["▁CC",-5.739979798619018],["n1",-5.824152448431361],["NC(=O)",-5.887690991636244],["CC1",-5.965996376037118],["OC",-5.980509614694199],[".Cl",-6.025034967295163],["▁COc1ccc(",-6.040886140299012],["▁O=C(N",-6.106341148785113],["▁O=C(",-6.12979693206322],["1",-6.166024589848446],["n",-6.193564972365367],["C(=O)O",-6.200202281791398],["c",-6.202024514360254],["(C)",-6.246708573229716],["c1ccc(",-6.255320956139398],["▁Cc1ccc(",-6.2683935835571685],["S",-6.275268459830569],["▁CC(C)",-6.337225362610161],[")c1ccccc1",-6.347133469183888],["c([N+](=O)[O-])",-6.413674993610442],["C2",-6.416420676611562],["c2ccccc21",-6.420692471984729],["-",-6.433971244266019],["CO",-6.438708007514306],["▁CCOC(=O)",-6.439182973066227],["2",-6.443808457121261],["c1ccc(Cl)cc1",-6.5132342402528405],["▁CCC",-6.520061937128586],["C1=O",-6.572987262974632],["c2cc",-6.591579545799524],["▁COc1cc",-6.607294109930276],["c2ccccc2)",-6.61886500358966],["▁COC(=O)",-6.6335954841563645],["▁N",-6.678801459074053],["c2c",-6.6996530643495635],["/C=C/",-6.716649461963435],["c2ccccc2)cc1",-6.7603892777027745],["c2ccc",-6.7795326424117395],["[N+](=O)[O-])cc1",-6.794914054526608],["C(",-6.810162303632852],["▁CO",-6.811937154233265],["▁O=[N+]([O-])",-6.819300776567244],["c2c1",-6.821292755569891],["CCC",-6.831118734022851],["s1",-6.847275236645659],["c2",-6.860877269680966],["▁CCCC",-6.867293350129639],["▁O=C(O)",-6.890490888485914],["c1cc",-6.914218787525309],["c2ccccc2",-6.9200018832406744],["[C@@H](O)",-6.9362915624805765],["O)",-6.956868197899835],["c([N+](=O)[O-])c",-6.960388028305424],["▁O=C(C",-6.970322736828997],["▁Cc1cc",-6.987489343237483],["▁COc1ccccc1",-6.990919841454836],["C)",-6.992940802516726],["3",-6.9968420011911725],["[C@@H](",-7.007640013681934],["(",-7.008136105571252],["N1",-7.015468059864936],["c2ccccc2)CC1",-7.038759982685363],["n2)cc1",-7.065882761752267],["C(=O)NC",-7.070711382743564],["[C@H](",-7.081558466381592],[")C(=O)O",-7.089680890547989],["c1ccc(F)cc1",-7.090168864648554],["(O)",-7.104232953289877],["CN",-7.112194261907211],["o1",-7.119155589897732],["c2ccccc12",-7.132440923509881],["Cc1ccccc1",-7.147852946587541],["c1cccc(",-7.150709561721397],["CC2",-7.152393468111663],["C(O)",-7.169719415141378],["▁Cc1c",-7.172070900530398],["NC",-7.17869689506462],["▁COc1cc(",-7.202927027908341],["cn1",-7.203274109796304],["C(=O)O)",-7.209496746994102],["▁CC(=O)",-7.214124219870232],["NS(=O)(=O)",-7.221593281478718],["c3ccccc3",-7.224277475859347],["▁CC(=O)N",-7.230424112973576],["▁CC(C)(C)",-7.2359363072959955],["c(=O)",-7.242543177740261],["[N+](=O)[O-]",-7.246547555677669],["c12",-7.248005469826349],["O1",-7.2523692384515535],["C(=O)C",-7.274123926740209],["c(-",-7.279394531776251],["S(=O)(=O)N",-7.280660227375005],["c1ccccc1)",-7.28537654467946],["C(C)C",-7.2865190644569235],["c2ccc(Cl)cc2)",-7.28813901597894],["[nH]",-7.288151633283988],["C(C)C)",-7.290734249406178],["c1=O",-7.302040329163635],["c3cc",-7.309265095803248],["CCO",-7.315011333643177],["c2)cc1",-7.330361839537909],["▁O",-7.342589615997252],["c1ccc2c(c1)",-7.347820055226315],["c3ccccc3)",-7.348706111238261],["Cl",-7.351679027183051],["nc2c1",-7.354153157216691],["cc12",-7.359288293262184],["ccc21",-7.361902226934752],["▁COc1cccc(",-7.364579123085176],["▁N#C",-7.36616370199269],["▁NC(=O)",-7.3743211005839875],["C(C)",-7.376911605077685],["c1cccnc1",-7.381258194944736],["▁O=C(/C=C/",-7.389214012423595],["SC",-7.400433807903396],["▁CN(C)",-7.415082009478856],["▁O=C(NC",-7.4211963892301425],["s",-7.422348768630523],["C=C",-7.4250081693230605],["[C@H](O)",-7.427663474472441],["c2ccc3c(c2)OCO3)",-7.427779916526153],["cc21",-7.432774998867618],["Cl)",-7.4360021738008335],["c1c[nH]c2ccccc12",-7.443906083437256],["C(F)(F)F)",-7.446940755145773],["[C@@H]2",-7.461538955274789],["c1ccc(Cl)c(Cl)c1",-7.461899599654646],["▁C=C",-7.466633165778737],["C(=O)OC",-7.470646954058874],["▁CCO",-7.472609056734239],["C(C)(C)",-7.47430361903703],["nc12",-7.4753657926578],["C2)cc1",-7.4754292306818275],["[C@@H]1",-7.482037123712595],["CS",-7.486497615784901],["c2n",-7.492236752983735],["c2ccc(F)cc2)",-7.497021190707219],["[C@@H](C)",-7.498598074065924],["[C@@H]1C",-7.508813979706349],["c(C)c1",-7.516370742915968],["cc2)cc1",-7.517683865806177],["cc",-7.521506070682849],["C1CCCCC1",-7.52173980592191],["C3",-7.522703584606716],["[N+](=O)[O-])c1",-7.525139699579937],["c3",-7.53020904647876],["[C@H](C)",-7.5395224801638845],["[nH]1",-7.542247439472451],["o",-7.543236454608047],["[C@@H]1O",-7.547796225601104],["C(=O)/C=C/",-7.551429297120726],["CC2)cc1",-7.553647915318994],["cc1OC",-7.5546621949306605],["c1ccc(Cl)cc1)",-7.562155163596429],["nc1",-7.56421388959262],["c1c",-7.566252854768528],["▁Cc1cccc(",-7.567587005381803],["c1cccc(Cl)c1",-7.568109883382047],["▁Cc1cc(",-7.574909063098799],["c(",-7.5845406153677954],["[C@H]1",-7.585311116072541],["▁COc1ccc2c(c1)",-7.58553016044917],["C#C",-7.588433810293147],["[C@H]1C",-7.588662891608195],["▁O=C1",-7.59176220699142],["2)cc1",-7.593984678969419],["n2)c1",-7.5941320884082915],["C(C)(C)C",-7.594921415376179],["ccc12",-7.595691911891384],["ccc1O",-7.603569048390024],["C2=O",-7.6128940383507535],["o2)cc1",-7.61305660271493],["c1ccc(O)cc1",-7.616679853386738],["▁C=CC",-7.617558935738982],["2)",-7.618030346523199],["c2)c1",-7.618523424305888],["c3ccc(Cl)cc3)",-7.630507515624182],["C2=O)cc1",-7.633208104829435],["c2n1",-7.634884493134059],["c3ccc(F)cc3)",-7.637729820663723],["▁COc1ccc(C",-7.639362213048051],["c2c(",-7.639388256787829],["cc(OC)c1OC",-7.640746946301529],["[N+](=O)[O-])",-7.641556575984852],["c3c",-7.644304755727845],["3)",-7.649118892518896],["F)",-7.660980432588688],["C(F)(F)F",-7.66827253731948],["c(OC)c1",-7.673925536824104],["CCN",-7.67519723335175],["▁O=S(=O)(",-7.678080097029928],["CNC(=O)",-7.685993379490357],["▁CC(C)C",-7.691779371737506],["C(N)=O)",-7.696597645913132],["c2ccccc2)c1",-7.697565739518847],["CC(=O)N",-7.702564181886833],["▁COc1c",-7.702712542263562],["▁O=C(O)C",-7.702833487414941],["▁CCCCC",-7.711450069020029],["▁CNC(=O)",-7.716986384493138],["c1ccc(Br)cc1",-7.719086225765555],["/N=C/",-7.720359427705112],["▁",-7.721599361425713],["cc2c1",-7.725704440557394],["▁Cc1n",-7.72917341868504],["[C@H]2",-7.730997310425335],["no1",-7.737244689936268],["n2",-7.739722037026918],["OC(=O)",-7.7416102336623664],["N2",-7.742201443895484],["nn1",-7.742474793774259],["▁Cc1ccccc1",-7.757224196731332],["C(C)(C)C)",-7.757806080876819],["N(C)C",-7.758792540848239],["c1ccc2c(c1)OCO2",-7.760778954525202],["cc2",-7.765101292728086],["N(C)",-7.7652237256681405],["c1ccc(F)cc1)",-7.7660576697663535],["C#N)",-7.77329446250314],["▁NS(=O)(=O)",-7.779858262486867],["c1ccc(C)cc1",-7.782997324721792],["▁O=C1N",-7.785377972782296],["cc([N+](=O)[O-])",-7.785569005090198],["c1ccc(S(=O)(=O)N",-7.796355719580815],["C(F)(F)F)cc1",-7.799737101948227],["[C@@H](C",-7.801232154890295],["C(=O)NCC",-7.804838375364383],["▁CS(=O)(=O)",-7.8051567064459455],["c1ccccn1",-7.811004890992644],["▁CN(C",-7.812801405528678],["C1CC1",-7.816323392725576],["▁CN",-7.818147097588641],["C(=O)N1",-7.821586274899619],["(C",-7.821692490500981],["▁CCOc1ccc(",-7.831280094576679],["s2)cc1",-7.834892653938939],["[C@@H]2C",-7.836135153558005],["nc",-7.838037160550929],["▁O=C(CC",-7.839339385967065],["C(c1ccccc1)",-7.840145985604823],["F",-7.84400027678052],["c3ccccc32)cc1",-7.861546007479875],["=N",-7.862715515400837],[")c1",-7.865433387416554],["-c1ccccc1",-7.868947614464206],["▁COc1ccc(NC(=O)",-7.869883632821389],["(Cl)",-7.877420206108416],["c2ccc(",-7.878321606249394],["▁CC(",-7.879267483079622],[".[Cl-]",-7.884363008708835],["▁COc1cc2c(cc1OC)",-7.884952659684742],["cc2)",-7.887070701743882],["N)",-7.89039259033599],["C1C",-7.893090822381569],["(N)",-7.8938752045543135],["▁CCCCCC",-7.895925578126225],["(=O)",-7.898797065277839],["▁CCN(CC)",-7.901646600870983],["CCCC",-7.909602482244807],["([N+](=O)[O-])",-7.910761183486164],["NC(=O)C",-7.911992669856986],["c(N",-7.915426834823994],["▁Cc1ccc(NC(=O)",-7.919419839408121],["nc21",-7.919464939507432],["[C@@H](O)[C@H]1O",-7.919730960443226],[".[Na+]",-7.919732305113365],["nc(N",-7.921011529126296],["c1ccc2ccccc2c1",-7.922098651949674],["c(C#N)",-7.922338076025357],["/C(=C\\",-7.926630996251066],["cs1",-7.94115969958197],["c1ccncc1",-7.942016063812539],["c3ccccc23)cc1",-7.94522891150823],["C(=O)O)cc1",-7.955681904326862],["c2nc",-7.961725136977351],["N(",-7.964664005383431],[")N",-7.966828836463975],["c2ccc3ccccc3c2)",-7.966996152766283],["CN1",-7.970274957407273],["C(=O)CC",-7.973275051129465],["c21",-7.983356018219055],["▁O=C(NCC",-7.984997321072008],["[C@H]2C",-7.986445939433022],["[C@H](O)[C@@H]1O",-7.989509518894141],["[C@@H]3",-7.992189708457024],["c(O)c1",-7.993401298281046],["▁CS",-7.994285801815001],["c1ccccc1Cl",-8.000803750088906],["▁NC",-8.00714752617905],["N1CCOCC1",-8.007869040208092],["NC(=O)N",-8.011979010132677],["/C(=C/",-8.02176299502992],["([N+](=O)[O-])cc",-8.026341229276678],["N(C",-8.0272834112886],["C3CC(CC(C3)C1)C2",-8.030514771352731],["c1ccc(-",-8.030684347194608],["▁O=C1c2ccccc2",-8.03101602828507],["c1ccc",-8.038289213495656],["c(C",-8.038496250205682],[")c1ccc(",-8.039270655338797],["▁COc1ccc(/C=C/",-8.042813512231088],["c(O)",-8.045071134613819],["C#N",-8.046226625642781],["c1nc2ccccc2[nH]1",-8.046333526542288],["C(N)=O",-8.050651159707058],["c2ccccc2n1",-8.0531946305219],["c1cccc(F)c1",-8.056912922352648],["nc2",-8.05967046906537],["[C@H]1O",-8.065372797572577],["c(Cl)c1",-8.06737691049408],["c2cccc(Cl)c2)",-8.076569904439657],[".O=C(O)C(=O)O",-8.077196775258937],["cc1Cl",-8.079245380647263],["c2ccccc2Cl)",-8.081782236504058],["c(C)",-8.087954961808574],["▁CN1CCN(",-8.088338257026098],["[C@H](CO)",-8.093177169831984],["nc2ccccc12",-8.094230554411535],["C(=O)c1ccccc1",-8.095748034485666],["C[C@@H]2",-8.096057549032013],["c1ccc(OC",-8.096752505799845],["Cc2ccccc2)",-8.09687430107428],["CCC2",-8.097878016222278],["C(=O)N1C",-8.098280832331602],["C1=C",-8.101006119370897],["c3cccc(Cl)c3)",-8.102453058441387],["c3ccc",-8.104298875568162],["▁CCC(C)",-8.104686605600982],["NC(=S)N",-8.105690559721737],[")C2",-8.110496803063791],["▁CN(C)C",-8.111204645962754],["C2CCCCC2)",-8.111512124367533],["▁CC1(C)",-8.113190498582135],["▁CN(C)c1ccc(",-8.114156236388865],["Br",-8.116033874889816],["▁O=C(N/N=C/",-8.122840165857667],["c1ccc2c(c1)OCCO2",-8.126923796269018],["c1ccc(O)cc1)",-8.129833244695464],["▁O=C1C",-8.135113230575577],["C(c2ccccc2)",-8.137715985461657],["c2ccc(O)cc2)",-8.138947265858711],["c2ccccn2)",-8.13953185238778],["sc2c1",-8.140211975060279],["c1ccccc1O",-8.140996526322013],["-c2ccccc2)cc1",-8.142075080214978],["▁COCC",-8.142477973361899],["▁COc1ccc(-c2c",-8.14283116493122],["CCNC(=O)",-8.144693707511832],["CC2)c1",-8.146180085204056],["c1ccc(OC)cc1",-8.147118377078595],["c2cccnc2)",-8.150023703781914],["2)c1",-8.150304148082515],["n(-",-8.150581025707897],[")N1CCOCC1",-8.155836421419355],["(C(F)(F)F)",-8.155850345595855],["(C(=O)O)",-8.158202735645599],["S1",-8.15998503672152],["▁COC",-8.160209043753845],["▁COc1ccc(C(=O)N",-8.162238312962348],["C2)c1",-8.165502402318477],["C1(C)C",-8.168009112231019],["CN(C)C",-8.168652220163661],["C(C",-8.170616253605385],["/C=C\\",-8.174053582765955],[")NO",-8.174116005393456],["c3ccc4c(c3)OCO4)",-8.174330475052248],["=O",-8.175804397742883],["N2C",-8.175980858680731],["COC(=O)",-8.176391246005439],["O2",-8.181665637962205],["▁COc1ccc(OC)c(",-8.182112495279465],["c1cccc(O)c1",-8.182234334607452],["c1ccc(O",-8.182922507608088],["C2CC2)",-8.182965029752827],["▁Cc1ccc2c(c1)",-8.183064858664356],["c1ccc(Cl)cc1Cl",-8.183308143129313],["c1n",-8.183764496453033],["▁CC(=O)Nc1ccc(",-8.189435680552467],["4",-8.191172786538221],["CNC",-8.19228146296224],["C3CC3)",-8.19310418614438],["cc2)c1",-8.19394312309344],["c1ccccc1F",-8.194780237521105],["=C",-8.195303128086447],["N1C",-8.200592323455055],["▁O=c1",-8.200607381658166],["N2CCOCC2)cc1",-8.202331408506065],["CN(C",-8.20716332245386],["(F)",-8.208087151757901],["▁OC",-8.208257027478737],["OC)",-8.208762633094768],["▁O=[N+]([O-])c1c",-8.210190404577702],["ccc2c1",-8.211240229040158],["c2)",-8.215929736783096],["nc2n1",-8.217009060720947],["c2cccc3ccccc23)",-8.220891420253842],["N1CCN(",-8.226614748437118],[")N1CCN(",-8.227021780348688],[")c1ccc(F)cc1",-8.227792210536865],["C2)n1",-8.231056277786267],["▁Cc1ccc(C(=O)N",-8.231193936056329],["c2ccccc2C1=O",-8.236466822602418],["▁CCCCCCCC",-8.236836845413688],["▁Cc1ccc(N",-8.238066082186846],["[C@@H](CO)",-8.238092696397429],["c1ccc(C(=O)O)cc1",-8.238937091840935],["c2ccc(Cl)cc2)cc1",-8.239183816241649],["▁CC(C)(C)c1ccc(",-8.241647112592773],["cc3",-8.24166178389395],["nc2ccccc21",-8.24184258584458],["c2ccc(Cl)cc2Cl)",-8.242983565528206],["c1ccc(NC(=O)",-8.24322777054266],["C3CCCCC3)",-8.243592847799427],["▁CN(C)CC",-8.24369677779063],["n(C",-8.24573171290045],["▁COc1cc(/C=C/",-8.251684229507259],["CC3",-8.252081302295306],["c1cccc2ccccc12",-8.253208824139499],["▁O=C(COC(=O)",-8.254734604580126],["▁COc1ccc(C(=O)",-8.257888546660553],["C(=O)OCC(=O)N",-8.25899348802637],["OCC",-8.259385352350513],["▁COc1ccc",-8.2593881725597],["▁COc1ccc(N",-8.262217422510702],["CN(",-8.262849195416894],["c2ccc(Cl)cc2",-8.267148053087041],["CO)",-8.2671720298407],["C(C)=O)",-8.269150011262045],["c2ccccc2)n1",-8.272159861359459],["O)[C@@H](O)",-8.274170607203338],["ccn1",-8.275392164880271],["c2ccccc2)C1",-8.27657256392082],["c2ccccc2F)",-8.279754094398733],["c2cn",-8.27997802740365],["o2)c1",-8.280341751208868],["c2ccc(F)cc2)CC1",-8.28412302812503],["c1C",-8.284252950401404],[")C",-8.285449691295334],["▁CCN(CC)C(=O)",-8.286647444454116],["▁O=S(=O)(N",-8.286660479625315],["c2ccc(C)cc2)",-8.287186738190055],["▁CCOC(=O)c1c",-8.287538759817501],["c2ccc3c(c2)",-8.291032046241234],["(OC)",-8.292841045281719],["n3",-8.293275069894657],["[n+]([O-])",-8.294554265391472],[")cc1",-8.295769822499697],[")c1ccco1",-8.296182553773612],["c1cccs1",-8.296342372752692],["▁CC1(C)C",-8.298951052658301],[")c1ccc(Cl)cc1",-8.301468789063858],[")c1cccs1",-8.302535523262431],["Br)",-8.305601515936072],["c(C(=O)N",-8.31278545008178],["CCC1",-8.314451437242747],[")CC2",-8.315356655412605],["C(=O)N/N=C/",-8.318844371252045],["cc(-",-8.3194306737973],["c3cccnc3)",-8.320372267627185],["▁O=C(Nc1ccc(",-8.323131306402107],["C[C@H]2",-8.323930154572164],["P(=O)(O)O",-8.326126039671323],["c(=O)[nH]1",-8.328224272157023],["C1CCCC1",-8.328914154377092],["c3n",-8.32973515354473],["CCN1",-8.332941642438232],["c1nc",-8.334008487048798],["C(=O)N(C)",-8.335357961164911],["▁CCCCCCC",-8.342303945105645],["c(=O)[nH]c1=O",-8.343760620466584],[")C1",-8.348124586116839],["▁Cc1cc(N",-8.34908576864359],["c3ccc(C)cc3)",-8.353224359497398],["▁CN1CC",-8.354232613147264],["n2)CC1",-8.354290945786396],["c3c(",-8.355722439819399],[".[Br-]",-8.35998342291726],["C(C)=O",-8.366555639133733],["N=C(S)N",-8.367996927761268],["▁O=c1[nH]",-8.368439511449889],["NCC",-8.371013703390869],["c1ccc(S(=O)(=O)",-8.372324138590514],[")C1CC1",-8.374114719167043],["cc2)CC1",-8.376069445865092],["c(N)",-8.376993275534367],["C(=O)N1CC",-8.377838215154204],["▁C#C",-8.378401674268225],["▁Cc1ccc(C)c(",-8.378410569339486],["[nH]2)cc1",-8.380599479043868],["CN(C(=O)",-8.38186177223028],["c2)CC1",-8.382308776703544],["c2cc1OC",-8.383627218036557],["c2cccc(F)c2)",-8.383802687511004],["▁CCOc1cc",-8.38396848810536],[")C1CCCCC1",-8.389438754094858],["c(C(F)(F)F)c2)",-8.391494906042489],["nc(-",-8.392415183121237],["cc(",-8.39437719888641],["C[C@@H](O)",-8.396138008357745],["C(C)(C)C)cc1",-8.396469495376538],[")N1CCCC1",-8.39878283038681],["c1ccco1",-8.399133246163565],["oc2c1",-8.399308044612958],["C3=O)",-8.402063912612013],["▁Cc1cc(C)c(",-8.402289745179827],["C(=O)N(C)C",-8.404455349216889],[")c1ccccn1",-8.406609460541642],["c4ccccc4",-8.406809916647408],["nn12",-8.407934401510662],["C[C@H]1",-8.409300393419908],["c1O",-8.41230987270701],["nc3",-8.413231213989254],["c2=O)cc1",-8.41484496427216],["c3ccccn3)",-8.415191463354176],["▁N[C@@H](C",-8.415304918568722],["c2cccs2)",-8.418922341112884],["N(C)C(=O)",-8.420656871338393],["CCN1C",-8.421054153690896],["cc3)",-8.422890538556322],["[nH]c1=O",-8.425341283374276],["[nH]c3ccccc23)",-8.425741593979637],["C2)",-8.42779013703274],["C(=O)N(",-8.427947515098872],["▁CC(=O)O",-8.428025273711562],["▁CN(",-8.428303684562021],["CC(",-8.428853158774348],["c3cccc(F)c3)",-8.430777576922347],["▁COc1ccc(-",-8.430955222882682],["C12C",-8.433321504600926],["ccc2",-8.435291921474942],["on1",-8.436001110246167],["(C#N)",-8.436744782414312],["[C@@H]1CC",-8.438745820634692],["cc2)n1",-8.439468407847961],["c2ccc(Cl)cc2)CC1",-8.439775388016324],["CCN(C",-8.440868643689253],["s2)c1",-8.441116234057521],["c(Cl)",-8.441826534118515],["▁Cc1cccc(NC(=O)",-8.442300512638834],["c2ccncc2)",-8.442375605129172],["[C@H](C",-8.443895508437198],["▁O=c1cc",-8.444082776666718],["CC(=O)O",-8.44436769709251],["C(=O)Nc1ccc(",-8.444805122300252],["cc(C(F)(F)F)c1",-8.446307101983246],["▁CN(C)C(=O)",-8.446703285566837],["4)",-8.446929788176288],["c3ccccc3Cl)",-8.45055038770538],["c2[nH]",-8.451127699599589],["/C=N/",-8.45282914420893],["▁COC(=O)C",-8.454407982185536],["▁CCOC(=O)C",-8.456212488089445],["Cc3ccccc3)",-8.459011834956868],["c2ccc(F)cc2)cc1",-8.460126609629935],[")Nc1ccccc1",-8.461606490547313],["▁O=C",-8.462037308413686],["c1ccc(O)c(O)c1",-8.46444323803447],["CCC(=O)N",-8.464905318527293],["C3)",-8.468024731361766],["▁Cl.N",-8.469908841924454],["▁Cc1nc(",-8.470845450201931],[")N1CCCCC1",-8.471045085447784],["CCc1ccccc1",-8.471170803699884],["C(=O)C1",-8.47129812399042],["CCCCC1",-8.473076271801158],["(Br)",-8.473641837107571],["[nH]c4ccccc34)",-8.477177870388658],["(CO)",-8.477262201826658],["cc1F",-8.478850057835311],["▁CC1=C",-8.479018222778947],["CCO)",-8.479094992252257],["CC(=O)O)",-8.480482447184677],["C(=O)N2",-8.480781258739839],["▁O=C(CO",-8.482201908817299],["▁O=C(O)CC",-8.483299156802996],["=O)",-8.483693191976876],["▁CCOc1ccccc1",-8.483718665022305],["▁O=C(Nc1cc",-8.483867763602944],["[C@H](O)[C@H]1O",-8.484437258176088],["▁CCc1ccc(",-8.49082493532903],["C2=O)",-8.491344283303341],["C(=O)Nc2ccc",-8.49183464293506],["c(F)c1",-8.492589912225192],["c(-c3ccccc3)",-8.49392060147442],["▁CC1C",-8.495676167959068],["▁CC1",-8.49668779905792],["c1cc(Cl)cc(Cl)c1",-8.497030744627835],["c1cn",-8.499164743337214],["C1CCN(C",-8.508519534926107],[")C2=O",-8.510307440963562],["CC(O)",-8.516989972089966],["▁COc1ccc(CC",-8.517549443301636],["[nH]c2c1",-8.519087188889607],["C(=O)Nc1ccccc1",-8.520796873560055],[")C(C)C",-8.521668642906981],["c1ccccc1Cl)",-8.523287253785323],["Cc2ccccc2)CC1",-8.524265511341827],["▁Cc1cc(C)cc(",-8.524808197561473],["/C=N/NC(=O)",-8.526586853951667],["CO1",-8.526798076346891],["[C@H]3",-8.526939845515349],["▁CN(C(=O)",-8.52940735711583],["c2ccc(OC",-8.529602870342014],["C(=O)OC)",-8.531115858945043],["▁Cc1ccc(C",-8.532366144359123],["[C@@H]3C",-8.533359651350217],["O[C@H](CO)[C@@H]",-8.53513538099396],["c2ccc(Br)cc2)",-8.541570429256936],["c1ccc2c(c1)OCO2)",-8.542763127205504],["c1ccccc12",-8.543923860010185],["N(C(=O)",-8.544284395811195],["CC2)n1",-8.545458097188815],["▁COC(=O)c1c",-8.545643322563443],["n2)",-8.548563592237379],["N1CCCCC1",-8.549593962444707],["c1nc(-",-8.550139174237529],["[nH]n1",-8.551090784420387],["N1C(=O)",-8.55133543528261],["▁N#Cc1ccc(",-8.551535111889553],["▁C[C@@H]1C",-8.552517657283925],["C[C@@H](",-8.553354294578146],["(N",-8.554098282569651],["c(OC",-8.55464769833215],["C2(",-8.555546708513686],["(C)C",-8.557867324313301],["c1cccc(Cl)c1)",-8.564192041850289],["▁COc1cccc(C",-8.564818538211561],["C(C)C)cc1",-8.565847620089741],["▁Cl",-8.565946515043981],["(c1ccccc1)",-8.567378129836687],["nc1N",-8.568623208381485],["N1CC",-8.56899675740391],["c3ccc(O)cc3)",-8.569566720413107],["C(=O)N(C",-8.570084315556915],["CC2)",-8.570772945198646],["▁O=C(O)c1c",-8.571471517294807],["nc1C",-8.574859822495775],["nn2)cc1",-8.575176743420183],["c3ccccc3)CC2)cc1",-8.575219542128943],["c3ccncc3)",-8.575950623458617],["1)",-8.576079401616116],[")c1cccnc1",-8.577308131702566],["C(=S)N",-8.579997869400444],["c2ccccc2c1=O",-8.580452713900712],["C=C1",-8.58086069697542],[".[I-]",-8.581854752859087],["C2=N",-8.582032911144667],["▁Nc1cc",-8.582969162762847],["c3ccccc3F)",-8.584353212970582],["▁CS(=O)(=O)N",-8.587925425767299],["▁Cc1c(",-8.588247285276866],["c(-c3ccc(Cl)cc3)",-8.58865229796605],["▁N#Cc1c",-8.593020544401645],["c2nn",-8.594791980249125],["cc1[N+](=O)[O-]",-8.596214310027403],["C2C",-8.596547665458253],["▁CNC",-8.59659872208583],["▁CN1C",-8.59673237802413],["o2)",-8.601736672854138],["C23CC4CC(CC",-8.608858351552174],["C(N",-8.60949347828659],["[C@@H]12",-8.60996627119919],["c3nc",-8.611104297578565],["c2ccc(OC)cc2)",-8.611174494737966],["c1C#N",-8.61202948126654],["c1cccc(-",-8.612598987386345],["S(=O)(=O)NC",-8.613040534261687],[")c1ccncc1",-8.615299927887374],["C2CCCCC2)cc1",-8.617784237537647],[")C(=O)",-8.619566194596255],["n1-c1ccccc1",-8.620301061048673],["/C=C/c1ccccc1",-8.622045904465129],["C[C@@H]1",-8.622597117833745],["CC3)",-8.624378578891307],["c1cccc(Br)c1",-8.624908721988978],["c1cccc(F)c1)",-8.625026318555385],["(-",-8.625101161932502],["N(C)C)",-8.625916890742369],["C(=O)N2C",-8.626139824985799],["▁CN1C(=O)",-8.627028150276747],["OC1=O",-8.630038163737307],["ncn1",-8.634165196845604],["▁CC(C)NC(=O)",-8.634325590341973],["c(O",-8.637325393695825],["c1ccc(-c2cc",-8.639576496787747],["▁NCC",-8.641412423429273],["N2CCCCC2)cc1",-8.642341808675255],["c2ccc(Cl)c(Cl)c2",-8.643829158415116],["▁CCNC(=O)",-8.645939214364072],["cc1O",-8.646735363984671],["C1(",-8.648128627272744],["c2C1",-8.648151302773314],["n3)",-8.64962611686773],["C(S)=N",-8.651050852469925],["▁CC(C",-8.651106181794834],["CCCO",-8.651565037954434],["C(=O)COC(=O)",-8.651833251554663],["CCCCC",-8.652760834975194],["oc12",-8.65284901576316],["c2ccc(-c3ccccc3)",-8.654625436270006],["c2nc3ccccc3",-8.658455974634297],["c1Cl",-8.658949344497694],["▁C[C@@H](",-8.66004224794657],["n12",-8.662689234118771],["c1cccc(NC(=O)",-8.667176234871878],["n(C)c1=O",-8.668346297983858],["C(=O)N[C@@H](C",-8.668460200170221],["c3ccccc23)",-8.669169832864391],["▁CCCNC(=O)",-8.669584436959973],["▁Cn1c",-8.67012005250386],["S(C)(=O)=O)",-8.670870624508254],[")C(F)(F)F",-8.673002408606745],["c(-c3ccc(F)cc3)",-8.67424291401447],["cn",-8.675093998445233],["C(=C",-8.675463056862156],["([N+](=O)[O-])c",-8.676094810292835],["▁O=C(c1ccccc1)",-8.676116198620736],["C(=O)OCC",-8.676231500104095],["▁COC(=O)c1ccc(",-8.682355284958671],["NC(=O)CS",-8.684604750280151],["▁FC(F)(F)",-8.687454840234075],["▁Nc1ncnc2c1ncn2",-8.68764649541392],["O)cc1",-8.68892640373086],["c2cccc(",-8.689009701548926],["C(=O)O)c1",-8.692387060190908],["c1cc(-",-8.692968831355202],["s2)",-8.696962253565859],["CCCC1",-8.697060847106702],["C(=O)N2CC",-8.697382265458359],["c1ccsc1",-8.697538855662042],["nc1O",-8.6989348893168],["▁COc1ccc(-c2n",-8.70002813744814],["[nH]c(=O)",-8.702638393506916],["(O",-8.702968779517034],["Cc2ccccc2)cc1",-8.710522617428637],["(C(=O)N",-8.71228601657193],["▁CC1(",-8.712818484365012],["▁O=C(Nc1ccccc1)",-8.713315115630312],["C(=O)N1CCCC1",-8.713465731487958],["c2cc(Cl)ccc2",-8.71368457607673],["S(C)(=O)=O",-8.7160636824151],["ccc3",-8.716078097593922],["▁COc1ccccc1N",-8.716285632673461],["C2=O)c1",-8.71777718984894],["c1c(",-8.721282041654266],["n2n1",-8.721664238629875],["▁Nc1n",-8.722164908088057],["ccc2[nH]1",-8.723934758314797],["C(=O)N1CCN(",-8.724622608544674],["▁COc1cc(C",-8.727025103816962],["c2ccco2)",-8.72774695638142],["▁COc1ccccc1C",-8.729276248725686],["n[nH]1",-8.72933197355162],["c2s",-8.730032980931181],["C[C@H](O)",-8.73359388017834],["(S(N)(=O)=O)cc2)",-8.733822148095559],["▁Cc1ncc(",-8.733902268135852],["▁CC(NC(=O)",-8.734375592205108],["▁CSc1n",-8.735816324685082],["C(O)(",-8.73899104446625],["c2)n1",-8.739776954222503],["/C=C/C(=O)",-8.739830008705137],["C(O)C",-8.7416766499902],["CN1C",-8.743475395094695],["▁COCCNC(=O)",-8.743784214966904],["C(F)(F)",-8.74387534726885],["▁Cc1cc(C)",-8.744571712375752],["▁O=C1CC(",-8.744853849530134],["C1CC",-8.746783831238716],["CCS",-8.747798889553671],["▁O=C1/C(=C/",-8.751055891958902],["c1[nH]c2ccccc2c1",-8.754237373405463],["o3)",-8.754884384342159],["C2=C",-8.756252449042059],["c3cccs3)",-8.75637164016456],["C2(C)C",-8.758225182672945],["2)CC1",-8.75871477188614],["ccc1Cl",-8.75977751045335],["▁C=C1C(=O)O",-8.762961610916786],["c3ccc(OC)cc3)",-8.763010734907937],["c2ccc(O",-8.76650704207632],["▁C[C@H]1C",-8.76759608473045],["c1c[nH]",-8.769082254600288],["▁c1ccc(",-8.770373129762948],["S(=O)(=O)c1ccc(",-8.771352532449393],["c2ccc(O)c(O)c2)",-8.772066533918334],["c1ccc(Cl)c(",-8.77313531921616],["▁Nc1ccc(",-8.774477972633235],["[S+]([O-])",-8.77683378084756],["c(OC)",-8.778072677397393],["NC(=O)CC",-8.779594922923655],["C3CCCC3)",-8.780981780954408],["▁c1ccc(C",-8.781260764319821],["▁Cc1ccc",-8.783433293145732],["CC(C)C)",-8.784368826806237],["s3)",-8.7850788487257],["▁Cc1ccc(C(=O)",-8.786316050942563],["▁CCCCCCCCCCCCCCC",-8.786817183513724],["c2o",-8.787037505988724],["▁COc1ccc(CNC(=O)",-8.78836727343321],["c3cc(O)ccc3",-8.788741727182481],["C(=O)O1",-8.79076692816238],["c(Br)",-8.792261467448334],["CC(C)(C)",-8.793080207309316],["▁COc1cccc(NC(=O)",-8.793487012124272],["▁C/C(=N\\NC(=O)",-8.794309145831996],["c2ccccn2)cc1",-8.797594834573925],["C3=C",-8.79766818206566],["c3cc(Cl)ccc3",-8.79944673096614],["S(N)(=O)=O)cc1",-8.800137254414084],["c(-c3cc",-8.800627616404224],["c3ccccc3n2)cc1",-8.801515539808221],["C(=N)N",-8.802954123552375],["c2cccnc2)cc1",-8.803419560038895],["c1ccccc1OC",-8.804657765674628],["c(C(=O)",-8.806406270589306],["C[C@H]1O",-8.808893140273053],["▁CC(C)(C)OC(=O)N",-8.811853936654135],["c2ccc(C)cc2)cc1",-8.812690572192098],["(C(N)=O)",-8.814712354151732],["c1ccccc1-2",-8.817424769194306],["c1ccc(-c2ccc",-8.818829491804195],["▁Cc1cccc(N",-8.819246393704208],["c1cccs1)",-8.819796529513948],["c1cccnc1)",-8.820370501136779],["(CC)",-8.82218395453543],["▁O=C(CS",-8.822608351995262],["[C@H]3C",-8.823604499218558],["▁O=c1[nH]c(=O)n(",-8.82455070293021],["[C@]1(",-8.825651069005453],["C=O)",-8.828762010763345],["nc(N)",-8.829709299808524],["▁CCC(=O)N",-8.83101042732039],["▁C[C@]12CC[C@H]3",-8.832273004054874],["▁Cc1ccccc1NC(=O)",-8.832421600640506],["▁C=C(C)",-8.834653143449955],["(c2ccccc2)",-8.836913247697622],["12",-8.837058755203325],["5",-8.83754484939609],["c2cc(-",-8.837641648051353],["c1ccccc1)C(=O)O",-8.837864274826337],["c1ccc(C#N)cc1",-8.838350427915662],["c1cc(",-8.838608459686297],["C(Cc1ccccc1)",-8.839169136617373],["▁F",-8.839769620219995],["▁CN1",-8.840889557713403],["Cc1ccc(",-8.842059668319607],["c3ccccc32)",-8.842939810179988],["c3ccccc32)c1",-8.842944835551656],["c(NC",-8.843608307037776],["c1ccc(NC(=O)N",-8.843850838336888],["▁Cn1cc(",-8.846151579671524],["C1CCN(",-8.84627597057515],["c1ccc(N",-8.846933639362053],["▁CCN(CC)C",-8.84779207741849],["Nc1ccccc1",-8.848127487770483],["▁O=C1Nc2ccccc2",-8.849153199502112],["C3=O",-8.851272563955371],["c3)",-8.85204911813724],["[C@@H](O)C",-8.85241306082127],["C[C@H]1C",-8.853474483221866],["c1c(-c2ccccc2)",-8.853736811621763],["[C@H]1CC[C@H]2",-8.855122777959155],[".O=C(O)C(F)(F)F",-8.85514668364913],["CCCN",-8.856309172147476],["C2CCCC2)",-8.856724878988153],["c3ccc(O)cc3",-8.859582423198802],["c1ccc(C",-8.859616329144046],["C=C2",-8.859670637882576],["▁O=C(OC",-8.860405341450868],["▁Cc1cc(C(=O)N",-8.862612950929293],["▁CCN",-8.86291530569336],["▁COc1ccc(Cl)cc1",-8.862935603015924],["C(=O)NNC(=O)",-8.86377289302332],["▁Cc1cc(NC(=O)",-8.864142909884274],["N1CCN(C",-8.864271733032913],["c1cc(-c2ccccc2)",-8.86430352040583],["c3ccccc3)CC2)",-8.865079601136358],["N=C",-8.867622155876377],["cc2s1",-8.867965724595233],["cc23)cc1",-8.86827596304456],["▁O=C(NCc1ccccc1)",-8.87120847405107],["▁Cn1",-8.871466878220122],["N=C(",-8.873233468688895],["[C@@]1(",-8.873380885552638],["NC(=O)COC(=O)",-8.874900259959011],["CCCCCC",-8.876083512556828],[")c1cc",-8.876722208700752],["NC(=O)c1ccccc1",-8.876893095092715],["C(=O)NCc1ccccc1",-8.878063127412556],["▁Cn1c(=O)",-8.880899371292536],["c3ccccc23)CC1",-8.88094591122117],["▁CCCN(CCC)",-8.881178987896352],["▁CCC(CC)",-8.883235740414804],["▁O=C(O",-8.884237569752052],["C2CC",-8.884956023058482],["C)cc1",-8.887114116474688],["▁O=C1CC",-8.887505640769826],["CC)",-8.888819524766516],["C1CC1)",-8.888896379537712],["C2)C1",-8.889538029986273],["C1CCCCC1)",-8.890118311103787],["▁C[C@H](",-8.890120604588413],["N=N",-8.892496802559354],["c1ccccn1)",-8.89313820066418],[")N1CC",-8.89365459427139],["C(=O)Nc1cc",-8.894253676892877],["c2nc(-",-8.89455414596165],["[C@@H]2O",-8.894888308255428],["(C)C)",-8.895201249606885],["CC(C)C",-8.895336528073454],["c1ccccc1)N",-8.895874217855628],["N2C(=O)",-8.896204596471232],["c2cccc(C(F)(F)F)",-8.896752755964561],["c2ccc(NC(=O)",-8.89728288557297],["c2ccccc2-",-8.897492932436894],["▁Clc1ccc(",-8.897734756009054],["▁Cc1[nH]",-8.900226608733789],["▁N#C/C(=C\\",-8.90056305176816],[")CCCC3",-8.900679356980838],["C1=N",-8.903269741586016],["[C@H]1CC",-8.903559730135298],["c2ccc(-",-8.903756147661703],["▁Cc1cccc(C)c1",-8.904920507414893],["C(C#N)",-8.906008522642686],["▁O=C(O)c1ccc(",-8.909887033718388],["▁Fc1ccc(",-8.910389844047778],["(=O)c1ccccc1C2=O",-8.911097840669214],["N1CCCC1",-8.9117734258943],["/N=N/",-8.912784775959913],["c2nc(-c3ccccc3)",-8.914167779579643],["▁CCCCCCCCCC",-8.914770770646928],["C(c3ccccc3)",-8.915956844598377],["c(NC(=O)",-8.91636438663431],["Oc1ccccc1",-8.916385610716892],["sc2",-8.916515424023773],["c2C)cc1",-8.917192888116446],["c2ccc(F)c(F)c2)",-8.918284439468508],["Cc1ccccc1)",-8.919936383441746],["S1(=O)=O",-8.920521627902001],["▁O=C(O)c1cc",-8.920589199112069],["▁CCCO",-8.921151146978659],["▁N#CC",-8.921537638842624],["▁Oc1cc",-8.922230441053483],["OC1",-8.922461027012753],["2)C1",-8.922523461174446],["N2CCCC2)cc1",-8.92341632849481],[")OCO3",-8.924815888311736],["[C@H](O)[C@H](O)",-8.924835334221179],["c2cc(OC)c",-8.925866456329429],["O)c1",-8.926882658137192],["▁COc1ccc(CCN",-8.928561889672228],["c2=O)",-8.92895536124297],["ccc1F",-8.92974163515158],["c2ccc(N(C)C)cc2)",-8.929781249277646],["nc(",-8.93053108757787],["c(-c2ccc(Cl)cc2)",-8.932614070977905],["c(O)c",-8.934624384115223],["[C@H](C(=O)O)",-8.93479525710038],["(CC(=O)O)",-8.934857448215915],["c(=O)n(C",-8.935569839072532],["OC2",-8.936113688673505],[")n1",-8.93621414991688],["[C@@H]2CC",-8.936314475621565],["▁COc1ccc(-c2cc",-8.939363322467772],["CN(C)",-8.939863424594627],["[C@H](O)C",-8.941152901454407],["[nH]2)c1",-8.941625576545913],["c4ccccc43)",-8.943294725259197],["N(Cc1ccccc1)",-8.944267635614656],["/C(=N\\O)",-8.945528974908175],["CN2C",-8.946504079384916],["C12",-8.948088494913485],[")CC1",-8.948538692472622],["c2ccc(F)cc2",-8.948713036080786],["▁Cc1ccc(-c2c",-8.950682846560515],["c(=O)c2c1",-8.955221572931686],["[C@H]12",-8.955346117826673],["▁CC(=O)c1c",-8.955840017065391],["▁CC(C)(C)OC(=O)",-8.955918607273581],["c[nH]1",-8.956941978882089],["▁CC(C)(C)NC(=O)",-8.957031150604085],["=C(",-8.958196154655393],["▁CC(C)c1ccc(",-8.959398487405412],["c2ccccc2C)",-8.960195584614729],["▁c1cc",-8.96023307133498],["C(=O)c2ccc",-8.960786300280764],["CN1CC",-8.961077123058548],["▁COc1ccc(CN",-8.962269764400062],["O2)c(=O)[nH]c1=O",-8.962436982070109],["CCN2C",-8.962460992129264],[".Cl.Cl",-8.9627019476515],["c1nc(-c2ccc",-8.96278937309476],["CCc2ccccc2)",-8.963095508532101],["▁O=C(Cc1ccccc1)N",-8.96372883787997],["=C1",-8.965046125741523],["▁CCN(C",-8.967841867391575],["CCC3",-8.972424916824442],["n2C",-8.972779745419208],["c1ccc(N)cc1",-8.97307259213381],["C[C@H](",-8.973983592272601],["N=C2",-8.975663543319822],["▁CCCCCCCCC",-8.976569851318377],["n2cc",-8.977109813597643],["[N+](=O)[O-])o1",-8.978348465902595],["c1c(Cl)cccc1Cl",-8.978647891411741],["▁COc1cccc2c1",-8.97945612231955],["▁CCCCNC(=O)",-8.979774267915861],["▁COc1cc(OC)c(",-8.97994591718383],["c2cccc(O)c2)",-8.980667550003233],["N1CCC(",-8.981617920130127],["=N1",-8.98181320670255],["CC1=O",-8.982675136148162],["▁CC(C)N",-8.982718778141358],["cc(OC)c1",-8.98343147210537],["▁C[C@H]1",-8.98445517590347],["▁CCCCCCCCCCC",-8.987387688009315],["c1ccc(OC)c(OC)c1",-8.987867188761905],["▁Cc1noc(C)c1",-8.988628141369059],["▁Clc1cc",-8.989880138646532],["▁Cn1c(",-8.990121069901056],["▁C=C1",-8.990730327598179],["2)n1",-8.990939130021111],["▁Nc1c",-8.99121552192804],["c2ccc(Cl)cc2)c1",-8.9926765176516],["c(-c3ccc(O)cc3)",-8.992914002530982],["N2CCOCC2)",-8.994093456194506],["c2nc3ccccc3s2)",-8.994372910490764],["(-c3ccccc3)cc2)",-8.994853845941847],["c2c(Cl)cccc2Cl)",-8.996301191078306],["C2CCN(C",-8.997071212224563],["c3ccc(Cl)cc3",-8.997118875621757],["c2ccncc2)cc1",-8.997186715043274],["c3c2",-8.997371094705532],["CN1CCCC1",-8.998569187164648],["▁CCS(=O)(=O)",-8.998583599045531],["c2c1C",-8.998601259045833],[".",-8.999518267103575],["CCNC",-9.000659311548201],["cc1C",-9.001317015207093],["C2)CC1",-9.004580197857054],["(C(F)(F)F)cc2)",-9.006031581449045],["Nc1cc",-9.007013535841342],["▁COC(=O)c1ccccc1",-9.0081739502053],["(C(C)C)",-9.008185028436197],["CCN2",-9.009839029831616],["c3ccc4ccccc4c3)",-9.010757949486347],[")O2",-9.011914761593191],["C(=O)CS",-9.013081183063417],["C[C@H]21",-9.013768361163793],["n(-c3ccccc3)",-9.014037421516775],["C(=O)N(C)C)",-9.014260620295149],["c2cc(Cl)cc(Cl)c2",-9.01445010511076],["▁COc1ccc(OC",-9.014814544169171],["(Cc2ccccc2)",-9.01517690015626],["▁CSc1ccc(",-9.01644718018776],["c2ccc(Cl)cc21",-9.016671518749174],["[C@@H]1CCCN1",-9.016763082216674],["C[C@H]2[C@@H]3CC",-9.016777935390644],["▁CN(C)S(=O)(=O)",-9.01714390145615],["[C@@H]21",-9.01742871542118],["▁COc1cccc(C(=O)N",-9.01773245813817],["▁CC(=O)OC",-9.018590472590454],["▁COc1cc(OC)cc(",-9.019295803790992],["CCN(",-9.021548059161992],["cc2n1",-9.022098490520364],["c3ncccc3",-9.022333666149338],["n2c1",-9.022847148783873],["I",-9.023250546971257],["(/C=C/",-9.023423312707315],["c2ccccc2N1",-9.024812414526462],["ccc2n1",-9.02552494472041],["c1OC",-9.02660373520401],["C[C@H]3",-9.0269229878846],["▁CCc1cc",-9.027463192069716],["O3)",-9.0290998863397],["CN1C(=O)",-9.029481193021107],["▁CCN1CCN(",-9.031169886669662],["C=C(",-9.032976955914418],["O2)",-9.03389661461686],["C1CCN(C(=O)",-9.03397446650477],["c2cc(",-9.034645308770855],["cn12",-9.036723376675088],["c1F",-9.03766842602024],["c2cc(Cl)ccc21",-9.038901888925746],["▁CN(C)CCNC(=O)",-9.040361560089464],["▁Cc1",-9.040909643202223],["▁Cc1ccc(OC",-9.041952698588098],["▁CCC(",-9.041996674060403],["n1ccnc1",-9.042159484027238],["C(C)(C)O",-9.042491275358492],["c23)cc1",-9.04476458159846],["c3ccccc32)CC1",-9.045369507314884],["NS(=O)(=O)c2ccc",-9.045377011295852],["CCCC2",-9.045685400305228],["[C@@H](C(=O)O)",-9.04573236662442],["c2ccc(OC)cc2)cc1",-9.046596088177768],["▁c1ccc2c(c1)",-9.046883847437591],["c1cn(C",-9.04693780071426],["ccc1=O",-9.048126510360024],["S(C)(=O)=O)cc1",-9.04898985072936],["▁CN(C)CCC",-9.049155897595565],[")OC",-9.04970377086516],["▁COc1ccccc1CN",-9.04984193488507],["CN1CCCCC1",-9.050118725008144],["c1ccc(C(=O)N",-9.051106362827138],["c3ccccc23)c1",-9.05260228384289],["CN2",-9.053776183779588],["c(-c2ccc(F)cc2)",-9.05561454972213],["▁CCN(CC)c1ccc(",-9.05567797601773],["n2nc",-9.056354058367306],["[C@H](Cc1ccccc1)",-9.05712859421319],["c1ccccc1Br",-9.057883865225886],["no2)cc1",-9.058624143602469],["/C(=N/O)",-9.05890765229548],["▁C[C@H](NC(=O)",-9.059401650073909],["nc1-c1ccccc1",-9.059498833663222],["c(F)",-9.059636892612398],["c2ccccn2)CC1",-9.060508401434928],["c2ccc(C#N)cc2)",-9.060541600269756],["▁CCc1c",-9.060629950531348],[")C(N)=O",-9.06094177664954],["▁Cc1nn(C",-9.063925634881132],["▁CC(C)=CC",-9.06426944301367],["▁CC(C)OC(=O)",-9.066821551438958],["C1=CC(=O)",-9.06794675783294],["▁CC(C)(C)c1cc(",-9.068590729446957],["C3)cc1",-9.06921885939454],["c(C(=O)O)",-9.069291747300396],["c1cccc(O",-9.06954101234021],["CO2",-9.069760969348264],["COC",-9.07039549958279],["C[C@@H]3",-9.070745344590891],["N2CC",-9.071671696406712],["SCC(=O)N",-9.072844575911075],["▁CCCCOc1ccc(",-9.072875899667334],[")C(=O)N",-9.073141361529776],["/",-9.074275511377902],["▁CCN1CC",-9.074284414717216],["[nH]2)",-9.076016101709737],["c1ccc(-c2c",-9.076321518250634],["▁CCOc1ccc(NC(=O)",-9.07863424228753],["c(=O)[nH]",-9.078795788039706],["C4)",-9.08098143016597],["▁Br.C",-9.081194568664875],["▁CC(C)=C",-9.081222634198555],["c(C)c",-9.082088697439303],["cn2)cc1",-9.082690650682448],["[C@@H]1O[C@H](C",-9.082905184388554],["CC(O)CO",-9.083203429490784],["CN1CCN(",-9.083228688836726],["▁Cc1cccc(C)c1N",-9.083365807000636],["c1ccc(F)cc1F",-9.085647198700247],["c2ccc(O)cc2)cc1",-9.086722674510996],["(Cl)c(Cl)c2)",-9.087145253526764],["C(CO)",-9.088025908613844],["c3cc(OC)c(OC)cc3",-9.089598975807682],["▁O=C(c1cc",-9.08978054900441],["c1ccccc1C(F)(F)F",-9.089861891830369],["C(=O)c1cc",-9.091802263238591],["▁COc1ccccc1-",-9.091910502678026],["c2[nH]c3ccccc3c2",-9.092813953142413],["C(=O)Nc2cc",-9.092816606680952],["▁CC(O)",-9.094168885477798],["C(=O)c2ccccc21",-9.09441556170186],["▁CC(=O)c1ccc(",-9.094420733241684],["c2ccc(C(F)(F)F)c",-9.094511524630557],["▁N#Cc1cccc(",-9.094816844204168],["S(=O)(=O)O",-9.096266363561291],["▁C=C(",-9.096753750155736],["c2c[nH]",-9.096955690511892],["CCO1",-9.097240880333247],["[C@@H](NC(=O)",-9.09733993948814],["CCN(C)C)",-9.09743324184468],["▁COc1ccc(C2",-9.09747779618954],["cs2)cc1",-9.097711923271635],["c2ccc(F)cc2F)",-9.098165980212446],["N3CCOCC3)",-9.09855565043398],["c1ccccc1F)",-9.099023345950162],["NC(=O)CO",-9.099219110065931],["c1cccc2c1",-9.099501333596365],["[C@H]2CC",-9.099888358977594],["▁Br",-9.100075520324111],["[C@H]",-9.100093891599094],["c4ccccc4)",-9.100337025920243],["▁N=C(N)N",-9.100449115411912],["c3ccco3)",-9.100465689289496],["/C=N/N",-9.104040557797902],["Sc1ccccc1",-9.104407143999502],["c3cccc4ccccc34)",-9.105133669118716],["CCN1C(=O)",-9.105586779738909],["c(C)n1",-9.106337600577865],["▁O=C(NO)",-9.10655596879193],["▁CCCN",-9.106786704070126],["CCC(=O)",-9.106978328829245],["C(=O)NC(C)",-9.10702200340178],["[C@]2(",-9.107075493475792],["▁CC(C)C[C@H](N",-9.107293095718536],["\\",-9.10922901364541],["▁CC(C)O",-9.109750978483545],["CC(C",-9.11004609010492],["C(=O)N1CCCCC1",-9.110514226798312],["c2ccc(C(=O)O)cc2",-9.111377010959751],["c1cccc(S(=O)(=O)",-9.112600848369594],["▁CCOC(=O)N1CCN(",-9.113021625824349],["c3cccnc3",-9.113129358997115],["c2cccc(C)c2)",-9.113129645518704],["c2nc(-c3ccccc3)c",-9.115375858609314],["C(O)(C(F)(F)F)",-9.11555159096016],["ccc1",-9.116444964368194],["(OC)c(OC)c(OC)c1",-9.119416194104556],["C(=O)N2CCN(",-9.119956641886748],["c3cccc(C)c3)",-9.120628392458784],["▁C=CCO",-9.121957667861247],["/C=N/O",-9.122345007899558],["cc2[nH]1",-9.122368963314134],["▁COc1cccc(N",-9.122931681847051],["▁COc1cccc(CN",-9.123225927005432],["c2cc(F)ccc2",-9.124092582656871],["NC(=S)NC(=O)",-9.126073191638516],["▁CN1CCN(C",-9.127601946605369],["nc2s1",-9.128700570831674],["C2)cn1",-9.128909526638804],["▁CN(Cc1ccccc1)",-9.129513950576108],["c1nc2ccccc2n1C",-9.131427559811456],["(C4)C2)C3)",-9.132698491802904],["▁COc1cc(NC(=O)",-9.13321224689464],["c2ccccc2O)",-9.133638105614487],["C(=O)c1ccc(",-9.13404822931194],["c1nc2ccccc2s1",-9.134796685967224],["▁CCOC(=O)C1=C(C)",-9.136229596764544],["c1ccncc1)",-9.136324559600068],["▁CC[C@H](C)",-9.137450425040743],["C(C)=C",-9.137592157892344],["c1ccccc1)C2",-9.137679879179602],["▁CC(C)CC",-9.13801977935852],["CN(C)C)",-9.138223676492233],["▁Oc1ccc(",-9.138372222823325],["c(C)c2c1",-9.140181109010909],["O[C@@H](",-9.14039603566772],["c1ccc(-c2n",-9.1404470205516],["N2CCC(",-9.140660125824551],["c2cc3c(cc2",-9.141929014552812],["[C@@]12C",-9.142380241057856],["c3cn",-9.143301141695268],["C(=O)OCC)",-9.143355616037864],["c2ccccc2)s1",-9.144067436181658],["c2ccc(-c3cc",-9.14534644703598],["c(-c3ccncc3)",-9.146950419242962],["▁CCc1n",-9.147071875443494],["C(=O)CO",-9.147417696304036],["▁Cc1nc(N",-9.147819410944823],["/C(C#N)=C/",-9.149414738114285],["n2)C1",-9.149673096261388],[")CCC2",-9.149932840515849],["c2cnc",-9.150862633895876],["c3ccc(C#N)cc3)",-9.153389514478803],["▁O=C(Nc1ccccc1",-9.15371590121223],["CC[C@@H]12",-9.154216836869386],["C2)no1",-9.154376837162356],["c1ccoc1",-9.155059422478786],["n(C)",-9.156185434818134],["c1cccc(Cl)c1Cl",-9.156932523734575],["Cc2ccccc2)c1",-9.157338867107992],["c1cc(Cl)ccc1O",-9.15762651033284],["c(C(=O)NC",-9.158149022261998],["c1ccc(Cl)cc1)N",-9.158209344416434],["c2cccnc21",-9.158877962385052],["C[C@@H]12",-9.160252326443857],["c(N)n1",-9.160793985399868],["▁N#Cc1cc",-9.161400401615785],["▁C/C(=N\\N",-9.161919573927452],["NC1=O",-9.162405646757795],["▁CN1CCC(",-9.16272239815098],["▁CCN(CC)CC",-9.163199876220885],["C(=O)/C(=C/",-9.163554682380394],["/C1=C\\",-9.164241499650078],["c1cccc(C)c1",-9.16429080816065],["c1ccc(Br)cc1)",-9.16605149032577],["c2cccnc2",-9.166356128036629],["C4",-9.16762856700964],["c(Cl)c",-9.168378330973695],["▁CCCCCCCCCCCCC",-9.168448741928389],["c2ccc(S(=O)(=O)",-9.169016720286413],["c3ccccc3C)",-9.169305938813412],["N1CCN(C(=O)",-9.16937417654656],["[nH]3)",-9.173014507777529],["c2ncc",-9.173265738456342],["CC2=O)cc1",-9.173959566123091],["▁NC(C",-9.174091932391594],["c1ccc(Cl)cc1Cl)",-9.174760258344415],["cn2)",-9.176106555178926],["O[C@H](CO)",-9.17714399689143],["[N+](=O)[O-])cc2",-9.178053931598456],["n2C)cc1",-9.178250092060086],["c1cccc(C(=O)O)c1",-9.178629764018568],["cc2C1",-9.179413940858131],["c1s",-9.179599479239783],["c1nc(-c2ccccc2)",-9.179646541557542],["C(=O)OCC(=O)",-9.1806947127439],["c(=O)n1C",-9.181556767386596],["(=O)c2ccccc2C1=O",-9.182425920016076],["SCC",-9.182954917954516],["▁O=c1o",-9.18436809498666],["c3cc4c(cc3",-9.184464852855497],["▁Cc1noc(",-9.18601178145352],["nc2cc(Cl)ccc12",-9.186080115386916],["oc2ccccc12",-9.18655783551936],["[C@H](C)C",-9.18788989301309],["▁Cc1ccc(CN",-9.188824525684964],["c(OC)c1OC",-9.189321408845082],["[nH]c2ccccc12",-9.18971921759893],["c2c(C)c",-9.19064415055379],["(CC",-9.19085799477109],["c1cc(-c2ccccc2)n",-9.191462629026798],["C3C",-9.192048895675562],["[C@H]2O",-9.192457726337183],["Cc2ccc",-9.192532955011348],["(C(=O)OC)",-9.192851679470747],["c(-c2ccc",-9.19312351114482],["▁CC(N",-9.194260692220702],["/C(=N\\",-9.19428213262444],["nc(NC",-9.195167501573524],["CN(C)C(=O)",-9.195168962594856],["C(=O)N1CCC(",-9.19584745234279],["C(N)=O)cc1",-9.195852861896334],["c1cccc2ccccc12)",-9.196255800364908],["Cc1ccc(F)cc1",-9.1965697716479],["5)",-9.197288173677528],["nn2)",-9.197688089190333],["▁O=C(CN1C(=O)",-9.197760450578173],["(OC)c(OC)c2)",-9.198884269076077],["nn",-9.20057112854747],["▁C/C=C/",-9.20084825889263],["c2cccnc2)c1",-9.201162667272698],["▁Cc1ccc(CNC(=O)",-9.201203490029467],["COc1ccc(",-9.201713079190858],["/N=C\\",-9.202673643251185],["C(C)C)c1",-9.203345017342066],["cc(C)",-9.203682436244383],["C1CCN(S(=O)(=O)",-9.204969534371036],["c2ccsc2)",-9.205409536370174],["c(=O)c12",-9.206078283523034],["c3ccc(F)cc3",-9.207149210876398],["c1nc(",-9.207150698929595],["cccc(C(F)(F)F)c1",-9.207823724257846],["[C@@H](O",-9.210242422955783],["▁COc1cc(C(=O)",-9.210728471168688],["c2cccs2)cc1",-9.210853348850884],["OC(C)(C)",-9.21126941714843],[")NC1CCCCC1",-9.212111379716236],["▁Cc1ccccc1C",-9.213383466768756],["(S(C)(=O)=O)cc2)",-9.214713236258332],["C[N+](C)(C)C",-9.216025199936912],["c2ncn",-9.216657702361797],["nn1C",-9.21721955947545],["c1ccc(F)c(F)c1",-9.21783682783832],["▁N=C(N)",-9.21792014254234],["3c(c2)OCCO3)",-9.2185143389231],["cc2[N+](=O)[O-])",-9.219435508670408],["c1cc(Cl)ccc1",-9.220393807352329],["c4cc",-9.220989792140916],["▁CCC(=O)",-9.221114366099744],["c2c(cc",-9.221169611625168],["c1ccc2ccccc2c1)",-9.222025580989502],["N/N=C/",-9.222068027341152],["▁CN(CC",-9.222701475882063],["▁Fc1cc",-9.22312097849044],["sc12",-9.223372192336546],["C(CC(=O)O)",-9.22349072610593],["▁OCC",-9.2239014578019],["C[C@@H]1O",-9.224166745230397],["[C@H]3CC[C@@]21C",-9.225206331186646],["c1ccc(C(F)(F)F)c",-9.225967392740724],["N3C",-9.22680248047891],["c(N)n",-9.226958752681114],["c2[nH]1",-9.227507997946038],["C(F)F)",-9.227613862123343],["c1-c1ccccc1",-9.227670099402298],["[nH]c12",-9.228386052028064],["c3ccc(",-9.228446045000304],["[C@H](NC(=O)",-9.228621497034798],["CC[C@]4(C)",-9.229026757875374],["N2CCN(C",-9.229327157296751],[")S(C)(=O)=O",-9.229419893724993],["▁Cc1c(C(=O)N",-9.229426385631658],["c1cccc(OC)c1",-9.22949392712102],[")P(=O)(O)O",-9.230769207552688],["c(-c2ccccc2)n1",-9.230979392429385],["C[C@@H]21",-9.231016336932072],["c3cccc(O)c3)",-9.2325757277783],["(CCO)",-9.232807297135023],[")c1ccccc1Cl",-9.233228394078154],["▁C=C1C",-9.23373188663033],["▁CC(=O)N[C@@H](C",-9.235132365811564],["c2ccc(Cl)cc2)n1",-9.235190556706357],["oc1=O",-9.235542616356842],["[Se]",-9.235727284630045],["▁O=C1NC(=O)",-9.236188314809231],["c2cccc3c2",-9.236731944526127],["▁COc1cccc(OC)c1",-9.236965619415209],["▁Cc1cccc(C(=O)N",-9.238327799344324],["CCN(C(=O)",-9.2387358379327],["(C(=O)",-9.238921093624583],["c2ccc(C(F)(F)F)",-9.239470991959926],["C1O",-9.239993681759678],["▁C#CC",-9.240016585339305],["([N+](=O)[O-])c1",-9.24023768597829],["c2cc(-c3ccccc3)",-9.241502612545704],["CSC",-9.24170670027491],["n2)n1",-9.24246040268172],["▁NC(=O)c1c",-9.242672265248416],["(CCC(=O)O)",-9.243317095064532],["C1=NCCN1",-9.243431680326063],["▁CCCCOC(=O)",-9.243474661967308],[")c1ccccc1F",-9.24382780782905],["C2CC2)cc1",-9.24413588413664],["c2nc3ccccc3[nH]",-9.245384749182492],["S(=O)(=O)N(C)C",-9.245707449255503],["▁CCCCO",-9.24709006939515],["C(NC(=O)",-9.247998881428488],["c2cc(Cl)c",-9.248017142793492],["CC4)",-9.24874116275146],["▁CC1CCN(",-9.249417490328684],["▁N#Cc1ccccc1",-9.249679648336445],["n(",-9.249903119593997],["cc2)C1",-9.25073347389052],["O2)cc1",-9.250783841990431],["(=O)n(C)c(=O)n2C",-9.25174801855331],[")c1ccccc1O",-9.25323478874663],["C=O",-9.253524684181036],["c1cncc(",-9.253674977131851],["c(=O)o1",-9.254072488263162],["CN2CC",-9.255894106292857],["NC(=O)c1c",-9.25705517049632],["c(C(F)(F)F)c1",-9.257728297039089],["N2CCOCC2)c1",-9.257840762960118],["[C@H]1O[C@@H](n2",-9.258016721423395],["c(C(F)(F)F)c3)",-9.258685510664796],["[C@H]21",-9.258740339364936],["-2",-9.258898667134693],["▁CCOC",-9.259106784432172],["▁CCOC(=O)c1ccc(N",-9.259311095283133],["(NC(=O)",-9.260122259667313],["▁O=c1c2ccccc2",-9.260447555008668],["NC(=O)/C=C/",-9.261375003016784],["▁CC1(C)CC",-9.261729282348462],["(OC)c(OC)c3)",-9.26365232369883],["c1cccc2cccnc12",-9.264757703637322],["[C@@H](N)C",-9.26572543438538],["▁CCCCN",-9.266300992856555],["[C@H](O)[C@@H]",-9.267787274616976],["c1ccc(O)c(",-9.267809124752986],["c2nc(C",-9.270043953432658],["C1CCCC1)",-9.27073495838553],["C(=O)OC(C)(C)C)",-9.27159212406562],["c1ccco1)",-9.273237947573808],["▁O=C(CNC(=O)",-9.2743744465688],["c2ccccc2Cl)cc1",-9.274932331961937],["▁Cc1cccc2c1",-9.27604716374985],["▁Cl.",-9.277505869745134],[")C(C)(C)C",-9.27783331842695],["c2cc(C)",-9.27805679046488],["▁C[C@@H](NC(=O)",-9.278221249367531],["▁Cn1nc(",-9.278471669236485],["▁Cc1cccc(C",-9.279059839335094],["/C=C/C=C/",-9.27929039344324],["▁CCCOc1ccc(",-9.279315073597433],["C(=O)NC(=S)N",-9.279350004298834],["n1C",-9.279472879426637],["/C(=N/",-9.279520132189786],["COc1cc",-9.279810875519887],["Oc2ccccc2)cc1",-9.280007495412534],["[C@H]2C1",-9.280353219534248],["[C@@](C)(",-9.280361055542134],["c3cc(F)ccc3",-9.280518870105167],["c1nnc(-",-9.281158381721726],["c1ccc(N(C)C)cc1",-9.281636188419956],["O[C@H](",-9.282080599977045],["c2ccccc2F)CC1",-9.282297175446224],["▁CCCCCCCCCCCC",-9.282478316644134],["CCc3ccccc3)",-9.28402864953184],["▁O=C(Nc1ccc",-9.28486082733189],["c(=O)oc2c1",-9.285737403536572],["C2CCCCC2)CC1",-9.285894581171544],["C1=C(",-9.287736730217048],["[C@@]2(",-9.288332300598626],["▁CC1=N",-9.28858341048054],["[C@H]1CO",-9.289067761845033],["▁CCCC(=O)N",-9.289889613040682],["C1CCNCC1",-9.291385957309258],[")OCC",-9.29176419965449],["[C@@H]4",-9.292951425122151],["C(F)(F)F)c1",-9.29332246211014],["▁C[C@]12CC",-9.29358727512258],["▁[N-]=[N+]=N",-9.293752346781798],["c2nc(-c3cc",-9.294718093153923],["n(-c2ccccc2)n1",-9.294902680495976],["▁Cc1nn(C)c(C)c1",-9.2962013122821],["c3ccc(F)cc3)CC2)",-9.296469695108255],["[C@@H](O)[C@@H]1",-9.297399681088764],["nc3ccccc23)cc1",-9.297582989338837],["c1[nH]",-9.29762611173186],["c2c(F)cccc2F)",-9.2977849204925],[")NCc1ccccc1",-9.297799285306716],["c(C#N)c",-9.29926278921876],["CN1CCOCC1",-9.299431757735729],["c2ccc(F)cc2)c1",-9.300178114329348],["c1cccc(C",-9.301194701305924],["▁CCn1cc(",-9.302513000406126],["C(=O)[O-])",-9.302964959438633],["sc2n1",-9.30416237530758],["c3nn",-9.304228236633062],["▁CCOc1cc(",-9.30565952475222],["Cc1c",-9.30575844817681],["c1cc2ccccc2[nH]1",-9.306343774278162],["ncnc21",-9.306493009312666],["(OC",-9.307463649518118],["[C@H](N)",-9.308756945548073],["cccc12",-9.308955277053478],["▁COC(=O)CC",-9.30930587145522],["c4ccc",-9.31030189491573],["Cc1coc(-c2ccc",-9.310465959115716],["▁O=C(NC1CCCCC1)",-9.310869982821908],["▁Cl.NC",-9.31134937614797],["▁CC(C)(C",-9.31174086516043],["c4c",-9.312075059944943],["▁c1c",-9.31235328710779],["CCN1CCOCC1)",-9.313471573216257],["NC(=O)[C@@H](N)C",-9.31352511143674],["cc23)c1",-9.31369830848141],["n2)cn1",-9.314249922196554],["C(=O)NO)cc1",-9.314782598071009],["▁Cc1cc(-",-9.316197349569276],["c(/C=C/",-9.31720828196848],["c3ccc(Br)cc3)",-9.317248263586624],["▁Cc1csc(",-9.318367555343738],["C(C)O",-9.318404291222354],["N=[N+]=[N-])",-9.318552532368358],["Cn1c",-9.318602457954732],["OC(C)=O)",-9.32001816889953],["▁COc1ccc(/C=N/N",-9.320242912161808],["c(C(F)(F)F)",-9.320370167946166],[")c1cccc(",-9.321740788168164],["OC(",-9.322580728751706],["C(N)",-9.323384430203816],["NC(=O)c1ccco1",-9.323677918116676],["C[C@@H]1[C@@H]2C",-9.324595711483424],["C(=O)Nc2ccccc2",-9.326428685464467],["cc4",-9.326579807668985],["▁O=C(CCCCCC",-9.326842249315453],["ccc1C",-9.326934574247613],["▁Cc1ccccc1C(=O)N",-9.32708183802466],["▁C=CCNC(=O)",-9.327510059378902],["=C2",-9.32758999948221],["▁CCOC(=O)c1cn",-9.328076351600725],["C21",-9.328346181536569],["c2)C1",-9.329766326893084],["P(=O)(O)O)",-9.32991501879136],["▁O=C(NC(=S)N",-9.330383266061208],["▁CN(CC(=O)N",-9.331220677606236],["▁NC(=O)C",-9.33160404014423],["/C=C/c2ccccc2)",-9.332365992595658],["c2c3c(",-9.33302036988464],["N(Cc2ccccc2)",-9.333144430364142],["c1cc2c(cc1",-9.333202039521238],["c(C(=O)O)c",-9.334488504162282],["C(=N",-9.33459846348832],["c2cc(OC)c(OC)cc2",-9.33494613654922],["/C=C(\\C#N)",-9.335420705646875],["c(-c3ccc",-9.335694294559593],[")N1C",-9.33637904507777],["C2CCCC2)cc1",-9.336462168648428],["C(=O)c2c",-9.336554187874212],["Cn1ccnc1",-9.337300655084858],["[C@@H]3O",-9.337345667354002],["Cc1ccc(Cl)cc1",-9.337386098199836],["▁C[C@@H](O)",-9.338604257307349],["/C=C(\\",-9.33896517282325],["[C@H]3CC[C@]12C",-9.339423458864363],["o2)CC1",-9.340210696213314],["c(C(N)=O)c",-9.340856658288557],["c2cccc(Br)c2)",-9.340958411527488],["c1nnc(",-9.3412031829198],["N1CCNCC1",-9.341473072306757],["[C@H](c2ccccc2)",-9.34177918403369],["▁CCOC(=O)N",-9.34201086774987],["▁Oc1n",-9.342310520648113],["▁CC(C)C(=O)N",-9.34323747397288],["[N+](=O)[O-])n1C",-9.343715913575792],["▁COc1ccc(NC(=O)C",-9.344537624180347],["CCC(=O)O)",-9.344562394739144],["cc1Br",-9.344839245007464],["co2)cc1",-9.345380276041212],["-c1ccc(",-9.345777552931494],["▁COC(=O)c1cc(",-9.346133409098822],["ccc1[N+](=O)[O-]",-9.346696363949796],["c2cccc(Cl)c2)CC1",-9.347486417640088],["▁Cc1cccc(OC",-9.347503754402544],["(C(C)=O)",-9.347531268011496],["▁O=C1O",-9.347625151545955],[")Cc1ccccc1",-9.347831171058868],["NC(=O)c2ccc",-9.348333181085811],["▁CN1CCN(C(=O)",-9.348628021825965],["▁Cc1ccccc1OC",-9.348971699347963],["c2c(F)cccc2Cl)",-9.35022551977281],["c(Br)c1",-9.351367005657073],["c1ccc2c(c1)C",-9.351478373961584],["C(=O)N1CCC[C@H]1",-9.351702859539484],["▁Cc1cc(C)cc(N",-9.351859904588032],["nn23)cc1",-9.352844730236246],["[C@](O)(",-9.353805483746154],["C(=O)NC1CCCCC1",-9.35439168153786],["N2CCN(C(=O)",-9.35459640087912],["cc2C1=O",-9.354700067711764],["CC2)CC1",-9.35485673928842],["▁CC(=O)c1cccc(N",-9.355750953946824],["▁COC(=O)[C@@H]1C",-9.35577851553617],["▁S=C(N",-9.355972635071035],["C[C@@H]1C",-9.356164306610983],["NC(=N)N",-9.35699444328311],["[C@@]1(C)",-9.35701931389253],["CCN)",-9.357210670770108],["c2cccnc12",-9.357385852596789],["c2ccc(Br)cc2",-9.357595807978717],["c2ccc(N3CCOCC3)",-9.358294368999031],["▁CCN(C(=O)",-9.358440271779545],["c2ccc(O)cc2",-9.35869539543048],["[C@H]4C",-9.358849918328024],["c2c(C)n",-9.3588880439968],["c2cc(-c3cc",-9.358896135741087],["▁C=CCN",-9.359040723521968],["▁Cc1nc",-9.359261558441773],["c1cc(-c2ccc",-9.36081484838019],["-c1cc",-9.361537159463683],["Cc1ccc2c(c1)OCO2",-9.361787314794654],["C[C@H]12",-9.364586100386012],["(OC)c(OC)c2)cc1",-9.365756629983885],["▁Cc1ccc(-",-9.365958708652943],["c3ccccc3n2)c1",-9.366287071460896],["▁COc1cc(N",-9.367065987018751],["SS",-9.368703654718956],["=C(O)",-9.368891594545394],["c2cccc(Cl)c2)cc1",-9.369470984017031],["[C@@H](O)[C@@H]2",-9.369932550727956],["▁C[C@@H]1",-9.370354377655753],["C4CC4)",-9.370457386562762],["c1ccc(O)c(O)c1)",-9.37054871754875],["c2cc1C",-9.37143150928694],["N2CCCCC2)",-9.37197320956454],["C(=N)",-9.372413698750268],["nc(N)n1",-9.37283400910561],["c(=O)o",-9.372908683295035],["[C@](C)(",-9.373502348026353],["C2=C(",-9.3741315179842],["CC#N)",-9.37458736019827],["(C(C)(C)C)",-9.374696380413916],["▁CC(=O)N1N=C(",-9.375648955593531],["▁CCN1C",-9.375752736325614],["▁O=C(NCc1ccco1)",-9.376100914989742],["▁Cc1cc(C)nc(N",-9.376778033877828],["sc3",-9.376900400201356],["c(F)c",-9.377397586112409],["▁O=",-9.377534742746532],["▁CCCOC(=O)",-9.377799670140377],["Cn1cc",-9.37798019694404],["▁Cc1cc(=O)oc2cc(",-9.378268193081247],["COc1ccccc1",-9.378299985355024],["s2)CC1",-9.37897684670066],["▁NS(=O)(=O)c1cc",-9.379933790636326],["c1ccc2c(c1)C(=O)",-9.38027689485574],["c2ccc(F)cc2)C1",-9.380400355201765],["c(C(N)=O)",-9.380684917683318],["c2nc(-c3ccccc3)n",-9.384755683707509],["c1ccc2ccccc2n1",-9.385448017852358],["c1c(O)",-9.387118626308313],["▁O=C([O-])",-9.387149091962485],["▁Cc1cnc(",-9.387192897935511],["c3ccccc3c2=O)cc1",-9.387671143662027],["[C@@H]2C1",-9.388194056507796],["nc(SC",-9.38822802035171],["c1cnc(",-9.38831624246873],["▁Cc1ccc(-c2n",-9.388324516597208],["cc(N",-9.38868485895623],["▁COC(=O)c1cc",-9.389427523012492],["c3ccc(C(=O)O)cc3",-9.391858507715703],[")S(=O)(=O)",-9.392032785002716],["▁CC(=O)Nc1cc",-9.393016241427532],["CC[C@]2(C)",-9.393187726723651],["C2C1",-9.393319303669482],[")CCC3",-9.393481280064393],["C3CC",-9.39391762984918],["▁CCn1c(",-9.393953413571708],["▁O=C1C=C",-9.394894566330438],["c(CN",-9.395654605411432],[")c1cccc(Cl)c1",-9.397337338049086],["CCC(=O)O",-9.397651618404389],["▁COc1ccc2c(c1)CC",-9.397873205818073],["c(N)c",-9.398070034002464],["c(=O)n(C)",-9.398190610755565],["C(=O)NCCC",-9.398398496664951],["c2ccc(C(=O)N",-9.399390882699103],["c(-c2ccccc2)",-9.399588847947284],["▁O=C(CCC",-9.399627421762975],["c2ccc(Cl)cc12",-9.399734540620544],["N=",-9.400171981017138],["c2ccccc2OC)",-9.400176403008563],["▁CN(C)c1cc",-9.401042313740817],["cc(C(=O)N",-9.40171276284942],["C(=O)c1c",-9.40209934561884],["cc(O)",-9.403537476251053],["▁COCCN",-9.403861043982277],["C1CCC1",-9.404171781506385],["[N+](=O)[O-])c1)",-9.404923374055894],["C(=O)/C=C/c2ccc",-9.40538343240409],["c1o",-9.405694602804438],["-c1c",-9.405799581998547],["C2CCCCC2)c1",-9.406936668822423],["c1[N+](=O)[O-]",-9.407087187039808],["c1nccs1",-9.407190279743592],["c23)c1",-9.407430689293328],["▁NC(=O)c1cc",-9.408037064977355],["c1ccc(S",-9.408073349021777],["C2CC3CC(C2)CC1C3",-9.408109116322384],["c1c(F)cccc1F",-9.408868004065653],["c2cc(C)cc(C)c2)",-9.408939804306875],["▁CSc1ccccc1",-9.40912857803041],["c(C)c2",-9.409329097069245],["c(=O)oc12",-9.40997148887512],[".[Na+].[Na+]",-9.410183222681695],["/C1=C/",-9.410338130588991],["C(C(=O)O)",-9.410464698236922],["▁Cc1nnc(",-9.410546392038546],["c1ccc(F)cc1)N",-9.411118766485927],["c2ccc(F)cc21",-9.41197185251146],["c2ccccc2F)cc1",-9.41270589989681],["▁O=C(CSc1n",-9.412901475975476],["OCc1ccccc1",-9.4136008529515],["ccnc2c1",-9.414121267557958],["▁NCCC",-9.416687208995024],["c2ccco2)cc1",-9.41718150057751],["c2nc3cc",-9.41725985031567],["C(c2ccc",-9.41744857798048],["CCN(C)C",-9.41768747212728],["c1cc(Cl)ccc1Cl",-9.417737043592004],["▁c1ccc(-",-9.419776418425544],["C(=O)C=C",-9.420204703117484],["▁COc1cc(OC)",-9.421345052686725],["▁O=c1cc(-",-9.42157393249198],["[C@H]1CC[C@H](",-9.422262560982194],["NS(=O)(=O)c1ccc(",-9.422275092830755],["c2cc(C)n",-9.422554193025656],["c2cn(C",-9.424783003486592],["▁O=C(O)c1ccccc1",-9.424795023106874],["c3ccccc3C2=O)cc1",-9.42513556224602],["c1cc2c(",-9.425354438719497],["c2)cn1",-9.425411362073344],["▁CC1CN(",-9.425992153272588],["▁CC1(C)O",-9.427958014125243],["nn2)c1",-9.428000356890273],["▁Cc1ccc(NC(=O)N",-9.428153550631787],["C)c1",-9.428227252566993],["c2ccc(F)cc2)n1",-9.428846775742356],["n1cc",-9.43010892181448],["c(C)o1",-9.430892631961305],["▁CC(=O)N1CCN(",-9.431929966609584],["▁CC(=O)c1ccc(N",-9.432232413067055],["SC1=S",-9.43240740394977],["CC3)cc1",-9.433052212943164],["CC[C@@]2(C)",-9.433056994971311],["c(S",-9.433590193770106],["c2c(-c3ccccc3)",-9.433956973175002],["c1cnccn1",-9.433987793479297],["c3ccccc3C2=O)",-9.434531010943331],["c3ccc(Cl)cc3Cl)",-9.43510442643542],["▁Clc1ccccc1",-9.43575853362395],["N1CCN(S(=O)(=O)",-9.435982867327064],["C(=O)c2ccccc2)",-9.436308416934994],["c(SC",-9.436359427451247],["c1ccc(C(C)C)cc1",-9.43651019058268],["c2ccc(N",-9.436518021328151],["cn2)c1",-9.43662808640591],["I)",-9.43678342077991],["n2c(=O)",-9.436884329302202],["c2ccc(S(=O)(=O)N",-9.438291999290058],["▁c1ccc(CN",-9.43832890955693],["N2CCN(C)CC2)",-9.43839801676436],["S2",-9.43910712607921],["N=C(N",-9.43924347625784],["c2ccc(OC)c(OC)c2",-9.439941761124508],["O3",-9.440597070315077],["▁CC(=O)NC",-9.4409261684578],["c1ccccc1.Cl",-9.441696178264422],["C2CC(",-9.442674745778731],["[C@@H](C)C",-9.442827947806414],["▁CCOc1ccc(N",-9.443282796426368],["▁CC(C)(O)",-9.44389549715897],["c2=O)c1",-9.444864039242342],["c2cc(C(F)(F)F)c",-9.445568012307676],[")c1c",-9.446499471532263],["C(C)(O)",-9.448189570226068],["[C@]12C",-9.44983879394881],["c(O)c2",-9.44991480913468],["▁COc1ccc(NC(=O)N",-9.450352891068905],["C2CCN(",-9.45065349062424],["S(=O)(=O)NCC",-9.450687287078289],["NC(=O)c1ccc(",-9.451694649880343],["▁O=C1CCC",-9.45173721839246],["c1c(O)cc",-9.45176275930709],["[C@@]2(C)",-9.451892216140958],["C1c1ccccc1",-9.452431678381886],["▁O=C(/C=C/c1ccc(",-9.452688825381117],["c2ccc(C)c(C)c2)",-9.453194401109691],["/C(C)=C/",-9.453867849173443],["c(-c2cc",-9.453986533899323],["ccc2o1",-9.454331098261438],["nc1-2",-9.455466182073923],["▁NNC(=O)",-9.455610158839736],["[C@@](C)(O)",-9.455611158651545],["sc1C",-9.456182468313411],["oc2",-9.456313378684197],["▁C=CCN1C(=O)",-9.456731079780573],["(C(=O)NC",-9.456770404643056],["c2ccncc2)c1",-9.459202973576224],["c1nccn1C",-9.45938665013842],["c2ccc(C(C)C)cc2)",-9.459858844770675],["c(C(F)(F)F)c1)",-9.461058044299158],["▁CCC(C)NC(=O)",-9.462190527620647],["CC2)nc1",-9.462579366834971],["▁Cc1ccccc1-",-9.462763309849786],["[C@@H](c2ccccc2)",-9.463147517308284],["▁O=C(c1ccc(",-9.463379348884056],["c3[nH]",-9.46374598697788],["[C@]1(C)",-9.46437286587543],["c1ccccc1-",-9.465435551442663],["C1CC(",-9.466136656643624],["CC[C@H]21",-9.466577655427638],["O[C@@H]2",-9.466694544210506],["n(C)c(=O)",-9.467529798646334],["2CCCC2)",-9.468336416219298],["n(-c2ccccc2)n1C",-9.469285236651867],["=",-9.469778324361144],["C(=O)c2cc",-9.470002912616524],["c2ccc(Cl)cc2)C1",-9.47028787715362],["▁O=C(CN",-9.47084928656762],["C2CC2)c1",-9.470931239295604],[")NC",-9.47158362021896],["c2[nH]c",-9.471875228414373],["C1CCCN(C",-9.47203705338799],["CCNS(=O)(=O)",-9.472039634352642],["NCc1ccccc1",-9.47252463888029],["c2cccc(OC)c2)",-9.472617854205955],["=NO1",-9.473754352134367],["▁Nc1nc(N",-9.47454429684419],["C2CCC2)",-9.475383787691776],["nn2",-9.47550529657957],["c1c(F)c",-9.47562303979931],["▁CC(C)CNC(=O)",-9.476182300112274],["CC[C@@H]2",-9.47653675346213],["c(=N)",-9.47674864751015],["▁Cc1ccc(NC(=O)C",-9.476815677043902],["nc2ccccc2c1=O",-9.47699812716013],["c2ccccc2)C1=O",-9.477077484232922],["CNS(=O)(=O)",-9.477301327748346],["▁CC(C)c1cc(",-9.478301791619018],["CCN2C(=O)",-9.4790172855675],["[nH]2)CC1",-9.479461227484096],["c1cccc(OC",-9.47983757372404],["cc2N1",-9.48076726343063],["▁COc1ccc2cc(",-9.480825606879964],["c2cccnc2)CC1",-9.48097528011764],["c2ccccc2O",-9.481133929496965],["Nc1ccc(",-9.481150424585364],["▁c1ccc(N",-9.48183370626865],["C2CCCN(C(=O)",-9.482218472180485],["CCCCCCC",-9.482302466985589],["cc(OC",-9.482987210448236],[")c1ccc(O)cc1",-9.484842293550152],["(S",-9.48492101489169],["[nH]c1",-9.485480748747616],["[C@](C)(O)",-9.486526764119352],["▁CC1=C(",-9.486683573823624],["ccc1OC",-9.487168901395396],[")Nc1ccc(",-9.487864725809263],["c2ncccc21",-9.48841945618225],["c2ccoc2)",-9.489243643664178],["S2)cc1",-9.489451927601824],["cc2Cl)",-9.489672597785624],["c4",-9.490267456903307],["CCN1CCOCC1",-9.490486804444496],["C(c1ccc(Cl)cc1)",-9.490577415545577],["c2no",-9.490601698742148],["c3cccc(OC)c3)",-9.49087221942052],["CC[C@H]2",-9.49095634788357],["▁CC(O",-9.491218805943827],["N(C(C)=O)",-9.491710638561932],["▁O=C(O)c1cccc(",-9.49304841731526],[")OCO2",-9.493594115938746],["[C@H]1C[C@@H]1",-9.493861197516631],[")C(=O)N2",-9.495690364097587],["▁c1ccc(-c2c",-9.496262953112794],["▁COc1ccc2c(",-9.4963287121962],["C(=O)N2CCCC(",-9.497446874556909],["c2ccccc2Cl)CC1",-9.49797949764242],["▁O=C(O)/C=C/",-9.498324270916973],["c1cc(C(F)(F)F)",-9.49932290112203],["▁CCc1cc(",-9.499361735903896],["▁N=C(N",-9.499987250119672],["CC=C(C)C)",-9.500279066760388],["c1nc2c",-9.500427239473971],["C1CCC",-9.500549809124156],["[C@H](O",-9.500660106246873],["on2)cc1",-9.500948805259526],["C(C)(C)O)",-9.501036674204112],["(O)[C@@H]1O",-9.501171760343068],["c2nc(-c3ccc",-9.501495716421424],["▁Cn1nc",-9.502182734788605],["CC[C@@H]21",-9.503336815289222],["C2CCCN(C",-9.503477141990889],["C[C@@H](C)",-9.503746090253788],["NC(",-9.504015760836673],["c2nc(C)",-9.504430797036305],["S(=O)(=O)N2CC",-9.505037757079952],["▁Cc1nc2c(",-9.505968292276142],["NC(=O)c2c",-9.506535886120693],["/C(C",-9.5075206806969],["c(=S)",-9.507553463687604],["oc3",-9.50771934871267],["C3)c1",-9.509022039272692],["cnc21",-9.510248077480515],["NC(C)=O",-9.511185322677475],["c(-c3cccc(Cl)c3)",-9.511945680939291],["▁CCOC(=O)C1CCN(",-9.512467243093711],["c2sccc2",-9.512522507785508],["[C@H]4",-9.512570470751136],["c2nnc(-c3ccccc3)",-9.512682806739043],["cn3)",-9.513055682953052],["▁COc1cccc(/C=C/",-9.513424006775796],["▁O=C(CCc1ccccc1)",-9.513768324290837],["C5",-9.51463212022332],["c(-c3c",-9.514657154350513],[")N(C)C",-9.514970391225194],[")c1ccc(Br)cc1",-9.5150213605928],[")c1cccc2ccccc12",-9.515322822919629],["[C@@H](c1ccccc1)",-9.51577395186175],["C[S+]([O-])C",-9.516092325009328],["▁COc1cc(-",-9.51757256815057],["c(=O)n2C",-9.518186805911096],["c1ccccc1C(=O)O",-9.518619784545765],["c2cc(F)ccc21",-9.520028873776637],["▁COc1cc(-c2c",-9.521131279331868],["▁CCN1C(=O)",-9.52194054598568],["/C=C(/",-9.522333857168672],["C(=O)N1CCOCC1",-9.523307065860289],[")c1ccc2ccccc2c1",-9.524165672874163],["c2cccc(C#N)c2)",-9.525764917392864],["▁CCOC(=O)C1CCCN(",-9.52596861235186],["c3[nH]c4ccccc4c3",-9.52645743785121],["c2nc3c(",-9.527720091297056],["▁Fc1ccccc1",-9.527911003294854],["▁C[C@H](N",-9.528280216681114],["c2nccs2)",-9.528459903467173],["▁COc1ccc(-c2cc(",-9.5286603003195],["c1c[nH]cn1",-9.530119581881582],["c(C)n",-9.530733223060595],["c(C(F)(F)F)c",-9.530770765417763],["▁CCCc1n",-9.530855670415187],["c2ccc(C",-9.531251367812958],["[C@@H]1CO",-9.531344728691394],["▁N[C@H](C",-9.532340303025874],["[C@@H](N)",-9.532456800524304],["C(c2ccc(Cl)cc2)",-9.532779847346331],["c1ncc(",-9.532967889199131],["[nH]c3",-9.533198181517594],["[nH]c1ccccc12",-9.533559547004437],["c2ccccc2C1",-9.5337496957006],["[C@@]1(O)",-9.533870448715652],["[C@@H](OC(C)=O)",-9.534300767890915],["Cc1ccco1",-9.534352345836403],["▁Cc1ccsc1",-9.534515664461596],["▁CC(C)(C)C",-9.535039949229583],["CN(S(=O)(=O)",-9.535814244741744],["nc1-",-9.537992768459404],["c1cc(O)cc(O)c1",-9.538017145276251],["C1)",-9.53841711547398],["nc(C",-9.538526793358766],["c(C=O)",-9.538642871582647],["C1CCCN(C(=O)",-9.539296443250116],["c2ccccc2)o1",-9.53965486684604],["C2CCS(=O)(=O)C2)",-9.53969321605462],["c(CC",-9.540626210810522],["[C@@H]1CCC2=O",-9.540723913665545],["c1cccc(C(=O)N",-9.541274629331326],["c2c1=O",-9.541500505035794],["c(S(=O)(=O)",-9.541582134076773],["n1cn",-9.541609235705916],["c1ncccn1",-9.541613218502128],["-3",-9.541702739538],["C2)o1",-9.541889201539794],["c(=O)n1",-9.54193406709841],["C(=O)C(",-9.54253193212562],["c2ccc(C)cc2",-9.542622390900664],["▁COc1cc(C(=O)N",-9.54275286308376],["c2c(C)",-9.543229880443649],["▁COc1ccccc1OC",-9.543273149871688],["c1ccc(F)cc1Cl",-9.543439732007736],["cs2)c1",-9.543568937114134],["c3ccccc3OC)",-9.54377328851157],["c(=O)[nH]c2=O)",-9.543976690700706],["▁CN(C)CCO",-9.54471135200642],["▁CSC",-9.544763252183788],["c1cc(C)",-9.544768766828188],["▁COc1ccc2[nH]cc(",-9.544857233910786],["▁Cl.O",-9.54583594972545],["C2(C",-9.546789182682666],[".[K+]",-9.54688633051788],["cc2c1=O",-9.547577702016966],[")NCc1ccco1",-9.54790012957465],["3CCCCC3)",-9.54797452475535],["▁CCCN1CC",-9.548418486660935],["c1c(C)cccc1C",-9.548453832483723],["C[C@H]1C(=O)O",-9.548727975470596],["c4c(",-9.548950538795271],["c2ccccn2)c1",-9.549496720674828],["c(O)n",-9.550584513024384],["▁O=C(O)CCC",-9.550950367520883],["cc(Cl)",-9.5518029025334],["C(=N)N)",-9.55195238782242],["OCCO",-9.552283420012074],["▁O=C1C=C(",-9.552316346302424],["c(=O)c2ccccc12",-9.552497531237558],["CN2C(=O)",-9.552591862624126],["(NC(C)=O)",-9.552643947184707],["Cc2ccco2)cc1",-9.553127133129705],["Oc1ccc(",-9.554363260241066],["c(N)c1",-9.55479851761856],["▁CCS",-9.55565221094563],["Cc1cccs1",-9.555938373174872],[")cc1OC",-9.556443713643764],["CC(O)C",-9.556485649171329],["▁Cc1ccc(O",-9.556681290946363],["C1=O)",-9.557179361035278],["c(Br)c",-9.557650499422966],["cnn1C",-9.558169536213374],["[C@@H]1C2",-9.558369338131875],["c1cccc(C(F)(F)F)",-9.558733687636373],["/C=C(\\C)",-9.558804266833118],["OC(F)(F)F)cc1",-9.558827352256618],["c3ccc(OC)cc3",-9.559042485106003],["c(O)n1",-9.559177481443204],["N1C(=O)C",-9.55922782293188],["C(C)(C)O2",-9.559434085739746],["▁CCOP(=O)(OCC)",-9.55976320431047],["NC(=O)N1",-9.560089662679836],["c1ccc(OC)cc1)",-9.560637493764556],["c3nc4ccccc4s3)",-9.560691315104144],["▁COC(=O)C1=C(C)N",-9.561216086287809],["c(CC)",-9.562208327834163],["▁COC(=O)/C=C/",-9.56288740678019],["C(=O)C2",-9.563047798815358],["[C@@H]",-9.563288655120935],["n2)cc1OC",-9.56360924075372],["c(-c3cccnc3)",-9.565135228160324],["C[C@]2(C)[C@@H](",-9.565970287704191],["▁C/C(=C\\",-9.566605575775183],["▁Cc1nn(-c2ccccc2",-9.566869654099984],["▁CCOC(=O)c1c(",-9.567103598930927],["▁Cc1nc(C",-9.567132728844014],["c2ccccc2S1(=O)=O",-9.56763392595641],["▁C[C@]12CC[C@",-9.56800209680148],["N(C)C)cc1",-9.568367652301673],["N=C(c2ccccc2)",-9.569780681487517],["▁COCC(=O)N",-9.56985222576285],["NC(=O)OCc1ccccc1",-9.570280651769163],["c1ccc(C(=O)",-9.570604061409362],["n2)s1",-9.570795362094945],["c2ccccc2Br)",-9.570940665415163],["sc1",-9.57145501555488],["C(=O)Nc1nccs1",-9.57153961339467],["C4=O)",-9.571605656452803],["c3cc(OC)ccc3",-9.572232115879386],["c2ccc3c(c2)CCC3)",-9.572430481233576],["CCCO)",-9.572555739196655],["▁COC(=O)C1=C(",-9.572622162853776],["[C@H]1C(=O)",-9.572789216573703],["[C@H]2CO",-9.572955463044678],["▁NC(=O)N",-9.57340855272215],["sc2c1CCCC2",-9.573709445889218],["(C5)C3)C4)",-9.574707879627276],["cnc3c(N)ncnc32)",-9.576576431781298],["c1cccc(O)c1)",-9.577443081735645],["c3ccc(F)c(F)c3)",-9.577748514539188],["CCOCC1",-9.577811090973752],["▁Cc1cn([C@H]2C",-9.57824735327812],["c2ccc(F)c(Cl)c2)",-9.578315724981342],["Oc1cc",-9.57900232351044],["c(O)c12",-9.579324437199205],["c1cc2ccccc2o1",-9.580948566974442],["c2ccc(N)cc2)",-9.581022379593405],["c2)cs1",-9.582017064305552],["NC(=S)",-9.58244776250282],["N2CCCC2)c1",-9.582550410211944],["▁COc1ccc(C2C",-9.583658271188046],["CCN1CCCCC1",-9.584320581637684],["[C@H](O)[C@H]2O)",-9.584437839185476],["CCCC(=O)O)",-9.584751438656363],["▁NC1=N",-9.585082856453266],["(C=O)",-9.585263339536944],["cc(C",-9.58549939876302],["[C@@]1(C)C",-9.5857094216061],[")Nc1cc",-9.58600486693506],["/C=C1/",-9.58649062724734],["C(=O)N2CCC(",-9.586814739095052],["NC(=O)c1cc",-9.587824222225231],[")c",-9.587837340528104],["SC1",-9.588165962329338],["▁COc1ccc(/C=N/",-9.588703993693596],["C3CCC3)",-9.589072355720193],["Cc1ccccc1Cl",-9.589235244068655],["▁Nc1nc(",-9.589544585818471],["C(O",-9.589788059509496],["c1nn",-9.589973469768694],["3)cc1",-9.590812947123275],["cnc12",-9.591072788797582],["▁Cc1ccc(O)c(",-9.591382373346937],["c(-c3cccs3)",-9.59194261863055],["Cc1cc",-9.59204871236258],["c2nc(N",-9.593173862502798],["CCc1ccccc1)",-9.593392499929823],["▁C(=C/",-9.593455847203485],["c3s",-9.594121464157752],["3CCCC3)",-9.594731924641112],["c2cccs2)CC1",-9.59495442553306],["c2c(O)cc",-9.596046661406657],["N3",-9.596595018802075],["c(=O)c2",-9.596684778189529],["c2ccn",-9.596734251422994],["c2ccc3ccccc3n2)",-9.596746871657883],["▁Cc1c(C",-9.597129164527916],["▁O=C(NC1CC1)",-9.597820668861193],["▁CCc1ccccc1N",-9.597954663285092],["[nH]c2",-9.598373068356649],["CN)",-9.598683006250605],["c3ccc(C)cc3",-9.59871873867352],["c3nc4ccccc4[nH]",-9.59996466926943],["CC21",-9.60019769971183],["CC(C)",-9.600199873315027],["c2ccc(Cl)",-9.601111237800954],["CC1)",-9.601660838039146],["N3C(=O)",-9.602534592387324],["▁CCCCN(CCCC)",-9.603966170945412],["▁COc1ccc(C)cc1",-9.604016359614189],["▁CCn1c",-9.604800779226473],["c2nc3ccccc3nc2",-9.605278764572232],["CC[C@@H]3",-9.605900145676614],["S(N)(=O)=O)",-9.60591368610443],["▁O=C(NNC(=O)",-9.606258186027866],["c3cccc(O)c3",-9.606900186711169],["c2cccc(Cl)c2",-9.608031443797657],["c2ccc(-c3ccc",-9.60838630047766],["NC(C)=O)",-9.608680499806294],["c2ncccc2",-9.60871263508626],[")c1cnccn1",-9.60892292202065],["C[C@H](C)",-9.608977512494596],["c(O)c2c1",-9.609031287254176],["▁Cc1noc(C)c1-",-9.609371825699723],["C(N)=O)c1",-9.609899525136642],["c(OC)c",-9.610255989996013],["[n+]1[O-]",-9.610275833572704],["N12",-9.610966949905077],["CNCC",-9.611753941448804],["c1cc(C(=O)N",-9.61184849969808],["C3=O)cc1",-9.61206197920672],["c(-c2c",-9.61208335491968],["c2cccc(Cl)c2Cl)",-9.612343235157136],["2)cc1OC",-9.612500531462125],["▁COc1ccc(O",-9.612741739772174],["(OC(F)(F)F)cc2)",-9.613141108665994],["c2c1CCCC2",-9.613241201739122],["c1N",-9.613763614832692],["CCN12",-9.614004865974357],["c2nc(O)",-9.614891973532403],["[C@@]3(",-9.615095625745369],["c2cc(Cl)c(Cl)cc2",-9.615658790990537],["c1nn(-c2ccccc2)",-9.615905420205038],["▁CCc1ccccc1",-9.616167744266908],["N2CCN(",-9.616540417433786],["cc23)",-9.617091141841982],["c2cnccn2)",-9.617465901648334],["oc1C",-9.617992396595232],["[se]",-9.618670726411583],["(NC",-9.618890292605016],["(Cc3ccccc3)",-9.618921457576851],["Nc1nc(N",-9.619772371432724],["ccc1N",-9.619980647894018],["▁Cc1cc2c(",-9.620413915881612],["CCl)",-9.620493146954692],["C(N)=N",-9.620599344225534],["▁O=C(Nc1cccc(",-9.621839745798288],["ccc1-2",-9.622098441988433],["c(=O)n(C)c1=O",-9.622270135004356],["c4ccc(Cl)cc4)",-9.62256724136056],["c1ccc(O)cc1O",-9.6234205283869],["▁COc1ccc(CC(=O)N",-9.623927435925964],["C3=N",-9.623970654613707],[")C1CCCC1",-9.624361548462762],["C(=O)N2CCOCC2)",-9.62460479995653],["c3cccc(",-9.625120421931593],["c2ccccc2C(=O)O)",-9.62548798645062],["▁OC(C",-9.62555553212268],["c1cc(S(=O)(=O)N",-9.6256312041638],["Cn2cc",-9.625981615408698],["▁O=S(=O)(C",-9.626842353367978],["c1cc(O)",-9.626866006868234],["n2cn",-9.628009908122872],["CC(C)O1",-9.628329269608024],["▁COc1cc(/C=N/N",-9.629069993319565],["c1ccc(C#C",-9.629605226101337],["[C@@H]1CC[C@@H]2",-9.629913526077546],["c3ccc(F)cc3F)",-9.630067295766333],["▁COc1cc2c(cc1",-9.630439760539597],["c2cc(O)ccc2",-9.630857907559705],[")CC",-9.63101559665468],["c2ncccc12",-9.631369311460684],["C2)s1",-9.631453616282627],["NC(=O)CN",-9.631565834181046],["C(CC)",-9.631803368906247],["N3CCCCC3)",-9.632287440868485],["N)cc1",-9.633281105437412],["S(=O)(=O)c2ccc",-9.633356018960107],["c3o",-9.634038984735902],["N3CC",-9.634452063299555],["[C@@H](CO)O1",-9.635235076428986],["c(-c2ccccc2)c1",-9.635433230928498],["C(=O)CN",-9.635814221023027],["[O-]",-9.636099085624178],["c3ccc(N(C)C)cc3)",-9.636307058864803],["N=C(N)N",-9.63633588139901],["N(C)S(=O)(=O)",-9.63650128934408],["c2cc(C(=O)N",-9.636647480057686],["c2cc(Br)ccc2",-9.636867393274697],["c4c(c3)OCCO4)",-9.63736350267887],["C2CC2)C1",-9.637930243198412],["▁O=C(c1ccco1)",-9.637932776389793],["[C@H]1c1ccccc1",-9.63876950413073],["c3nccs3)",-9.639513756206064],["n1Cc1ccccc1",-9.640169688337611],["nc2-",-9.640232200263997],["c3ccccc3)CC2)c1",-9.640353135338266],["CCc2ccccc21",-9.640438657750405],["C2CCNCC2)",-9.64066979213622],["N2CCCCC2)c1",-9.64098953607701],["▁COC(=O)N",-9.642211542157083],["CN3CC",-9.642308891505673],["▁Cc1cc(C(=O)",-9.64249806768131],["c1ccc(F)c(Cl)c1",-9.643185771548165],["c2cccc(F)c2)cc1",-9.643682320306072],["▁COc1ccccc1C(=O)",-9.644131124013448],["▁Cc1ccccc1N",-9.644197659118255],["▁Br.",-9.644316247146492],["c2ncccn2)",-9.644337413067962],["C(=O)c2ccco2)CC1",-9.64444636489879],["▁COc1cccc(-",-9.644477715509156],["c(C)c(C)",-9.64677855010772],["c4c3",-9.64683878129728],["▁Cc1ccc(OCC(=O)N",-9.647211584080596],["(C4)C2)C3)cc1",-9.647374966838044],["NC(=O)OC(C)(C)C)",-9.647884127199791],["▁CC(=O)NCC",-9.6479082725396],["▁CNc1nc(N",-9.648011700811352],["c1csc(-",-9.648138384373915],["C1CCCN(",-9.64834995661445],["▁CCn1",-9.648453099965243],["N(c2ccccc2)",-9.649277304250006],["C(C)NC(=O)",-9.649331934526233],["c23)",-9.6497244179827],["CC2)cn1",-9.650269675492236],["cc(OC)c1O",-9.650397453439965],["[C@H](F)",-9.6513338583153],["-c1ccc(Cl)cc1",-9.6513346737615],["[C@@H](C)O)",-9.651991043692576],["▁Cn1cc",-9.652051900259869],["=N2",-9.652449097866292],["[C@H]1CC[C@@H](",-9.652497140877458],["C2=O)CC1",-9.652976134116845],["C(O)(c1ccccc1)",-9.652997712044076],["c1cc(Cl)c",-9.65335102861799],["C(C)N",-9.653789131469782],["▁Cc1nn",-9.65401143956926],["n3nc",-9.65448010660566],[")CCCC2",-9.654507564024469],["C3CCOCC3)",-9.65452523160695],["nn2)CC1",-9.654781184150735],[")c1cccc(F)c1",-9.654881906952609],["c2ccc(C)o2)",-9.655953934719133],["c(O)c3",-9.65597701368698],["c2cc(NC(=O)",-9.656072367353625],["Oc2ccccc21",-9.657428877638816],["CCC1=O",-9.657634191423398],["▁COc1n",-9.657682237665163],["c(N3CCOCC3)",-9.657682765162344],["c1ccn",-9.657769209719971],["c2ncn(C",-9.65852093731284],["C1(O)",-9.659020487612937],["CCO2)n1",-9.659022905717482],["C2O",-9.659398335173126],["[C@]1(C)CC",-9.6596515477442],["▁CCOc1ccccc1N",-9.659832012015066],["▁O=C(c1c",-9.659843371387684],["CC2C",-9.66024238095972],["=NN1",-9.660249936114296],["c1cc(F)ccc1",-9.661926686864271],["cc2)o1",-9.662730895898314],["cccc2c1",-9.663166022172003],["▁CCOC(=O)c1sc(N",-9.663326462940825],["C(=S)",-9.663346474001203],["▁O=C(CN1CCN(",-9.664188520952337],["c3cc(C)ccc3",-9.664389200609897],["c1ccc(C)cc1)",-9.664863458342332],["no2)c1",-9.665082792724464],["▁CCCCCCCCCCCCCC",-9.665534412512486],["[C@H]3O",-9.66567115310678],["▁Cc1nc2ccccc2",-9.66569118220524],["+]",-9.665764112399618],["Nc1nc",-9.666092164175906],["NC(C)=O)cc1",-9.666458197031938],["c2[nH]n",-9.66646345716268],["o2)n1",-9.667149309953514],["▁FC(F)(F)c1cccc(",-9.667401860354731],["▁O=C(/C=C/c1ccc",-9.667520854098017],["[C@@]2(O)",-9.66773016571279],["c2cc(C",-9.66808935900112],["▁CC(C)(",-9.668202244967826],["▁COc1ccc(N2CCN(",-9.668293928391126],["CN2C(=O)c3ccccc3",-9.66891613519916],["▁O=C(Nc1cccnc1)",-9.669254196770227],["▁CCN(CC)CCNC(=O)",-9.669314572489366],["c2cc(Cl)ccc2Cl)",-9.669533033315444],["c3ccc(Cl)c(Cl)c3",-9.669615377614075],["Cl)cc1",-9.669871912656028],["C(OC(=O)",-9.67020580868619],["▁Cc1onc(-c2cccc",-9.670587320852905],["c2s1",-9.671182890624223],["CC[C@@H]1",-9.672075385101508],["C(=O)Nc1nnc(",-9.67241143012226],["n(CC",-9.672837864299002],["[C@@H]1C[C@H](",-9.673203334970504],["N2CCc3ccccc3C2)",-9.674207256501878],["CC[C@H]1",-9.674280524682764],["▁Cc1cc(C)n(C",-9.674615090142256],["C(C)=O)cc1",-9.674912590858128],["[N+](=O)[O-])c2)",-9.674980838867274],["c1cc2c(s1)",-9.6750944352445],["n1cc(",-9.675380077592289],["▁COc1ccc(-c2",-9.675931323804118],["[C@]1(O)",-9.676150867015332],["[C@H](O)C1",-9.676338943005216],["=NC1=O",-9.676521465208674],["cn2",-9.676554932915602],["Nc2cc",-9.677130009206143],["/C(=N/N",-9.677158681908608],["▁COc1cc2ncnc(N",-9.677485499063735],["C1=S",-9.677765848380286],["▁Cc1cc(C",-9.67817081043754],["c1cc2ccccc2oc1=O",-9.67848691035664],["C[C@H](NC(=O)",-9.678718660555038],["▁O=C1NC",-9.678813859497138],["cc2)nc1",-9.678890302645112],["c1nc2ccccc2",-9.679344457234633],["([O-])",-9.680963358130755],["c2cnn(C",-9.681159001427744],["▁O=C1NCC",-9.681244485779391],["▁CC(=O)NC(C)C",-9.681441769333976],["c2ccccc2)c",-9.683505784637669],["▁Cc1ccc(/C(=N/O)",-9.68424200520126],["n(-c2ccccc2)c1=O",-9.68433808558576],["[C@H](CC(=O)O)",-9.68449785604694],["nc2)cc1",-9.6847079224071],["Cc1ccncc1",-9.6848242126034],["c(CO)",-9.684936440816443],["▁Clc1ccc(C",-9.685291978635972],["▁Nc1nc",-9.685358522372566],["CC1CCCO1",-9.685590630458496],["S(=O)(=O)N2CCN(",-9.685937979913856],["[C@@H](OC(=O)",-9.686321736433218],["c1ccccc1NC(=O)",-9.686396728519242],[".O",-9.68673887254711],["c(C(C)C)",-9.687284071119237],["ccc23)cc1",-9.687565599128163],["▁CN1C(=O)C",-9.687594031784634],["CC12C",-9.68766631429439],["c1cn(",-9.688023089279593],["c2nnc(C",-9.68844638362934],["c3ccsc3)",-9.688589045980914],[")NC1CCCC1",-9.688795006399422],["NC(S)=N",-9.689343959001318],["(CC(C)C)",-9.689476019233089],["c2nccnc2",-9.689528672893903],[")O",-9.689893956008188],["C2CC2)CC1",-9.69014421000675],["c(-c3ccsc3)",-9.690990029192982],["c[nH]c2c1",-9.6911041383575],["c1ccc(-c2ccc(",-9.691474504811271],["n1-c1ccc(Cl)cc1",-9.69164821707036],["c3c2)cc1",-9.69171108268365],["c1ccccc1O2",-9.69458529396271],["▁Fc1ccc(C",-9.695140699064003],["▁CCN(",-9.69520250017436],["c2ccc(C(C)(C)C)c",-9.695247447856588],["▁Cc1ccc2nc(",-9.696337253316669],["c2cc(F)c",-9.6964397152415],["S(N)(=O)=O",-9.696687109450494],["▁N#C[C@@H]1CCCN1",-9.697278817604204],["▁Cc1ccc(-c2cc(",-9.698257935539129],["O)[C@H](O)",-9.699764399333167],["Cn2c",-9.699827130373768],["C2CCN(C(=O)",-9.700876012737954],["2CCN(",-9.70089254554172],["c2cc3ccccc3o2)",-9.701504924426384],["c(SC)",-9.70165362153503],["co1",-9.701734683954667],["c2ccccc2CN1",-9.702249044898906],["▁C1=C(",-9.702433008710637],["▁COc1c(",-9.702623669078246],["▁O=C(Nc1nccs1)",-9.703305179504577],["C3CCNCC3)",-9.703496516322812],["n3C)",-9.703610183489094],["ncc12",-9.703772733797518],["/N=C(\\",-9.703840344112232],["▁CC(C)Oc1ccc(",-9.7039824832071],["▁COc1cc2c(cc1O)",-9.704148206242255],["▁CCOc1c",-9.70467859924712],["▁Oc1ccc(-c2c",-9.704707734228878],["C(c2ccccc2)C1",-9.70554517413722],["cc2o1",-9.705977730516729],["▁CN(C(=O)C",-9.706120725064164],["cc23)CC1",-9.706761927802631],["▁CC1(C)Oc2cc",-9.706806626366028],["(C(F)(F)F)cc3)",-9.707313690816031],[")s1",-9.707724750403884],["CCCNC(=O)",-9.707760702329272],["▁COc1cc2c(",-9.708305259198871],["C(N)C",-9.709718135217976],["c1n[nH]",-9.709875623088593],["▁OC1(",-9.710596819579244],["COc2ccc",-9.71075287719575],["2)cc(OC)c1OC",-9.71084057164166],["▁CC(C)[C@H](N",-9.710855383408802],["c1cn(-c2ccc",-9.711279560413605],["OCc2ccccc2)cc1",-9.711679739022491],["CC(=O)N2",-9.711917052347612],["c2cc(S(=O)(=O)",-9.712542592364985],["▁Oc1cccc(",-9.712548376522518],["c1cccc(N",-9.712958351966773],["c2cccc(NC(=O)",-9.713322533773091],["▁Nc1cccc(",-9.713570313113069],[")c(=O)[nH]1",-9.713944788007256],["c1.Cl",-9.71410146583396],["▁C[S+]([O-])",-9.714359395585552],["▁CC#C",-9.714529835518206],["c(C)c12",-9.715667786038669],["c2C)c1",-9.716200552296318],["c2c(-c3ccccc3)c",-9.717876712383768],["C2(CCN(C",-9.718094207468967],["nc2C1",-9.71850853510256],["c2ccncc2",-9.720119825554828],["/C=C/C(=O)N",-9.720167135734636],["S(=O)(=O)N2C",-9.720272423231634],["cc(F)",-9.720999322223951],["c1cnc2ccccc2c1",-9.721763690581025],["ccc32)cc1",-9.721952556208477],["c2sc",-9.72254591304965],["c1nc(N)",-9.722656848851518],["c(S(=O)(=O)N",-9.72299952962186],["c1sccc1",-9.723970045867024],["oc(=O)",-9.724113475143389],["c4ccccc4)CC3)",-9.72415790966144],["▁Cc1s",-9.724214129215218],["n2c",-9.724500696897737],["c2nc(N)",-9.72480251854569],["c(CO)c",-9.724829014380877],["[C@H](O)[C@H]3O)",-9.725185346521403],["ncnc12",-9.725357470444646],["N1CCN(C)CC1",-9.725720273335718],["c2cc(-c3ccc",-9.726095728570382],["▁COCCCNC(=O)",-9.727108127763136],["C(=O)N3CCOCC3)",-9.727824913544769],["▁NC(=O)C1CCN(",-9.728165279663976],["c2nc3ccccc3o2)",-9.728318807524031],["[C@]2(C)CC",-9.728945080573864],["c(-c3cccc(F)c3)",-9.729050688960449],["Cc2c",-9.729306174125638],["▁CN(C/C=C/",-9.729342182198822],["/C(=N\\N",-9.729701932117372],["C3(C)C)",-9.72988233968428],["▁O=C1CSC(",-9.729991636363298],["N=C(N)",-9.73006505255688],["[C@H]3CC",-9.730514528622106],["▁O=C(O)CNC(=O)",-9.731501722836043],["▁CC(C)(C)C(=O)",-9.731511453330093],["N=C1",-9.731626721734072],["C1CN(",-9.731629209136564],["c1cccc(-c2c",-9.731959601350663],["[C@@H]1[C@@H](",-9.732209103273805],["▁CCn1c(=O)",-9.732477017813933],["▁CC(C(=O)N",-9.732582451175782],["C(CC",-9.73264934006296],["[C@H](c1ccccc1)",-9.733097189687456],["CS1",-9.733460208193309],["▁NC(=O)c1ccc",-9.73382770137506],["c2c(N)ncnc21",-9.73384890648252],["C=C(C)",-9.734560073914668],["▁Cc1c(Cl)cccc1",-9.734662874747226],["c1nc(C",-9.734970001843042],["c4cc(O)ccc4",-9.735585488570342],["▁CC(=O)N1C",-9.735720602189172],["-c2ccc(F)cc2)cc1",-9.736021795875072],["n(C)n1",-9.73610835005158],["c3[nH]c(=O)",-9.7361334064306],["[C@@]1(C)CC",-9.736254012469509],["c2nnc(SC",-9.736325962070072],["c4ccccn4)",-9.736581204926534],["O[C@H]2",-9.736589964393527],["▁O=S(=O)(NC",-9.737242871379756],["[nH]c2=O)",-9.737499525106806],["CCN2CCN(",-9.738094859772886],["c1ccc(F)c(",-9.73816187562852],["Cc2ccc(F)cc2)",-9.738444398217016],["c2ccc(C(=O)",-9.738601560821715],["▁O=C(O)[C@@H]1C",-9.738741899163278],["C1CO",-9.73887427633418],["c1nnc(SC",-9.739499683772427],["CC1(C)C",-9.739507971921997],["▁O=C(Nc1ccccc1)N",-9.74004399768411],["▁CCOC(=O)/C=C/",-9.740103906529708],["c1cc(OC)c(OC)cc1",-9.740691909492666],["c2cnn(C)c2)",-9.740808088294235],["CC[C@@]43C)",-9.741477817892717],["c2[nH]c3c(c2c1)C",-9.742380572262524],["[C@@H]2CO",-9.7427015972497],["C(=O)NCc2ccco2)",-9.743034890545989],["(=O)[nH]c(=O)n2C",-9.743542705669077],["c3ccccc23)n1",-9.743980563864232],["(C(=O)OCC)",-9.744982934440744],["▁Cc1cc(OC",-9.745089056077408],["C(C(=O)N",-9.745146459601765],["[N+](C)(C)C",-9.74551491291988],["▁CC(C)NCC(O)CO",-9.7469413718092],["/C=N\\",-9.747219394776447],["Cc1ccccc1-2",-9.747245803491587],[")(C3)C2",-9.747381804398865],["]",-9.747715091929194],["c1ccc(Cl)nc1",-9.748026868888305],["c3sccc3",-9.748686093521918],["▁Cl.O=C(",-9.74891173895147],["c4ccccc34)",-9.749049145644378],["S(=O)(=O)C",-9.749222315235736],["c1co",-9.749814483339389],["CC[C@@]4(C)",-9.749886432531271],["N3CCCC3)",-9.749925665297006],["c3ccccc3)n",-9.749975170732451],["C2=CC(=O)",-9.75003395105167],["c2cccc3cccc(c23)",-9.750299478561956],["c2)s1",-9.75072759973862],["c1nc(-c2ccccc2)c",-9.751996299775504],["N2C(=O)c3ccccc3",-9.752210990508951],["nc(-c3ccccc3)",-9.752564308783104],["C=C2C(=O)",-9.752616291326673],["CNC(=O)C",-9.752698395038085],["(OC(C)=O)",-9.752724150394322],["C[C@H]4",-9.752731463305471],["▁O=c1cc(-c2ccc",-9.752779160035864],["c1ccccc1)c1ccc(",-9.75301587124876],["▁Cc1ccc(-c2cc",-9.754100180102892],["CCC(=O)NC",-9.75425588382777],["c1cnc(N",-9.754377950356757],["▁COCCO",-9.754820215719016],["[nH]n2)cc1",-9.75484776864613],["c2n[nH]",-9.755046888698226],["▁CSCC",-9.755217658670356],["c2ccc(=O)oc2c1",-9.75562196911812],["C[C@H](N)",-9.756154501601198],["c1csc(",-9.756277169699691],["N2CCCC2)",-9.756678265892456],["[C@H]2CC[C@H](",-9.756876468997907],["▁Nc1ccccc1NC(=O)",-9.756893141540289],["[C@@H]1C[C@H]1",-9.756906123853492],["2)o1",-9.756913335135192],["2)cn1",-9.75713377511841],["Cn2cn",-9.757834782482378],["CC(=O)NC",-9.7582059487866],["▁C[N+](C)(C)C",-9.75827114409029],["[N+](=O)[O-])s1",-9.758617581407854],["c2cn1",-9.758636127651435],["cc2oc1=O",-9.75881750262944],["[C@H](OC(C)=O)",-9.758905080320506],["n1cnc2c(N)ncnc21",-9.759596199023122],["on2)",-9.761294800608404],["c2ccccc2n1C",-9.76134148206424],["[C@@H](N",-9.761702957393544],["▁CC1CC(C)CN(",-9.761868243954629],["n2C)",-9.762101607772069],[")N/N=C/",-9.762450183044557],["6",-9.762743588528451],["CCCc1ccccc1",-9.762848697228003],["N(CC",-9.762918299993622],["cn2c1",-9.763467350387522],["n2)o1",-9.76380988974382],["s2)n1",-9.765513236356965],["C(=O)Nc2ccc(",-9.765846520849747],["C(=O)OCc1ccccc1",-9.76587885157511],["▁CCN1",-9.765937952683482],["CCN2CCOCC2)",-9.76639773507005],["CC2)C1",-9.766661789642878],[")n1ccnc1",-9.766799741615085],["▁CC1CC",-9.767348829394274],["CC[C@@]1(C)",-9.767983903858006],["[C@@]2(C)CC",-9.768627288387716],["c2cc3c(",-9.768652656310518],["C(=O)Nc1cccc(",-9.76920386520954],["n2cc(",-9.769292714694483],["c1ncc",-9.76972711675914],["no3)",-9.769907202040738],["[C@H]2C[C@@H]2",-9.770076704043724],["▁Cc1nc(-",-9.771056869486468],[")CO2",-9.771236343433934],["c2)o1",-9.771949760363338],["c3c(F)cccc3F)",-9.77208296716227],["n1nc",-9.773531496026656],["▁O=C1OC(",-9.77368674706958],["c1cc(F)cc(F)c1",-9.773697929943308],["C(N)=N1",-9.77372977528551],["nn3",-9.774622376124071],["nn3)",-9.774957173042852],["▁CCOc1cccc(",-9.775353232057768],["NC1CCCCC1",-9.776369331140266],[")n",-9.776822483812689],["n1)",-9.777156279059],["OCc2ccccc2)",-9.77717255448772],["▁O=C1NC(=O)C(",-9.77742876197254],["C(=O)OC)cc1",-9.778491064936857],["nc32)cc1",-9.778526323943892],["[C@H]1[C@@H](",-9.779172631896998],["-c1ccc(F)cc1",-9.77959609917196],["CS(=O)(=O)C",-9.78182174233892],["c1ccc2[nH]c",-9.7820803177928],["▁Brc1ccc(",-9.782348403784336],["▁C#CCO",-9.782437975020736],["▁CCCc1c",-9.782504342778523],["▁O=c1cc(",-9.782683726566589],["C2)cc1OC",-9.782889601055905],["c2ccc(Br)cc2)cc1",-9.78321327204288],["▁O=C(COc1ccccc1)",-9.783654922137],["▁CCOc1ccc(C",-9.783981105823027],["C)n1",-9.78413062721924],["c1c(O)n",-9.78420996243495],["c1c[nH]cn1)",-9.78462103623974],["cc(C(C)(C)C)c1O",-9.784853177453872],["▁CC1=C(C(=O)N",-9.78502988614894],["▁Cl.O=C(O)",-9.786648811419065],["c2)nc1",-9.786778628974016],["c2[nH]c(-c3cc",-9.78678173130674],["C2=O)cc1OC",-9.78721789425829],["▁Cc1ccc(C2",-9.787523379613411],["nc(-c2ccccc2)cs1",-9.787618713434483],["▁O=C(NCc1cccnc1)",-9.787954438657744],[")C1=O",-9.78797264744554],["▁CCOC(=O)c1ccc(",-9.78817911448515],["▁Cc1cn(C",-9.7883495976005],["c3ccccc31)",-9.789213801199336],["▁CC(=O)N1",-9.789656895730658],[")NC1CC1",-9.78968637283963],["c1ccccc1N",-9.789822213464468],["▁COc1ccc(OC)c(N",-9.789921635318157],["c2cc(F)cc(F)c2)",-9.79050134202817],["c3ccccc3[nH]2)",-9.790563839535489],["CN2CCC(",-9.79076871900715],[")N1CCCCCC1",-9.790769919599713],["▁CCC1",-9.790851950664312],["2CCN(C",-9.791724891625035],["COP(=O)(O)O",-9.79173553555336],["cnc3",-9.7924013404169],["▁COC1=C",-9.792530493596738],["O)c",-9.793300750803876],["C1=C(c2ccccc2)",-9.79369485360425],["cc(OC)",-9.793794539718778],["c1cccc(C#N)c1",-9.793878434527576],["C(=O)CC2",-9.793924624604164],["c2ccc(F)cc2Cl)",-9.793988494972933],["C[C@H](N)C(=O)O)",-9.794102352414969],["-c2ccc",-9.794804005318005],["▁FC(F)(F)c1cc",-9.794901893465203],["NCCN",-9.79504033639854],["▁Cc1ccc(-n2",-9.795170548189214],["▁Cc1o",-9.795633143348857],["C1.Cl",-9.795853445834815],["c23)C1",-9.795927472028348],["▁CCOC(=O)C1(C",-9.796614779029744],["NC1",-9.79680203023003],["O[C@H]1",-9.797101328977275],["c(C)c3",-9.798256393207174],["=NN",-9.798322865540747],["▁CC1CCN(C(=O)",-9.798423089073312],[")C1CCS(=O)(=O)C1",-9.79866691224956],["c2cccc(OC",-9.798840244801497],["c2cc(O)",-9.800257230898223],["▁COC1=CC(=O)",-9.800501098086295],[")N1CCc2ccccc2C1",-9.800630360608997],["C(=O)N3CCCC3)",-9.800791960368665],["cc2F)",-9.801122608496485],["n3c",-9.801379807776224],["=CC1=O",-9.801577497006134],["n2)c(C)c1",-9.802148380155632],[")c(OC)c1",-9.802296876889187],["c1cc(F)ccc1F",-9.80266405949804],["c2cccc3cccnc23)",-9.802698753560389],["c1ccc(Cl)cn1",-9.802704757889815],["c(-c3ccco3)",-9.802859361933615],["C23",-9.802936640553105],["▁CC(C)(C)C(=O)N",-9.802998598537272],["c2ccccc2Cl)c1",-9.803088716439916],["▁COc1ccc(F)cc1",-9.803265223895243],["C(=O)NC(C)C",-9.803618401462607],["c1ccc(F)cc1F)",-9.803662175334438],["C2CCCC2)c1",-9.80382701562796],["▁CCC(=O)O",-9.804000953804184],["▁CC(C)CCNC(=O)",-9.804033591211567],["C1(C",-9.804343112899367],["=C3",-9.804558340623094],["N3CCN(C)CC3)",-9.804819191560105],["c1ccc(Cl)s1",-9.805413012945715],["▁COc1cc(CC",-9.8059158275414],["@H](O)[C@@H]1O",-9.805985826773195],["C1CCS(=O)(=O)C1",-9.806364329137471],["C(=O)NCc1ccco1",-9.80639443248622],["c1ccc(I)cc1",-9.806648112905185],["C2=C1",-9.806916905975555],["c2c(N",-9.807271261300132],["c2c(O)",-9.807544894574136],["▁COc1ccccc1/C=C/",-9.807578833825245],["▁CCCN1C",-9.8087036109181],["c3ccccc3)n2)cc1",-9.808759399842616],["c1nc(-c2ccccc2)n",-9.808954987424858],["▁COc1cccc(-c2c",-9.809182605764311],["Sc2ccccc21",-9.809267295629988],["▁N=C(N)c1ccc(",-9.809939975377851],["▁N#Cc1ccc(N",-9.810118799732413],["[O-])",-9.810134245749245],["c(O)c(",-9.810190275018629],["n1nc(-",-9.81026231195249],["▁Cn1cccc1",-9.810276004262176],["n(Cc3ccccc3)",-9.811232912391166],["▁CCNC(=O)N",-9.811365135109376],["c2ccncc2)CC1",-9.812032854400783],["c2cc(O",-9.812203338526658],["c1ccc2c(c1)CC",-9.812418654986008],["▁Cc1nc2ccc",-9.812886262374027],["nnc12",-9.813044987785972],["▁O=c1oc2ccccc2",-9.81317555117172],["C(=O)N2CCCCC2)",-9.81443007859052],["▁CNS(=O)(=O)",-9.814554006881696],["▁O=c1c",-9.814795055348426],["Cc2c[nH]",-9.815053570903515],["CCN(CC",-9.81525046955908],["c3ccccc3O)",-9.815261828641724],["c3ccc(C)c(C)c3)",-9.81568843279736],["c1ccc(-c2noc(",-9.815797538533973],["Cn1nc",-9.815862414958104],["c1cnn(C)c1",-9.815929808397318],[")N1CCC(",-9.816801250734937],["c2C1=O",-9.817511941865636],["c3=O)",-9.81836875939848],["C2CCC",-9.819106222887038],["c4n",-9.819250990416936],["c1cncnc1",-9.819414060887029],["C(=O)N3CC",-9.819727594885109],["NCCC",-9.82026112345369],["C(c1ccc(F)cc1)",-9.820471559488094],["▁Cc1ccc(-c2",-9.820708852579012],["n2)cc(OC)c1OC",-9.820889192574574],["cc(O)c12",-9.821346068277071],["CN(C(=O)C",-9.821358744728046],["▁O=C(O)c1cc(",-9.822057378908632],["ncn2",-9.822891307730403],["(OC)c(OC)c2)cc1O",-9.823332910126776],["[C@@H](CC(=O)O)",-9.824014506639418],["C#N)cc1",-9.824295198872637],["c2nnn(C",-9.824479665966583],["▁Oc1ccc(-",-9.825737556792753],["▁Cc1csc(NC(=O)",-9.82607609338699],["c2ccc(OC)cc2",-9.826340442991809],["N2)cc1",-9.826454805149528],["ncnc32)",-9.826789943895449],["/C(",-9.826916542838427],["▁CC(C(=O)O)",-9.827204412830971],["▁CCS(=O)(=O)N",-9.827382880046256],[")ccc1O",-9.828269608179518],["c1cs",-9.829371713017196],["C2CCOCC2)",-9.829673655050968],["O[C@@H]1",-9.829831318358169],["OC(C)=O",-9.830554460725864],["▁CNCC",-9.831195737332568],["[C@H](C)N",-9.831311898399695],["▁Clc1c",-9.832209413958784],["c1cn(-c2ccccc2)n",-9.8322751129757],["c3ccc(OC)c(OC)c3",-9.832453104912442],["c2cc(F)ccc2F)",-9.833061803075092],["▁CC1=C2",-9.833320767827717],["cc2)cn1",-9.834019220588722],["nn1-c1ccccc1",-9.83414419442282],["c(O)c21",-9.834456740315764],["3)c1",-9.834737530990594],["c2c(Cl)cccc2",-9.83522959886787],["cc(O",-9.835315138683722],["c2c(=O)[nH]",-9.835643303123703],["(N(C)C)",-9.835662145023754],["N1N=C(",-9.835731444571955],["▁C1=C",-9.83575457380138],["C(=O)O)C(=O)O",-9.83619134096098],["c(=O)c1",-9.836467920468117],["▁CC(S",-9.836723631377538],["▁Cc1cc(Cl)ccc1",-9.837085477245484],["[C@@H](OC)",-9.83745273487666],["CC(=O)N1",-9.837476808581592],["cnc1N",-9.83790439255374],["▁CC(C)c1ccc(N",-9.838008304638173],["cc(Oc2ccccc2)c1",-9.83815232522833],["C1O[C@H](CO)",-9.83818769327808],["Cc2ccccc21",-9.838239290879088],["C(=O)c2c[nH]",-9.838391116561304],["▁C/C(=N\\",-9.838557130619591],["C(c2cccs2)",-9.839134921118324],["▁Cn1c(C",-9.839290329357937],[")=N\\NC(=O)",-9.839454598320938],["▁c1ccc(-c2n",-9.839500487432405],["c(-c4cc",-9.839678923359791],["nc(C)n1",-9.840197172492314],["C(=O)c2ccccc2)c1",-9.841399650950605],["c2ccc(C(=O)O)",-9.841431754110882],["▁C[C@]1(",-9.841466706366624],["c2cccc(O",-9.841948845312164],["NS(C)(=O)=O)",-9.84196901702747],["NC2=O",-9.84209611347898],["▁O=C(NCC1CCCO1)",-9.842290905459905],[")Nc1ccc(F)cc1",-9.842704365608476],["[C@H](OC(=O)",-9.842785717619147],["C(=O)c1ccco1",-9.843115555254954],["N(C)C1",-9.843469610858088],["C(c2ccc(F)cc2)",-9.843599326528745],["▁Cc1ccc(/C=C/",-9.843711731522932],["n1cnnc1",-9.844672891431848],["OCCCO",-9.845143738514546],["Cc1ccccn1",-9.845160172140014],["CCN3CCOCC3)",-9.845539163413504],["n2C)n(C)c1=O",-9.845636326650071],["/C=C2/",-9.84564362085083],["CCCCCCCC",-9.845883160751056],["N1CCCCCC1",-9.846134383201882],["▁COCCC",-9.84637503734341],["c(O)c2ccccc21",-9.84670650738314],["C1=C(C)NC(=O)NC1",-9.846780379675987],["c3ccc(F)c(Cl)c3)",-9.846827530811009],["▁COC(=O)c1cccc(",-9.84685782234668],["▁COc1ccc2",-9.84702731305972],["c2O1",-9.84760019429536],["C(OC)",-9.847780167155264],["c1ccccc1)CC2",-9.848321729157338],["c32)cc1",-9.848445288725785],["n2ccnc2)",-9.848742365549825],["[C@@](O)(",-9.849036797484036],["C[S+]([O-])",-9.849121487594182],["N2CCCCCC2)cc1",-9.849134472629828],["▁CCOC(=O)c1[nH]",-9.85046007799045],["C(=O)NCCO",-9.850560724665533],["c1c(C)[nH]",-9.85089220653817],["COC(=O)/C=C/",-9.851045482994389],["[C@@]3(C)",-9.851056593260314],["[C@]2(C)C",-9.851154081140358],["▁O=C(NC1CCCC1)",-9.851671263343686],[")OCc1ccccc1",-9.85185933745888],["C(=O)NC2CCCCC2)",-9.851992542235028],["cc(C)c1O",-9.852872447072198],["▁COc1nc",-9.852877207685934],["[C@H](O)CO",-9.852936714377744],["[C@@H]1C=C",-9.853220296226652],["▁N#CCC",-9.853457897511271],["c1cccc(-c2cc",-9.853615561099442],["CCN1CCN(",-9.853711030044108],["c2ccc3ccccc3c2",-9.854089409125066],["▁O=C(O)C1C",-9.854284153207884],["c1nc2ccccc2nc1",-9.855275138397564],["▁OC(",-9.855315324239092],["c2ccc(O)",-9.85587633694061],["CCc2ccccc2)cc1",-9.85600430402518],["c3ccncc3",-9.8561513866853],["[C@]2(C)",-9.85621738568524],["N2C(=O)C",-9.85628248318394],["c2cc(OC)ccc2",-9.857321950348322],["▁CCn1nc",-9.85735042878021],[".N",-9.857832216415396],["Cc1ccccc1)N",-9.85838975175773],["c1c(C)c",-9.858459087711402],["N2CCC",-9.858806097170906],["▁Cc1ccc(C)c(N",-9.8594867929571],["▁C[C@@H]1CN(",-9.85958732617239],["n1c2c(c3ccccc31)",-9.860170152216888],["[C@@H](CO)O",-9.860180728327547],["c3ccccc3)c",-9.860190534261235],["c(=O)n(",-9.860232554718426],["c(C(=O)O)c1",-9.860289178521656],["c3ccccc3-",-9.860702417377563],["C(c1cccs1)",-9.861229088402863],["▁CC1=NN(",-9.861324269980772],["▁CC(=O)N1CCC(",-9.861446178356104],["(CN)",-9.861715959582884],["c(F)c2)",-9.861723015335777],["[C@H]2C[C@H](O)",-9.861910743300763],["▁COc1cc(CN",-9.862568521517318],["▁O=C(CCCC",-9.863055806036716],["c2nc(N3CCOCC3)",-9.863279680021352],["▁CCOC(=O)c1cc(",-9.863469387968989],["CCSC",-9.863706517758237],["C2=NCC",-9.864355918303753],["▁C=CC(=O)N",-9.86498433052517],["▁Fc1cccc(",-9.86561231601749],["-c2ccccc2)c1",-9.866124723994986],["▁O=C1OC",-9.866203664579722],["c2N)cc1",-9.866350116921756],["▁CC(=O)O[C@H]1C",-9.866411227293453],["c(-c2ccncc2)",-9.867248865191495],["C(C)(C)C)c1",-9.868036908221509],["▁CS(=O)(=O)c1cc",-9.86813433462298],["c1nnc(C",-9.86823580021494],["c3n2)cc1",-9.868360357314252],["▁CCCCN1C(=O)",-9.868423663697577],["C[C@]2(C)",-9.868790983238464],[")NCCc1ccccc1",-9.87014157163405],["no2)",-9.870187560796293],[")c1ccc2c(c1)OCO2",-9.870210331153029],["c1cc(=O)oc2cc(OC",-9.870941752459457],["2CCN(C(=O)",-9.871198115077682],["▁CO[C@H]1C",-9.87257168403437],["CCN2CC",-9.872587863782757],["Nc2ccc",-9.872638925160569],["c(Cl)c1Cl",-9.872926606793808],["▁CCCC(=O)",-9.872983777996804],["[C@@H](CC(C)C)",-9.873090148833716],["/C=N/NC(=S)N",-9.87341801727212],[")Nc1ccc(Cl)cc1",-9.873554629619372],["cccc21",-9.87385580949147],["c2nc(",-9.874077284439943],["C(C(=O)OC)",-9.874394268866958],[".O=C(O)/C=C/",-9.87476460500424],["CN1CCC(",-9.875105930381878],["c2ccccn2)C1",-9.875640248110368],["c2ccccc2O)cc1",-9.875741973856393],["S(=O)(=O)N(C)",-9.875745351720704],["/N=C2\\",-9.875944884839903],["▁CC1(C)C=C(",-9.875950270523823],["-c1n",-9.876116729118806],["c4nc",-9.876280612890902],["▁Oc1c",-9.876519444651889],["[C@H](O)[C@@H](",-9.876761246023502],["▁O=C(O)c1cn(C",-9.87691512970667],["c2cnccc2",-9.877166981399425],["C12CC3CC(C",-9.877450503559087],["NC(=O)OC(C)(C)C",-9.877602090472935],["[C@@H](O)[C@H](O",-9.877650223817383],["C[n+]1ccccc1",-9.877927062564083],["▁Clc1cccc(",-9.877956603908824],["▁Cc1onc(-c2c",-9.87797360178454],["[C@H]1C[C@@H]2",-9.87823395045638],["▁Nc1ncnc2c1",-9.879710629843888],["c2cc(O)ccc21",-9.879853399141236],["nc23)",-9.879935727998204],["N1CCOCC1)",-9.880031980172678],["c2ccc(-c3n",-9.880271105040004],["cc1-",-9.880539632301822],["▁O=C(Cn1c",-9.88085948514463],["[n+]([O-])c",-9.881065411688615],["C1CCC(",-9.881181025282109],["[C@H]1[C@H](O)",-9.881230095824831],["c2nc3cc(Cl)ccc3",-9.881421282305906],["C(=O)[C@@H](N)C",-9.88179576136234],["c2cc(-c3ccccc3)n",-9.881861790842825],["c1ccc(F)c(F)c1)",-9.882093876038912],["C(=O)c2ccccc2",-9.88227805174986],["C(=O)NCC2CCCO2)",-9.882334982747585],["▁Cc1nc(C)c(",-9.882566107535943],["c2cccc(O)c2",-9.882781547036506],["c3cccc(Br)c3)",-9.88307338343022],["Oc1ccc2c(c1)",-9.883433181529956],["CSc1nnc(-",-9.88373442257214],["NC2",-9.884180284689377],["c1ccc2c(c1)CCC2",-9.884565491695138],["nc(-c2ccccc2)n1",-9.8847725990764],["c1c(C)",-9.885168977897235],["CC12",-9.886267044188148],["c3cc(Br)ccc3",-9.886345393000497],["c2nc(-c3ccco3)",-9.886692282497132],["CCC4)",-9.886777149585312],["▁CCCS",-9.887280730148596],["N[C@@H](C",-9.887331125983026],[")[C@H](O)",-9.887386651015268],["▁CSc1cc",-9.887484532946722],["CC(C)N",-9.887824928502372],["CCS(=O)(=O)",-9.888571753834489],[")[C@@H](O)",-9.888572632372432],["▁COc1ccc(C2=N",-9.8887825504416],["C(=O)c1cccs1",-9.888986957365267],["N(C)C)c1",-9.889034790730271],["c3ccccc3)cc2)cc1",-9.88912614791804],["▁c1cn",-9.88929477270026],["▁COc1ccc(-c2csc(",-9.889381100828004],["c2cc(C)on2)",-9.889408635407072],["c(C#C",-9.889717759758296],["OCC(=O)N",-9.89002582723263],["/C=C1\\",-9.890332994030304],["▁CCc1nnc(NC(=O)",-9.89046463948332],["C=C3",-9.890885664657638],["[C@]3(C)",-9.890985227214298],["c2c(O)cccc2",-9.891138609634604],["c(=O)[nH]2)cc1",-9.89156069124446],["▁Cc1c(C(=O)",-9.891783974245431],["N1CCc2ccccc2C1",-9.892070829956996],["▁c1ccc(CC",-9.89209027635993],["C(F)",-9.892416712945034],["c1cc(Cl)",-9.892454051689665],["c2cc(Br)c",-9.892528896674936],["CC(C)(C)C1",-9.892882680477069],["O)[C@@H](O)[C@H]",-9.893098927395735],["COC)",-9.893140968786902],["nc(C)",-9.893457892434784],["cc(-c2ccccc2)c1",-9.893750016514296],["c2ccccc21.Cl",-9.893800094489276],["▁CC(=O)C1=C(O)",-9.894155257391745],["c2o1",-9.894287788691113],["▁Cc1cn",-9.894516962778807],["▁CCNC",-9.89497932312952],["co2)c1",-9.895098051881469],["CCN1CCCC1",-9.895600470812964],["O[C@@H]3",-9.895847452357692],["1CCCC1",-9.89587568066965],["c3c(O)cccc3",-9.896060091598187],["C3=C(",-9.89631142899221],["S(=O)(=O)Nc2ccc",-9.896532067347348],["c2cc(N",-9.896651643775217],["c3c(Cl)cccc3Cl)",-9.89676998732857],["Cc3ccccn3)",-9.896786210996837],["(-c3ccc(F)cc3)",-9.897423809290672],["CC2=O",-9.897613938947387],["Cc1ccccc1F",-9.898411961742328],["4C",-9.898596944717776],["▁Cc1cc(-c2n",-9.898915420183524],["N2CCNCC2)",-9.900011194723978],["▁O=S1(=O)",-9.90060076939591],["c3cc(O)c(O)cc3",-9.900783549631548],["NC(=S)N/N=C/",-9.901106532575255],["2CCCCC2)",-9.901161499803216],["C2CO",-9.90119470651215],["C(NC(C)=O)",-9.90183037514715],["▁COc1ccc(N2C(=O)",-9.90184484065158],["c2c(c",-9.90292766892068],["NC(=N)",-9.903422973103854],["C3(C)C",-9.90350826763192],[")c2ccccc21",-9.904383248241974],["/C=C/c1ccc(",-9.90457426667071],["1)C2",-9.904858230506148],["C4CCCCC4)",-9.9053256345895],["N2CCNCC2)cc1",-9.905400982830695],["Cc3cccnc3)",-9.905557742517304],["C(=O)N2CCCC2",-9.906181304597364],["▁OC[C@H]1O",-9.906220886812807],["▁CCc1ccc(NC(=O)",-9.90623607736429],["(CCC)",-9.906570637061453],["c3ccc(C(F)(F)F)c",-9.906867692356371],["3CC4CC(C3)CC2C4)",-9.906892546059986],["OCC(O)C",-9.906972726150077],["c2[nH]c(=O)",-9.907029543011769],["▁COC(=O)[C@H](C",-9.907426333744397],["C(=O)NC(C)(C)C)",-9.90743531466766],["n3n2)cc1",-9.907513172179671],["c1cccc(-c2n",-9.907875023689671],["(CCN)",-9.908068532895625],["C2CC(=O)N(",-9.908214386063854],["CC3)c1",-9.908447453043909],["NC(=O)c2cc",-9.908631748186558],["C(C)(",-9.908694005781502],["C2=C(C(=O)",-9.90937655500978],["c1c(-c2ccccc2)n",-9.909379431453647],["c1ccc(Br)o1",-9.912300306581582],["c3ccc(N)cc3)",-9.913209253765055],["c3ccc(O)c(O)c3)",-9.91331611950496],["c2cc(O)c(O)cc2",-9.91366288212559],["cc(=O)oc2c1",-9.914332570949702],["▁CNc1n",-9.914432078462411],["=C1O",-9.914566922309124],["c3c2c1",-9.9147819134746],["C)C1",-9.9149076188237],["▁CN1C(=O)C(",-9.915528812855516],["▁CN1CCC",-9.915794643063595],["Cc1cccnc1",-9.91588248872221],[")c(C)c1",-9.916066122690545],["[C@]12",-9.91611715227944],["c1noc(",-9.916138507571914],["[C@H](N)C",-9.916908443363372],["CP(=O)(O)O",-9.91714453047726],["c1ccnc2ccccc12",-9.917153690699095],["▁CN1CCN(c2cc",-9.91748923033743],["C(C(=O)",-9.917740145869928],["C2=O)ccc1O",-9.91831412096746],["ccc2N1",-9.920212897369584],["▁Cn1cnc(",-9.920745399514855],["▁CN(C)CCN",-9.92091983429503],["cc(Br)",-9.921042818614003],["c1ccc(CN",-9.92110165216872],["C(=O)C(C)",-9.922156643983952],["Cn2cncn2)",-9.922669906173182],["[C@H](OC)",-9.922683302053905],["▁O=C(Nc1n",-9.922764021126628],["c1ccc(/C=C/C(=O)",-9.922990617426043],["c4ccc(O)cc4",-9.923239431342584],["c2ncnc(N",-9.923250263556287],["c1ncc[nH]1",-9.923408698147044],["▁C=C(C)C",-9.923424242740714],["c3ccc(Br)cc3",-9.92369316481567],["cc3)nc2c1",-9.923862920492423],["S)",-9.924145151354526],["c2c(F)c",-9.924295257929693],["c2ccccc2O1",-9.92432483788348],["C(=O)c1cccnc1",-9.92468004327413],["c(I)",-9.92472676704078],["c2cccc(Cl)c2)c1",-9.925699710903787],[")C(=O)NO",-9.92706506408061],["N2C(=O)CSC2",-9.92764048300706],["▁CN1[C@H]2CC",-9.9284292913154],["/C=C2\\",-9.928654082532235],["c(C(F)(F)F)cc1Cl",-9.928827955970622],["(CO",-9.929144825087704],["c2c(C)cc(C)cc2C)",-9.92948716828176],["CP(=O)(O)O)",-9.930020580766383],["▁OC1",-9.930031268578029],["Cn1cc(",-9.930548207026517],["▁COc1ccccc1-c1c",-9.93059768401725],["▁Cc1ccc(S",-9.930626844566216],["c34)",-9.93073444078882],["c(-c4ccc(F)cc4)",-9.931143168099108],["▁O=C(O)c1ccc(N",-9.931814007290598],[")o1",-9.932048210364464],["c2cccnc2)C1",-9.932055363972598],["nc(O)",-9.932103851629291],["c2cs",-9.93233505603111],["▁CC(C)=CCC/C(C)=",-9.932675877373612],["CN2CCCCC2)",-9.932852764116856],["CN12",-9.933124006662425],["CC=C(C)C",-9.933383333548354],["C2)nc1",-9.93351795266484],["Cl)c1",-9.934010900108184],["[C@@]12",-9.934255592857909],["▁O=Cc1c",-9.934443574523268],[")OCO4",-9.934957312913957],["c3cccc(C#N)c3)",-9.935121421236552],["nn1-",-9.935175360930996],["n1c(=O)[nH]",-9.935188811904126],["(C(C)(C)C)cc2)",-9.936486507296088],["c3ncccn3)",-9.93675537881606],["c2nc(-c3c",-9.937726548646122],["▁CC(OC(=O)",-9.938169548594452],["cc2)cs1",-9.938262809204703],["▁COc1cccc(C(=O)",-9.938581149438257],["c3ccccc3)ccc21",-9.938688989290595],["c2c3ccccc3n",-9.938866142438982],["[C@H]1C[C@H](O)",-9.938922469001607],[")\\c1ccccc1",-9.939043924043863],["C[C@@]2(C)[C@H]1",-9.939346925287548],["▁Cc1ccc(CN2CC",-9.93991369339522],["[C@@]2(C",-9.93999493871418],["▁CC1=CC(=O)",-9.940029059627864],["CN(CC",-9.940417908035824],["coc2c1",-9.940639803723144],["▁COc1cccc(-c2n",-9.940819931241574],["Cn2nn",-9.940865574731482],["▁Cc1ccnc(",-9.941135306988846],[")Nc1ccccc1F",-9.94162700504518],["S(=O)(=O)c1cc",-9.94201219848498],["c1nnc(SCC(=O)N",-9.942389841655787],["cnc1",-9.942400913808603],["▁COc1ccc2c(c1)C",-9.94276332626539],["▁CC(=O)c1ccc(OC",-9.942779683302955],["▁CC(=O)N[C@@H]1",-9.94325036630616],["[C@H]1C(=O)O",-9.94340846223142],["c2ccc(Cl)nc2)",-9.94347801773585],["C(=O)N(C)C1=O",-9.94384666758863],["cc32)cc1",-9.944086625525722],["CCCCCCCCCCCC",-9.944186015289237],["c1ccc(C)c(C)c1",-9.944614745688948],["C3(",-9.945230347319333],["C(C(=O)O)=C",-9.945308221093216],["▁CCCOc1cc",-9.945423519903272],["▁CC(=O)N1CC",-9.945495558058775],["▁CC(=O)c1cccc(",-9.945661755977644],["(CNC",-9.945805927151644],["CC[N+](C)(C)C",-9.946318909903264],["C(=O)c1ccc(F)cc1",-9.946449419840985],["2cc(Cl)ccc2[nH]1",-9.946643294843108],["(C2CCCCC2)",-9.946687707365449],["C4=C",-9.947360062290857],["c2ccc(O)cc12",-9.94742935336458],["c(O)cc1O",-9.947567465103038],["c2ccccc2OC",-9.947822752661407],["CC1CCCCC1",-9.94789468463178],["C(=O)N1c1ccccc1",-9.948197800253167],["n2ccnc2)cc1",-9.948369109089183],["ccc2c1=O",-9.94853035118282],["▁CC(=O)Nc1c",-9.949277102865036],["c1ccc(NS(=O)(=O)",-9.949846960302487],["c1cnc",-9.950335937853112],["S/C1=C\\",-9.95071134216477],["CCC)",-9.950742238828967],["▁CCCCC(=O)N",-9.951083081255668],["Cc1cccc2ccccc12",-9.951616267569014],["c1ncccc1",-9.951981810541705],["c1ccc(OC(F)F)cc1",-9.952151785246665],["C/C=C(\\C)C",-9.952228590317674],["COc2ccccc2)",-9.952266381947677],["▁CC(=O)C",-9.952532135098494],["c1-2",-9.95272447584411],["c1ncn",-9.953102726678289],["c1cc(O)c",-9.9533404946426],["2)ccc1O",-9.953523530383304],["C4=CC(=O)",-9.953879089398708],["CC(c2ccccc2)",-9.953979130803578],["▁Cc1cc(C)nc(",-9.954437352298092],["▁COc1cccc(OC",-9.954473714987838],["NCCO",-9.954682749577316],["C1CCOCC1",-9.95471746694993],["▁CC(=O)Nc1cccc(",-9.955086910985068],[")\\",-9.955397463538736],["▁O=C(O)C1=C",-9.95543023767056],["▁CCN(CC)CCCN",-9.95582700824673],["c2cc(S(=O)(=O)N",-9.955972807305484],[")C12C",-9.95603700671431],["/C(S)=N/",-9.95635397029552],["cc2)no1",-9.956749057794362],["▁CCn1c(SCC(=O)N",-9.956919853710248],["nnc1SC",-9.957093862284704],["▁Cc1occc1C(=O)N",-9.957830135683723],["SC)",-9.958263501317418],["CN2CCCC2)",-9.95836983569611],["n2C)c1",-9.958434874809257],["c1ccc2[nH]ccc2c1",-9.959429663356062],["▁COC(=O)c1ccc(N",-9.95996162742859],["c3ccccc32)C1",-9.960079990826952],["CCOc1ccccc1",-9.960208923332964],["▁Cc1cc(O)c(",-9.960297568582408],["c1nc2cc",-9.960500757856313],["CCc2c[nH]",-9.960652081384977],["C=C(C(=O)O)",-9.961295434451],["[C@@](C)(C(=O)O)",-9.961366221726609],["c2c(Cl)cc(Cl)cc2",-9.96214273456117],["c2nnc(-",-9.962805074135584],["CC(=O)O)cc1",-9.962950720141508],["c5ccccc5",-9.96333072388763],["n3cc",-9.964106066139411],["c2ccccc2)CC1)",-9.964634397524796],["n1nn",-9.964694269047898],["c1cc(C)cc(C)c1",-9.96475462708692],["N1CCCCC1)",-9.965357663033895],["S2(=O)=O",-9.965665459298634],["[S+]([O-])C",-9.96597923815096],["[n+]2",-9.966946541871405],["C(O)(c2ccccc2)",-9.96812284154256],["cn2)n1",-9.96827672623979],["c2ccccc2)O1",-9.96832256800187],["OCc1ccccc1)",-9.96833438892394],["c2-",-9.968585031521371],["nn23)c1",-9.969108412026944],["c1cccc2c1C",-9.969264384843283],["NC(=O)c1cccs1",-9.969279075226058],["N)c1",-9.969400070647875],["c2cnc3ccccc3c2)",-9.969925924059478],["C2(O)",-9.969959999455458],["C1C2",-9.97021895530342],["/N=C(\\S)N",-9.970357880015811],["CCCCCCCCCC",-9.970481823098336],["sc21",-9.970632914024874],["c1ccc(-c2ccccc2)",-9.970722956453963],["c1ccc(C(N)=O)cc1",-9.971105957179],["▁CN(C)C(=O)C",-9.971214307392705],["CN3CCCCC3)",-9.97155836203829],["Cc2ccc(Cl)cc2)",-9.97165676731871],["CCCC(=O)O",-9.97224420193506],["OC1(C)C",-9.97226490524361],["c3ccc4ccccc4n3)",-9.972948487213948],["▁CC(C)CO",-9.973273742846018],["c2nc3ccccc3nc21",-9.973368306071478],["c1ccc2c(=O)",-9.973406132105216],["C1CC(=O)N(",-9.973441506292222],["c2cccc(C",-9.973481225806506],["▁CCSc1n",-9.973547586447207],["[C@H](C(C)C)",-9.973801318056935],["▁N#CC1=C(N)O",-9.974020772874852],["[nH]c21",-9.97402932635941],["▁CC(/C=C/",-9.975181344015844],["c2ccsc2",-9.97539608432414],["C(CN)",-9.975464207087777],["c1cc(O)ccc1O",-9.975482060774578],["c2cc(C)ccc2",-9.97562173418015],["[C@@H]1[C@@H](O)",-9.975729091436744],["C(=O)OC(C)(C)C",-9.975894709636066],["C2CN(",-9.976460039469774],["c1cc(Br)ccc1O",-9.976766912052138],["cc(C(F)(F)F)",-9.977147682767324],["CN2CCN(",-9.977258633301384],["(c3ccccc3)",-9.977753094341535],["[C@@H]2O[C@H](C",-9.978059642653308],["c2nc(C)c",-9.978373796226496],["Nc2nc",-9.978677377948914],["C/C=C\\CCCC(=O)O",-9.978703153306352],["[C@@H]1C[C@@H]2",-9.978911934587702],["c(Cl)c2",-9.978969281128444],["CCCCCCCCC",-9.979903786439436],["c1cccc(-c2ccc",-9.98075787833522],["C(C)=N",-9.981558807062832],["C(=O)NO",-9.981906086279295],["c2cc(Cl)ccc2O)",-9.98273051069387],["CC1)C2",-9.982812160467477],["▁Cc1cc(F)ccc1",-9.983389458938474],["[C@@H]2CN(C",-9.983719098293829],["n(CC(=O)N",-9.983901050531353],["Cn1cn",-9.984119999535306],["c(=O)c1=O",-9.98463844914818],["CN1CCN(C",-9.984806105905726],["SC(",-9.985062131398806],["▁CCN(Cc1ccccc1)",-9.985098507347242],["▁CC(C)N(C",-9.985106469773058],["N(C)C1=O",-9.985468893834256],["N1CCN(Cc2cc",-9.985779811542113],["[C@@H](O)CC",-9.9861592404739],["nc(N2CCOCC2)n1",-9.986206537178475],["nc2ccccn12",-9.986755163383211],["CC(F)(F)F)",-9.987207990257229],["CCCn1ccnc1",-9.98751331551724],["[C@@H](O)[C@H](",-9.987980133541768],["c2c(Cl)c",-9.988054614429537],["▁Cn1c(-",-9.988405006730387],[")(c1ccccc1)",-9.988583587231323],["CN2CCN(C",-9.989547662406135],["c1cccc(-c2cn",-9.989623983134804],["c(C#N)c1C",-9.989768397383216],["c2ccc(O)cc2O)",-9.989811016344555],["▁C#CCN",-9.989935103457142],["N1c1ccccc1",-9.990121267134477],["▁Brc1cc",-9.990311414728296],["▁Cc1ccnc(N",-9.990473905021242],["c(-c2ccc(OC)cc2)",-9.99056039939024],["C[C@@H](NC(=O)",-9.99217378848962],["▁O=C(O)CO",-9.993447687199223],["/N=C/c1ccc(",-9.9934587217499],["c1ccc2[nH]c(=O)",-9.993929002634236],["[n+]2[O-]",-9.993939352396742],["C2CC2",-9.993969281190555],["c4ccc5c(c4)OCO5)",-9.994041792488384],["C#Cc1ccccc1",-9.994145618987996],["c1ccc(-c2ccccc2",-9.99423272803588],["(C2CC2)",-9.99435112550427],["CCN1CC",-9.99458781652324],["▁CCc1",-9.995055979518453],["CC2)o1",-9.995193220158724],["(S(N)(=O)=O)cc3)",-9.995438258264231],["P(=O)(O)",-9.995475649488238],["c(-c2ccc3c(c2)",-9.995554901057565],["c1ccc2cc",-9.995591955401068],["c(-c3ccccc3O)",-9.995687069466271],["c2c(=O)",-9.995733153163403],["N3CCCCCC3)",-9.995981800961095],["c2nccs2)cc1",-9.996199151486374],["cc1C#N",-9.996357328379348],["▁CCOCC",-9.996403853434684],["▁CCc1nc(N",-9.996735896770309],["▁Cn1ccnc1",-9.9967774483719],["▁Clc1ccc2c(c1)",-9.99686088436031],["CSc1n",-9.997094172164946],["CCC3)",-9.997636688766637],["C[C@H]2C1",-9.99765729631326],["C)CC1",-9.997923908775965],["CC2)nn1",-9.9982233025022],["c1ccccc1)C(=O)N",-9.998231685868989],["c2cccc(OC)c2",-9.99846807765874],["N1CCC(O)(",-9.998755560182786],["▁CCOC(=O)c1n",-9.998765168125336],["▁NC(=O)c1ccc(",-9.99877357546853],["▁Cl.O=C1",-9.998910814413984],["CCN1CCCCC1)",-9.999084140618956],["▁O=C(O)c1cc(-",-9.999226323187964],["nc-2",-9.999231316965362],["c2nnn[nH]2)",-9.999585513034363],["S(=O)(=O)N(C)C)",-9.999859257383171],["c1cc(C(C)(C)C)c",-10.000095857393829],["▁Oc1ccc(C",-10.000141634828909],["c(C(C)=O)",-10.00017253608462],["cc2c1O",-10.0002680445707],["(Oc3ccccc3)cc2)",-10.00039893361356],["c2co",-10.000697867266307],["▁CCOc1ccc(C(=O)N",-10.00112279580989],["c(C)s1",-10.001269132773905],["(CCl)",-10.00147164363976],["C1=CC",-10.00167105528488],["▁C=CCN(CC=C)",-10.001959075207331],["OC)cc1",-10.003574895332967],["CCOC)",-10.00386437381286],["▁C=CCOc1ccc(",-10.004045465952412],["▁O=C1CCC(",-10.004189446084933],["C[C@H]2C",-10.005606878868544],["▁CCOCCCNC(=O)",-10.005645906270686],["▁CC(NC",-10.00576899884148],["c2c(O)n",-10.006032999306846],["▁CCCC(C)",-10.006086430962304],["c3ccn",-10.006093685522002],["[C@@H](F)",-10.006163011277554],["c1cccc(N)c1",-10.006239639076828],["c2ccc(C)",-10.00645791403058],["▁COC(C",-10.00667644107894],["C(=O)c3ccccc3)",-10.006938044386548],["c2ccc(O)cc21",-10.007197401239594],["C(=O)CNC(=O)",-10.007276365728856],["Cc2ccccc2)C1",-10.007344759777332],["▁N#Cc1ccc(-",-10.007634119704203],["CCNC1",-10.00784461099565],["Cn2ccnc2)",-10.008118597233402],["1CCC(",-10.008339677788417],["N1CCN(CC",-10.009516991612884],[")cc(OC)c1OC",-10.009610642513222],["c1nc(O)",-10.009763486537258],["[C@]1(O)C",-10.010168417498797],["C(O)C1O",-10.010481284383616],["C2CCCCC2)n1",-10.010881462315204],["C)c",-10.010961568238322],["▁OC[C@H]1",-10.0111331929201],["▁Cl.Cl.N",-10.01119375417587],["c2cc(Cl)",-10.011577736831182],["c1ccc(CC",-10.012267859463346],["N=C3",-10.012572374035177],["nc32)",-10.012690365948997],["▁CCCS(=O)(=O)",-10.013799677259104],["2)s1",-10.013934598516306],["N(CC2CC2)",-10.014107811405127],["c1nc2ccccc2o1",-10.01411896521268],["c1cccnc1O",-10.014133849578506],["c2ccccc2)cn1",-10.014152133079804],["c1cn[nH]c1",-10.014199836872796],["C(=O)N2CCN(C",-10.01420105280902],["OC(C)C",-10.014208234969534],["c1ccc(/C=C/",-10.014216944063003],["CCC3)cc1",-10.014297956232488],[")NCC1CCCO1",-10.014346507290284],["▁C[C@@H]1CC",-10.014543801722043],["c(C)c1C",-10.015434037647456],["c2C)",-10.015578625944046],["▁Nc1nc(O)",-10.0156340564985],["cc1-2",-10.015833307439948],["cnc2c1",-10.015836185498303],["c2nc3ccccc3n2",-10.016048233154056],["c2ccccc23)cc1",-10.016386880842],["▁CCOC(=O)C1=C",-10.016408336707311],["[n+]1",-10.016893046712031],["[C@H](O)[C@@H](C",-10.016927793606085],["▁CCCCc1ccc(",-10.017696418691138],["1C",-10.01776184817128],["C(=O)NC3CCCCC3)",-10.018203449811873],["C1C=C",-10.019046035187104],["▁CCOC(=O)c1c(N",-10.01975024482338],["[C@@H]4C",-10.019773217713514],["▁COc1ccc2[nH]c(",-10.01979477337197],["[C@@H](n2cnc3c(N",-10.01991442035601],["▁CCCn1c(=O)",-10.019919896581378],["▁CSc1nc",-10.020261054752304],["c(-c3ccc(Br)cc3)",-10.020337178507084],["NC1=NS(=O)(=O)",-10.021096192049454],["▁CC1(C)CC(",-10.021215937247351],["[C@@]1(C)O",-10.021405833122778],["c(-c3cc4c([nH]3)",-10.021628661233542],["NS(=O)(=O)c2cc",-10.021680073187744],["c1ccc(-n2n",-10.022072509318738],["▁COc1ccc(C(=O)NC",-10.022487952235997],[")[C@@H]1C",-10.023389528997384],["[C@@H]2O[C@H](CO",-10.023791885259786],["C(=O)NC(=O)NC1=O",-10.024184752564755],["▁Cl.N=C(N)N",-10.024383578502931],["▁C[C@@]12CC",-10.025120261414711],[")C3",-10.025127499715325],["no[n+]1[O-]",-10.025137898434323],["N=C(N)N=C(N)N1",-10.025142708980033],["c2ccccc2)cc1OC",-10.025301411815724],["C1CCCN1",-10.025328387139751],["sc2ccccc12",-10.026267595101642],["▁[C-]#[N+]",-10.02637337449733],["2ccccc2[n+]1[O-]",-10.02665301498487],["c1coc(",-10.027410935128216],["▁COc1ccc(C)cc1N",-10.027587573337197],["Cc1ccccc1)C(=O)O",-10.027949484179128],["c1ccc(C)o1",-10.028226233604752],["▁CC1CN(C(=O)",-10.028252445395504],["CN1CC2",-10.028328672401049],["nc2c1c",-10.028360944315452],["c(=O)c3",-10.028435724075427],["Nc1n",-10.028577577588251],["(SC)",-10.028792561948748],["C=N",-10.028928887749124],["cnc2",-10.029040186886816],["[n+](",-10.029158036379812],["[C@H](O)[C@@H](O",-10.029201022055016],["ccc2O1",-10.029542719744546],["c1ccc(Br)s1",-10.029589498193705],["CC2CCCO2)cc1",-10.030312685844654],["c1cc(=O)[nH]",-10.030670615111204],["▁O[C@@H]1C",-10.030764325471386],["▁Cc1cccc(-",-10.031187274562257],["▁CC(=O)Oc1ccc(",-10.031495919252382],["C2COc3ccccc3O2)",-10.03151097397848],["C(C)(C)C1",-10.03175151178462],["[nH]c3ncccc23)",-10.031768273261232],["N2CCCCCC2)",-10.031867376521106],["C[C@H](N",-10.031900978160769],["c2cc(=O)",-10.032141966875194],["c1ccc(N2C(=O)",-10.03261717100242],["▁CC(=O)N(C)",-10.032767616542433],["c2cccc(F)c2)c1",-10.03277497066033],["CC(=O)N/N=C/",-10.032809391954718],["3CC",-10.032950396856616],["▁Oc1ccc(-c2n",-10.033039584752114],["Cc3cccs3)",-10.033138706599168],["Cc3ccncc3)",-10.033173386904092],["n(-c2ccccc2)",-10.033200110908249],["▁O=C1/C(=C/c2ccc",-10.033924001930568],["c1ccc(NC(=O)C",-10.034193501322548],["nc23)cc1",-10.034387639731635],["c4cc5c(cc4",-10.035392463597052],["/C=C/c1cc",-10.035463096386207],["C(F)(F)C(F)(F)",-10.035763860241612],["c2cc3ccccc3cc2",-10.035927107257612],["NCCO)",-10.03638149078779],["c2ccccc2)nc1",-10.036411243688644],["c(-c3ccccn3)",-10.03652177133596],["c2ccccc2)N1",-10.036538911275798],["CC(c1ccccc1)",-10.036940566935982],["[C@H]1[C@H](",-10.037183368283635],["C3CCCO3)",-10.03726487617357],["c(C)n1-",-10.03738307767956],["2Cc3ccccc3C2)cc1",-10.03790148946598],["c1ccccc1)N1CCN(",-10.038066556854004],["▁Cc1nnc(SC",-10.038210383189984],["C(=O)NC(C)C)",-10.038577708440553],["n4",-10.039764646610264],["c1ccc(NC",-10.039830604198372],["CC(N)=O)",-10.039846851140556],["▁Fc1ccc(-c2n",-10.040102914822548],["▁Cc1nc2c",-10.040179713989287],["c1cc(C(=O)",-10.040353717728737],["▁C(#C",-10.041631899543436],["ccc1Br",-10.041997582428143],["c1cc(N",-10.042183369617751],["▁CCC(C)(C)",-10.042427998715636],["c(NS(=O)(=O)",-10.042447559094178],["C1=C2",-10.042946003090876],["▁Cc1ccc2c(",-10.043031997301066],["▁CCOc1ncccc1",-10.043266970614456],["nc1Cl",-10.043350774024177],["c1cc(F)c",-10.04353780692529],["N2C(=O)/C(=C/",-10.04384701969836],["nc3c2",-10.043849613542314],["C[C@@H](O",-10.044118254993434],[".O=C(O)/C=C\\",-10.044153326685612],["c2ccc(O)c(OC)c2)",-10.04457836520833],["C2CCCO2)",-10.045174408040268],["c1Br",-10.045362873323487],["C(=O)OC(C)C",-10.045381606149412],["▁Cn1cc(-",-10.046040062857042],["CC2CCCCC2)",-10.04604261161431],["n(S(=O)(=O)",-10.046128499297671],["C(Cc2ccccc2)",-10.046468343776452],["C(O)CO",-10.046727147382851],["N2CCC(C)CC2)",-10.047178697986784],["NC(=O)c2ccco2)",-10.047194867777913],["/C=C/C",-10.047622011238872],["c[nH]c12",-10.047837990602968],["▁O=C(Nc1nnc(",-10.048347087972733],["c1c(-c2ccc",-10.048395314404376],["N1CCC2(CC1)",-10.049154211884332],["C(=O)NCc2ccccc2)",-10.049773102578117],["c2cccc(F)c2)CC1",-10.049815821325312],["c(=O)[nH]2)",-10.050406471782932],["[C@@](",-10.0506843922261],["C(=O)N1CCC",-10.050915304080418],["c2ccnc(N",-10.051539118526902],["(=O)c(C(=O)O)cn3",-10.051736579220924],["(CCN(C)C)",-10.052001577475613],["c2ncc[nH]2)",-10.05277232441938],["(-c2ccc(Cl)cc2)n",-10.05307800883368],["▁COc1ccc2nc(N",-10.05347166121037],["c1ccc2nc",-10.05418114790755],["c(Cl)n",-10.054190839506145],["[N+](=O)[O-])CC1",-10.054257965662384],["n2)nc1",-10.05513666248378],["c(OC(C)C)",-10.055609936171264],["n1nc(-c2ccccc2)",-10.055615059077804],["▁CCOC(=O)c1",-10.05563223122232],["▁CCC1(",-10.055829528623194],["[C@H](c3ccccc3)",-10.05602659149689],["[C@H](C)NC(=O)",-10.056210095562252],["[C@]3(O)",-10.056242004530969],["c3ccccc3)cc12",-10.05656759683391],["(OC)c(OC)c(OC)c",-10.056891830931146],["c1ccc(OC)c(",-10.057086497735929],["[C@H](CC(C)C)N",-10.057184565361982],[")c2c1",-10.057634240526166],["CN3C",-10.05838442298505],["c2ncccn2)CC1",-10.058674895245844],["C(=O)CCC",-10.058706230417844],["C(=O)NCc3ccco3)",-10.059216770588012],["nc3cc(Cl)ccc23)",-10.059264556637816],["▁C=CCn1c(SC",-10.05976504661723],["▁COc1ccc2c(c1OC)",-10.06003868963742],["(S(C)(=O)=O)cc3)",-10.060042614549802],["[C@]3(C",-10.0602611549887],["c2ccccc2C",-10.060470755844204],["C(O)c1ccccc1",-10.060607278684742],["▁CS(=O)(=O)N(C",-10.061159057593947],["▁CC(O)C",-10.061398801678472],["N1Cc1ccccc1",-10.061399107044435],["c(NC(=O)c3ccco3)",-10.061535790768485],["B",-10.061908931374438],["C[C@@]1(O)",-10.062564844216404],["N(S(=O)(=O)",-10.063192101213092],[")Nc1nccs1",-10.063386100605832],["[C@@H]1CCC",-10.063428429008274],["c23)CC1",-10.063631944633496],["n2c(=O)[nH]",-10.06379260491984],["▁O=C(NCc1ccccn1)",-10.063978712318868],["C(=O)N1c2ccccc2",-10.064184336924974],["▁Cc1ccc(OCC",-10.06420232610729],["Cn1c(",-10.064909363025372],[")N2",-10.065270800707331],["c2cccnc2)n1",-10.065321680675732],["▁N[C@H]1C",-10.065487626440149],["c3ncn",-10.065562600117053],["S(=O)(=O)N2CCC(",-10.066202896453207],["c(C)n1C",-10.066210875528196],["Cn2ccnc2)cc1",-10.0663096487912],["NCC(=O)N",-10.066491724107152],["nnc1-",-10.066967218769346],["c(C(F)(F)F)cc1)",-10.066982842173385],["c2cc(C)c",-10.066984919205034],["C(=O)c3ccco3)",-10.067294187936884],["NC(=O)[C@H](C",-10.067615369873332],["cn2)CC1",-10.06775348972626],["▁Cc1cccc(NC(=O)N",-10.06789398331027],["(CCCC)",-10.067924971305102],["CC(C)(C)N1",-10.067976448785206],["NC(=O)CSc1n",-10.06808737450779],["/N=C/C=C/",-10.069023108117044],["c3cc(C)on3)",-10.06939250082986],[".O=S(=O)(O)O",-10.070199977808338],["n1c(=S)[nH]",-10.070212781087829],["CN(C)S(=O)(=O)",-10.070360526218307],["c2nc(N)n",-10.07059904171782],["cc2C(F)(F)F)",-10.07065897683461],["c1ccc(O)c(OC)c1",-10.072376890835322],["▁CC1=CC(C)(C)N",-10.072695921930524],["c2ccccc2)C(=O)N1",-10.073008459621327],["C3)n1",-10.073509560130924],["c2ccccc2F)C1",-10.073553552783048],["▁CC1Cc2ccccc2N1",-10.07359874759432],["nc2c1ncn2[C@@H]1",-10.07359995305672],["▁Nc1nc(N)",-10.073640426849996],["C2(C)C)",-10.073814790271127],["c(-c4ccccc4)",-10.073984422522017],["c1cc(Br)c",-10.074038694723493],["cc2C)",-10.07405654594015],["c(Cl)cc1Cl",-10.07428537583194],["N=C1C",-10.074459221687528],["▁C/C(=C\\C",-10.074628840699408],["O/C(O)=C1\\C(C)=N",-10.074683117777646],["(Cc2cnc(N)nc2N)c",-10.074802661752605],["CCCCCC(=O)N",-10.0749281386935],["NC(=O)c1cccnc1",-10.075514034142806],["cc(=O)c2c1",-10.075515059196428],["n3ccnc3)",-10.075563097571337],["▁Cc1cc2c(cc1C)",-10.076097832532458],["c3c2)c1",-10.07617794699847],["cc(C(F)(F)F)c3)",-10.076237899018588],["C(c1cccnc1)",-10.076256673533],["cc2-",-10.076905860174236],["B(O)O",-10.07692749019508],["c2c(C)[nH]",-10.07719730604595],["c2ccc(OC)cc12",-10.07721220361046],["cc(C(=O)O)",-10.077354076897066],["CCCN)",-10.07754508984879],["▁COC(=O)C1",-10.077557564731872],["O[C@@H]",-10.077724723443996],["ccc1NC(=O)",-10.077952270363664],["oc1",-10.078322059061666],["CO)cc1",-10.078435289963204],["▁Cc1ccc(NC(=O)CC",-10.078470919550275],["C2)nn1",-10.078698560368233],["CCc2c[nH]cn2)cc1",-10.078896160870055],["c2ccc(N)cc2)cc1",-10.079094612752163],["c2c(C)cccc2C)",-10.079420712770304],["c(-c3ccc(OC)cc3)",-10.079586247149896],["▁COc1ccc(-c2ccc(",-10.079607801235015],["N2CCN(C)CC2)cc1",-10.079746350972387],["c1ccc3c(c1)OCO3)",-10.08004152716731],["c2O)cc1",-10.080443641379464],["▁C/C(CC(=O)N",-10.081132562041743],["C(=O)NC1CC1",-10.08132391643489],["N1CCc2c(",-10.08146664519766],["c2ccccn2)n1",-10.081763654300495],["▁CNc1cc",-10.081833481718803],["C1CCCN1C(=O)",-10.082258347789493],["c1cccc(CN",-10.082323512452778],["CN3",-10.082351182186642],["/N=C1/",-10.082397905032092],["▁O=C1CO",-10.082635211824078],["c1ccc(C(=N)N)cc1",-10.08279133408779],["▁Cn1c(SC",-10.083935499464523],["NC(=O)c2ccccc2)",-10.083946406470831],["N(CC)",-10.084196387711208],["n2nc(C)",-10.084440430566172],["▁Cc1cccnc1",-10.084457117625348],["Cc4ccccc4)",-10.08480204266648],["c(N)c2",-10.085537791570143],["c2c[nH]nc2-",-10.085716191968512],["c4cccc(Cl)c4)",-10.085743522043453],["CC(N",-10.08645845485384],["[C@@H]2CCC",-10.086539047124395],["C34CC5CC(CC",-10.08667471831518],["Cn3ccnc3)",-10.087749507931717],["NC(=O)Nc2ccc",-10.08821003961163],["C1(c2ccc(Cl)cc2)",-10.088373252024551],["C(=O)[C@@H]1C",-10.088493350258611],["▁CC1=C(C(=O)O",-10.088830353259196],["▁CN(C)CCCN",-10.089004529675009],["c1ccc(Nc2nc",-10.090379915855182],["c(Oc3ccccc3)c2)",-10.090566484811031],["▁COc1ccc(-c2noc(",-10.09072303895425],["▁COc1cc(O)c2c(c1",-10.09096451416167],["▁O=C(Cc1cccs1)N",-10.091667955057114],["cc(-c2ccc",-10.092192423355415],["c3ccccc3)cc2)",-10.09220327189004],["n(-c2ccc(F)cc2)",-10.092327860765971],["▁O=C1NC(",-10.092478532874],["▁Cl.NCC",-10.092772258016469],["[C@H]1C2",-10.092880364479855],["c1cc2c(cc1Cl)",-10.092973590154918],["▁Cc1cc(C)c(N",-10.093033703523565],["▁O=C(Nc1ccccn1)",-10.093276543537808],["c(=O)n2",-10.09328396265024],["▁Cc1cc2c(cc1",-10.093440035309978],["/N=C1\\",-10.0936288889247],["c1ccccc1S",-10.093704628465323],["▁CCN(CC)CCO",-10.093979018320695],["c1ccc(C#N)cc1)",-10.093990541646424],["N=C(S)",-10.094448905255204],["▁C/C(=N\\NC(=S)N",-10.094678803810291],["c2c(n1)",-10.094770435199267],["▁CCCn1c(",-10.09482952043978],["(N2CCOCC2)",-10.094887016296765],["c1ccc(-c2cn",-10.095269980822364],["▁N#Cc1c(-",-10.095338614360305],["▁CCOC(=O)C1",-10.095681660957789],["c1ccc(-n2cc",-10.095975820715314],["c2ccc(C)cc2)c1",-10.096484059758518],["N1CCN(C(=O)c2cc",-10.096526496999813],["▁N=C(NOC(=O)",-10.096706978773126],["c2cccs2)c1",-10.096800365493737],["c3ccccc3)c2c1",-10.09783092503734],["▁CO[C@@H]1",-10.097835689062984],["[C@]",-10.097996563849652],["nc(S",-10.098090081811804],["▁Nc1ncc(-",-10.09811972590438],["▁COc1cc(O)c(",-10.098905666781508],["▁COCCN1C",-10.099232689125046],["N=O",-10.099495810063011],["▁CC[C@@H](C)",-10.099520953497247],["C2CC2)n1",-10.100289974774302],["C(=O)/C1=C/",-10.100292558480376],["C1c2ccccc2-",-10.100349906343196],["▁O=C(CCl)N",-10.100449489462662],["[nH]c",-10.10066083652599],["c(Cl)c2)",-10.100882586397915],["S(C)(=O)=O)c1",-10.101213183142631],["c4ccccc4F)",-10.101389286105157],["▁C=CCN1CC",-10.10170728183679],["NC(=O)CNC(=O)",-10.101767893657785],["▁C[C@]12C",-10.10183458005776],["/c(=N/",-10.101990351800977],["c5cc",-10.102503485024222],["c2ccc(C#C",-10.102849843038864],["c(SCC(=O)N",-10.102874069646631],["▁OC[C@H]1O[C@@H]",-10.103285725980598],["▁CCN1CCN(C(=O)",-10.103409739086205],["C1c2ccccc2O",-10.103755040358978],["COC1",-10.10385990239148],["CNC(=O)c1cc",-10.103961874504115],["C1COc2ccccc2O1",-10.105098291382577],["c2cccc(N)c2)",-10.105126360363451],["S2(=O)=O)cc1",-10.105399647468827],["c2nn[nH]n2)",-10.105535052716665],["(C(=O)O)cc2)",-10.106038556712704],["▁O=C(COC(=O)C",-10.106106185061911],["▁Fc1ccc(-",-10.106357286163966],["[C@@H](C)O",-10.106382489445627],["/C=N/O)",-10.106910363009783],["▁O=c1cc(C",-10.10727167064752],["C2=C(C",-10.107296489336498],[")N1CCCc2ccccc21",-10.10737663278364],[")n2C",-10.107454560847057],["▁CCN(CC(=O)N",-10.107753619938444],["c2c3c(cccc13)",-10.108293215118366],["C1CCCCN1",-10.109296567428215],["cc(NC(=O)",-10.109474970157027],["▁O=C(O)c1ccc(-",-10.109477217007456],["c1c(F)cccc1F)",-10.10961926525367],["CC2CCCO2)",-10.109620834970652],["C(CNC(=O)",-10.10978940215648],["c4ccc(F)cc4)",-10.109930903910568],["c2ccc3c(c2",-10.109963297103846],["C(=O)C3",-10.110078145251151],["/C=C2/C(=O)N",-10.110164655297451],["O3)cc1",-10.110701277690607],["N1CCC2(CC1)C",-10.110754981825558],["▁O=c1[nH]c(",-10.1115558272984],["▁CCCCC/C=C\\C/C",-10.111630029457825],["C#N)c1",-10.111805816177302],["[nH]c(=O)c12",-10.111811442104344],["N/N=C\\",-10.112256735667234],["c(-c3ccccc3)c",-10.112379237425673],["N(Cc2ccccc2)C",-10.113250764625672],["▁C[C@H]1CC",-10.113417190725135],["▁CNc1nc",-10.113638749007109],["C2(CCCCC2)",-10.114020474868692],["▁COc1ccc(Br)cc1",-10.114150828176683],["▁CS(=O)(=O)Nc1cc",-10.114595065545384],["Br)cc1",-10.114728577050151],["c1nc(N)nc2c1ncn2",-10.114799825331442],["c(O)nc1C",-10.114936939247915],["▁COC(=O)c1c(N",-10.115189664776292],["▁CN(C)c1nc",-10.1158327165601],["C(=O)N(c2ccccc2)",-10.11600792452729],["c2cccnc2n1",-10.116070526113678],["c1ccccc1O)",-10.116133168632937],["c1cc2c",-10.116173554038228],["c1cc2c(cc1O)",-10.116292499127749],["[C@@H]2CCCN2",-10.11654578043041],["CC1.Cl",-10.116697029306437],["▁Cc1n[nH]c(C)c1",-10.116746399894105],["C(=O)NC1CCCC1",-10.116747544611258],["▁CN(c1ccccc1)",-10.117091679586604],["▁COc1ccccc1-c1n",-10.117375823847222],["▁Cc1nnc(SCC(=O)N",-10.117410378374636],["▁CC1(C(=O)N",-10.117435938990951],["▁CCOC(=O)CC",-10.117563914277753],["c1c(F)cccc1Cl",-10.117658499992688],["c3cnccn3)",-10.117909978011568],["c2cc(O)c",-10.118482043738664],["C1CCCCCC1",-10.118851800262789],["cc13)",-10.119345592792085],["C[C@@H]1C(=O)O",-10.119411992261355],["S(=O)(=O)c1cccs1",-10.119486337514552],["3CCCCCC3)",-10.11949380519583],["Nc1cccc(Cl)c1",-10.119518401514226],["NC(=O)N(CC(=O)N",-10.119668938022858],["(C(=O)OC(C)(C)C)",-10.119671000016147],["c3ccc4ccccc4c3",-10.119704848509633],[")c1cc2ccccc2o1",-10.119857554027517],["▁COc1",-10.119945562317216],["NC(C)",-10.120227484799091],["c2ccc(Oc3ccccc3)",-10.120450987324356],["C(C)C)n1",-10.120619299183286],[")N1CCc2ccccc21",-10.120691883399427],["C1CCCN(S(=O)(=O)",-10.121049267019682],["▁Cc1nc(NC(=O)",-10.121138595668208],["P(=O)(O)C",-10.121351836272336],["c4cccnc4)",-10.1213651812877],["CCO2",-10.121735762004452],["c(-c2ccccc2)nn1",-10.121886090920889],["n2ncnc2n1",-10.122029394496575],["c1nccnc1",-10.122533953217452],["=C\\C/C=C\\C/C=C\\C",-10.122678309045202],["C(=O)N3",-10.12284379343966],["c(=O)c2ccccc21",-10.122857291635723],["c4ccncc4)",-10.122954527147716],["N1C(=O)c2ccccc2",-10.12306755311529],["C(=O)NCCc1ccccc1",-10.123088898291396],["c1ccc2c(c1)CCCC2",-10.12312792501973],["▁CCCc1cc(=O)oc2c",-10.124359829900207],["C2=O)c2ccccc21",-10.12443792151254],["n2c(C)c",-10.124698042487],["▁COc1ccc([C@@H]2",-10.124717863388092],["[C@]12CC",-10.124900171340451],["C(=O)O)cc2)cc1",-10.125181485129868],["/c(=N\\",-10.1260761225491],["CCNC(=N)N)",-10.126251208878813],["[C@@H]3CC",-10.126348208417134],["CCCC3",-10.1266243176905],["▁CCNc1n",-10.127706556217984],["[C@H](OC",-10.12779830977855],["nc34)",-10.12803730315199],["C[C@@H](O)C",-10.128154778495665],["▁Cc1ccc(C(C)C)c(",-10.128341914615543],["c(=O)n1-c1ccccc1",-10.128470457057364],[")[C@@H](O)[C@H]2",-10.128659459586109],["c(-c3ccccc3Cl)",-10.129044684967695],["nc(-c3ccco3)nn12",-10.129054409277812],["Cc2ccccn2)",-10.129114157771935],["CCCc1ccccc1)",-10.129119955953346],[")NCC",-10.12934258278403],["nnc1-c1ccccc1",-10.129482926038095],["▁COc1cc(/C=N/",-10.129979424496202],["nc(Cl)",-10.130109350663597],["COc1ccc(Cl)cc1",-10.130383513156993],["C1=C(C)C(=O)",-10.130387830551784],["C1CC2CCC1C2",-10.130662264051654],["CC3CC3)",-10.130684268990276],["CC2)c1C",-10.1309383467502],["S(=O)(=O)N1C",-10.131645632564195],["nc(N(C)C)",-10.13196809998113],["c2csc(",-10.13222545167206],["(C#C",-10.132302469321449],["(OCc3ccccc3)cc2)",-10.13231041556125],["(F)c(F)c(F)c1F",-10.132385281319287],[")NC12C",-10.13253994868244],["(O)[C@H]3O)c2n1",-10.132540293557604],["n1c(-c2ccccc2)n",-10.132788522441274],["Nc2ccccc2",-10.13282614305568],["/N=C(\\N)",-10.133020224921324],["c2c1CCC2",-10.133183880555082],["c(F)c1F",-10.133493235775786],["▁O=P(O)(O)",-10.133649344145509],["c2oc3ccccc3c2n1",-10.133935615814528],["N1CCCC1=O",-10.13414979976282],["O[C@H]3",-10.134637484395377],["[C@]1(C)C",-10.13480168133783],["▁COc1ccc(-c2nn",-10.135044915267311],["c(-c2ccccc2)cc1)",-10.13557908692988],["▁C[C@H](C",-10.136307751046868],["c1ccc2c(",-10.136751649058382],["▁COc1ccc(-c2cn",-10.13718168293302],["CN3CCOCC3)",-10.137625495346132],["nc3ccccc23)c1",-10.137650306712938],[")c1ccc(Cl)cc1Cl",-10.138059000619112],["▁O=C(OCc1ccccc1)",-10.138583285203808],["3CC(CC(C3)C1)C2)",-10.1391830934698],["C(O)CO)",-10.139187270525108],["[C@H]23)",-10.139730828277765],["[nH]1)",-10.13975839938902],["▁O=C1C=C(N",-10.140056307154357],["c1c(C)cc(C)cc1C",-10.140056940276407],["[N+](=O)[O-])n1",-10.140122210768794],["▁CCCN1C(=O)",-10.140312243681404],["[C@]23CC",-10.140606912649648],["/C=C/c1ccccc1)",-10.14065754467589],["C(=O)N1CCCC(",-10.140665498963385],["n1cccc1",-10.140712317849788],["c2cc3ccccc3s2)",-10.140753615471084],["(C(=O)N(C)C)",-10.140760475538524],["C2C=C",-10.141005765871096],["cc3F)",-10.14126140889341],["C(C)(O)C",-10.141282712257432],["c2cc(OC)ccc2OC)",-10.141546413498228],["CCCN1CCN(",-10.141785429066037],["S(=O)(=O)CC",-10.141873439398928],["c1nc2ccccc2s1)",-10.141974561335577],["CNC(=O)N",-10.142255044465813],["c1cc(F)c(F)cc1F",-10.143266916646144],["▁CCCCCCCCc1ccc(",-10.143489583302442],[")CC[C@H]4[C@H](C",-10.143723961203492],["c1cncc(-",-10.143778327360756],["▁CC(C)c1n",-10.143840656617034],["CC3CCCO3)",-10.144096832741011],["c1cc(O)c2c(c1)O",-10.14462399248708],["▁COc1ccc2c",-10.14472836460578],["nc(O",-10.14517837894974],["C(=O)Nc2ccccc2)",-10.145488315897245],["▁Cc1cc(C)n2nc(",-10.145669040830258],["CC(N)",-10.145762120595476],["c1ccc(OCC",-10.14580563611928],["c2c(=O)n(C",-10.146388892066316],["▁COc1cccc(N2CCN(",-10.146456322205395],["nc2cc",-10.14657995783196],["C(C)C)CC1",-10.146971717201083],["c1cc(C",-10.147212191192484],["c3c(n2)",-10.14741128376964],["CCC(",-10.147822647199046],["c2ccccc2)c(C)c1",-10.148591630188658],["S(=O)(=O)c1ccc(N",-10.148654397047306],["c2cccc(C(=O)N",-10.148971416825177],["CCN(c2ccccn2)CC1",-10.149202711552586],["Cc2ccccc2)n1",-10.149312848164495],["[C@H](Cc2ccccc2)",-10.149511471504702],["▁C[C@@]1(",-10.149815749808806],["CCCCCC(=O)O",-10.149839235415886],["/C=C/C(=O)/C=C/",-10.150192785492727],["C12CC",-10.150379386610162],["NCC2",-10.150515850416587],["▁CCOC(=O)c1c(C)",-10.150571790012158],["SC(N",-10.15075360993654],["▁C/C(",-10.151617575541025],["C(=O)Nc1cccnc1",-10.152642624956032],["/C(=C\\c1ccccc1)",-10.15273648623683],["▁CC(C)C(NC(=O)",-10.152824559593046],["c1ccc(/C=C/c2cc",-10.15283165311097],["C(Cl)",-10.153040217161234],["c(-c3ccc(C)cc3)",-10.153236974210618],["c(-c3ccoc3)",-10.15323775917932],["c3ncc",-10.153626087198097],["c2ccc(F)cc2)s1",-10.15390270270543],["N1C(=O)/C(=C/",-10.153963956707509],["CC1CC1",-10.154002615277747],["CCNC2",-10.154267805171196],["C(=O)OCC(=O)NC",-10.15431575633227],["C[C@H](C",-10.154540790892424],["(C3CC3)",-10.154544381645252],["▁CCCCC/C=C\\C",-10.154787176953892],["c1nnc(-c2ccc",-10.154926918582357],["▁COc1ccc(O)c(",-10.155024435389876],["▁NS(=O)(=O)c1ccc",-10.15516749428028],["S(C)(=O)=O)CC1",-10.155687498684289],["CCCCO",-10.15595442248688],["▁CN(C)c1cccc(",-10.156195604494792],["NC3",-10.15634670485111],["n2c(",-10.156709093672216],["[C@H]1C=C",-10.156730152146206],["▁Cn1cc(C(=O)",-10.157181821407764],["1CCCCC1",-10.15726854161828],["▁COC(=O)[C@H]1C",-10.157530251432725],["C=C12",-10.158145544234973],["▁O=C(N[C@H]1C",-10.158386698282689],["C1(c2ccccc2)",-10.15844445361663],["[C@]12O",-10.158673947633147],["c3cccc(Cl)c3",-10.1586889145748],["▁Cc1cccc(C)c1OC",-10.159274491031614],["C1CC2CCC(C1)N2C",-10.15927834122168],["▁Cc1n[nH]",-10.159520767634124],["N1CCCC1)",-10.15956137005411],["c1ccc2ncccc2c1",-10.15978834081605],["c1nccs1)",-10.159876361111916],["C2=NCCN2)cc1",-10.160021547083408],["▁Cc1ccc(C(=O)NC",-10.16007785659452],["▁Nc1cc(",-10.16016802030008],["n(-c2ccc",-10.160281437729154],["CC2)C1=O",-10.160667419734846],["c1cc(C)n",-10.160690168384043],["N(O)",-10.160958026560792],["▁O=C(CCN1C(=O)",-10.161245347956744],["▁N=C(N)NCCC",-10.161285948257373],["▁Nc1ncc",-10.16161903636891],["▁Nc1ccccc1",-10.161673168764636],["▁O=P(O)(O)C",-10.161922512751966],["nnc(-c2ccccc2)o1",-10.162027228271416],["CCN1CCC",-10.162041444292026],["Oc2cc",-10.162333229982876],["▁COc1cccc(-c2cc",-10.162404806676443],["C(O)(C",-10.162436569613496],["▁Cc1nn(-c2ccc",-10.162441911777352],["nnc3",-10.162458266057346],["c2)cc(OC)c1OC",-10.162744087629871],["Oc2ccc",-10.162801369157329],["C(C)(C)N",-10.163433671453838],["(CN",-10.163508570653224],["[C@H]2O1",-10.163696514837216],["c2ccccc2NC(=O)",-10.163863050949832],["=C/",-10.164125325579532],["▁OCCN",-10.16426302284043],["o2)s1",-10.164494287298847],["▁Clc1ccc(-c2c",-10.1645721757504],["c3ccc(-c4ccccc4)",-10.164600618738998],["O4)",-10.16493434551888],["-c2ccccc2)",-10.164958641266534],["▁O=C(N[C@@H](C",-10.165137133952705],["▁Nc1ccc2c(c1)",-10.165184208866725],["c2c(C)noc2C)",-10.165202169423374],["2CCOCC2)",-10.16559621883598],["▁Cc1cc2n",-10.16586130639478],["n(-c2ccc(Cl)cc2)",-10.165957770741183],["▁COc1cc(OC)cc(-",-10.166173698305798],["C[C@@H]2C1",-10.166235300762873],["▁Cc1ccnc(NC(=O)",-10.166311588262047],[")Nc1ccccc1Cl",-10.16644470009966],["▁CNC(=O)c1c",-10.166972726608464],["C/C=C/",-10.167265254830747],["▁O=C(c1cccs1)",-10.168100101431186],["▁CCN(CC)CCC",-10.168851081330216],["o1)",-10.16912689073563],["CCN(c2ncccn2)CC1",-10.169222630757377],["[C@@H]1c1ccccc1",-10.169352381829338],["Cn2n",-10.169518286512096],["C2N",-10.16952164718992],["Nc2ccccc2)",-10.16990442802866],["▁O=C(CSc1nnc(",-10.16994712542569],["▁CC(C)c1nc(",-10.170012258358186],["c3ccoc3)",-10.17056613424598],["c(CS",-10.170618591535511],["▁O=C1C(=O)N(C",-10.170788304336533],["▁CC(=O)NC[C@H]1C",-10.170810226342144],["c1ccc(Cl)cc12",-10.171301848116618],["nn23)",-10.17137829995182],["▁CC1CN(C",-10.171413191173205],["c(=O)c2cc1OC",-10.171769530842994],["cc2O1",-10.1720604112053],["▁Cc1cc(=O)",-10.173144675641382],["c2nc3c",-10.173215354841886],["▁Cc1c(O)c",-10.17332240490029],["c1ccc[nH]1",-10.173507517136072],["▁CCCS(=O)(=O)N",-10.173718066054883],["c(N3CCNCC3)",-10.174189124950637],["C[C@@]21C",-10.174466229586727],["▁CCN(CC)CCN",-10.1745094497742],["c2ccc(F)cc12",-10.17457100762244],["[C@@H]1C[C@H]2",-10.174782542250323],["c1c(OC)cc",-10.174832598317778],["O[C@@H]1O[C@H](C",-10.174909660911515],["▁O=C(Nc1",-10.175087984457692],["▁Cc1cccc(-c2n",-10.175562789023887],["C(=O)[O-].[Na+]",-10.175610688131831],["(C(=O)OC",-10.17584366776238],["C[C@@H]32)",-10.175949125272249],["c(S)",-10.176239819849124],["C(=O)N[C@@H](C)",-10.1763433066895],["n21",-10.176440339322957],["c4ccccc4C3=O)",-10.176575090105544],["▁CC(=O)N(C",-10.177014888598656],["c1nc[nH]c1",-10.17704660083514],["c3c(N)ncnc32)",-10.177501403859456],["Oc2ccccc2",-10.177836689207208],["-n2cccc2)cc1",-10.177993178226233],["▁C1C",-10.178104590430934],["▁CNC(=O)C",-10.178176679988072],["c1ccc(N2CCN(",-10.178193646143798],["▁CN(CCC",-10.178807355275085],["c(=O)c21",-10.17932295860948],["C[C@]12C",-10.179340440378985],["c2c(F)cccc2",-10.179442371167209],["(C(=O)c3ccccc3)",-10.179480956501129],["▁C=C1CC[C@H]2",-10.179617781355285],["c(CO",-10.17969457565368],["Cc3ccco3)",-10.1797910855202],["c1=S",-10.179962055853444],["CC(=O)O)C(=O)O",-10.18004510486427],["▁CCCCn1c(=O)",-10.180060475407934],["sc(C)c1C",-10.181026948670551],["▁CC1CCCN(",-10.18139861476402],["c1nc(NCc2ccccc2)",-10.181981414424932],["n2nc(",-10.182051715039828],["(OC)c(OC)c(OC)c3",-10.182293850662088],["c(-c2ccc(O)cc2)",-10.182496878977023],["c1ccc2[nH]c(",-10.182556646424969],["▁Cc1ccc(F)cc1",-10.182837495660984],["▁CCc1ccc(C",-10.182942113058246],["OC[C@H]1",-10.183051332416175],["c(-c2cccc(Cl)c2)",-10.183264374580672],["Cc2cccs2)",-10.183757658178546],["C(C)C)c",-10.1838275803255],["Nc2ccnc3cc(Cl)c",-10.183878171922672],["2)C1=O",-10.18400953976638],["C2CCCCC2",-10.184054550459194],["c2sccc2n1",-10.184119561708192],["c5",-10.184618182533072],["c1c2ccccc2c",-10.18481172586361],["C(=O)/C=C(\\O)",-10.184854123057072],["▁CCN1CCCC1CN",-10.184995821976983],["cn4)",-10.185393053144626],["▁C[C@@H]1CCCN1CC",-10.185467371951788],["/C=N/NC(=O)C",-10.185642030084727],["c1cc(Cl)ccc1OC",-10.185886474621835],["N(C)C(=O)C",-10.186329467416623],["c(S(C)(=O)=O)c",-10.186603140401408],["C[C@@H]",-10.186639035081622],["▁O=C1c2c",-10.18664048500034],["1)C",-10.186923960625396],["▁CC(C)c1cc",-10.18705331000833],["N1CCN(c2cc",-10.187062891897632],["CC(C)O",-10.187782443401282],["cc(O)c1O",-10.18790003807119],["c1ccc(CN2CC",-10.187934113701935],["▁COc1cccc2c1CC",-10.188428950589609],["[C@H](O)CO)",-10.189334570590454],["CCN3",-10.18951263761394],["c2nc3ccc(Cl)cc3",-10.189878132823155],["c(C(F)(F)F)cc2",-10.189984438502677],["N=C(C)",-10.190263581124745],["c2cccc(C(=O)O)c2",-10.190454890230637],["C1CCN(CC",-10.190850940985904],["CC(C)(C)C",-10.19103867510903],["C(=O)O)c",-10.191041605220905],["N1CCC(N",-10.19121702867385],["n2ccnc2",-10.191448981577288],["c2cccc(F)c2",-10.191638556685852],["▁N=c1",-10.191790945131324],["c(-c3cccc(O)c3)",-10.191801490262216],["c1nn(C)",-10.192376753465297],["▁Fc1c",-10.192397157339112],["OC2=O)cc1",-10.192844841927256],["c(CNC",-10.193057547252646],["▁CO[C@H]1",-10.19312854980841],["▁C[n+]1c",-10.1934126684523],["▁Nc1cnc(-c2cc",-10.193550468526546],["/C=C",-10.194253725659395],["N(CCO)",-10.194295879973629],["c2ccccc2Cl)n1",-10.194586095883182],["c2ccc(N)cc2",-10.19481579638133],["▁Cn1cc(-c2cc",-10.194920537191376],["C(C)(C)C2",-10.195117058568671],["3)CC2)cc1",-10.195195886934677],["c2cc3ccccc3",-10.195242116499331],["CC(C(=O)O)",-10.195598076661724],["Oc1ccccc1N1CCN(C",-10.19583894378394],["c2c(-c3ccc",-10.195844265245976],["c2[nH]cnc2",-10.196350258815208],["C(=O)c2cn",-10.196394621963972],[")c(=O)[nH]c1=O",-10.19652989824046],["1CCN(",-10.196640712104124],["▁COc1ccc(/C=C2\\",-10.196731355048522],["c2cccc(Cl)c2)n1",-10.197151198243876],["c[n+](C",-10.19715831631849],["c1ccc(CNC(=O)",-10.197456142501242],["▁Cc1nnc(NC(=O)",-10.197571562537131],["/N=C/c2ccc",-10.19763183798366],["c(-n3ccnc3)",-10.19765114517617],["(SC",-10.19783501548509],["c2cccc(F)c2)C1",-10.197846875697678],["[C@@H]2C=C",-10.198265279180896],["c(-c3ccc(",-10.198699178900316],["c(C)c1Cl",-10.199146418357518],["P(=O)(O)O)cc1",-10.199546250767476],["CN2CCOCC2)",-10.19965511236192],["ccc4",-10.199735401071116],["N1CCSCC1",-10.199889431409511],["c(=O)n21",-10.200189727664572],["▁Cc1cc(C)nc(SC",-10.200378693880712],["(S)",-10.20044303962906],["▁Oc1cccc(-c2c",-10.20088889163053],["CCNCC1",-10.20111266584584],["23)CC1",-10.201383257728416],["c3ccccc32)n1",-10.201580857096102],["C(O)=C1",-10.201645455207974],["C1=C(O)C(=O)",-10.20202066856636],["[C@@H](C)CC",-10.20203191982005],["/N=C2/",-10.202092608385396],["▁CC(C)c1c",-10.20231912713519],["c2c(c1)",-10.202642180315523],["ccc2n1C",-10.20264693097652],["▁CCCCCO",-10.202921931165973],["c(=O)[nH]2)c1",-10.202982832516057],["▁CCOC(=O)Cc1csc(",-10.203012597008028],["OP(=O)(O)O)",-10.20336509139717],[")cn2C",-10.20337757118093],["▁Nc1ncc(",-10.203639697869816],["c2ccc(Br)cc21",-10.20389208424599],["C1Cc2ccccc2C1",-10.2040111820087],["[C@@H](CCC4=C",-10.204269397821992],["CC[C@]12C",-10.204617244777996],["3ccccc3[nH]2)cc1",-10.205030747290564],["CCCNC",-10.205303968167833],["c1c(-",-10.205350096828989],["ccc3[nH]2)cc1",-10.205491684903429],["CCCCN",-10.205783132158697],["c2cc(C(=O)O)ccc2",-10.20595821474226],["▁COc1ccc2nc(",-10.20625814881332],["ccc2ccccc12",-10.206438126102018],["▁CC[C@H](",-10.206494972535369],["▁N[C@@H](CC",-10.207134738731568],["Cc2cc",-10.2074316717956],["CC(C)(O)",-10.20757931781353],["▁Cn1cc(C",-10.207632007773205],["C(=O)C(C)(C)C)",-10.207997855794568],["c3ccc4c(c3)",-10.20800846932612],["▁CC1CCCC(C)N1",-10.20820280279546],["N1c2ccccc2S",-10.208306409541525],["N(C(=O)C",-10.208501432762793],["nn(C",-10.2088439512932],["c2cc3c(cc21)",-10.20893093651262],["▁CCOC(=O)CNC(=O)",-10.209696305326933],["c3cc(",-10.209971739217307],["▁Nc1nc(=O)n(",-10.210151536401463],["c3cnccc3",-10.210252503869508],["nc2C)cc1",-10.210602088358424],["▁O=C(O)c1ccc",-10.210615799625682],["c2ccc(C)cc2)CC1",-10.210849721798716],["c3)n",-10.210862070967856],["▁O=C(COc1cc",-10.210895864271771],["▁CCOc1n",-10.211023809826589],["▁Cc1cc(C)n(",-10.21117546620752],["C[C@H]",-10.211905935787282],["▁CC(=O)O[C@@H]1",-10.212017779885548],["c(-c4ccccc4)cc3)",-10.212053503613255],["▁NC(=S)",-10.212062418572394],["▁N=C(N)c1ccc(-",-10.212336679506668],["▁Cc1ccc(N2C(=O)",-10.212355720751637],["▁CCCc1cc",-10.212636228056931],["c(=O)n12",-10.212971168303744],["▁Cn1ncc(",-10.212976219039472],["OCCO3)",-10.213023166206192],["▁CC(C)N(C(=O)",-10.213072753282916],["▁O=C1CN(",-10.21320568079712],["n(C(C)C)",-10.21360741368274],["Cc3ccc(Cl)cc3)",-10.213681130709649],["c3ccccc3O",-10.21398242135261],["c1cn(Cc2ccccc2)",-10.213991812452452],["(Nc2ccccc2)",-10.21400014730818],["c1c(Cl)c",-10.214000314348947],["N(C)CC",-10.214486577367555],["c1cccn1C",-10.214622092821962],["[nH]c2=O)cc1",-10.214652789252252],["cc3Cl)",-10.215448569870071],["▁C=CCc1ccc(O",-10.215469668884117],["c2ccc3[nH]",-10.21547568078515],["cc(NC",-10.215652810019588],["c2ccc(-c3c",-10.215700719484202],["c1nc2ccccc2c(=O)",-10.21583679084248],["c3c(=O)[nH]",-10.215881673959444],["C2)cs1",-10.21609026560826],["C(=O)COC(=O)C",-10.216282560829336],["C(=O)N2CCCC2)",-10.216465018764277],["c2ccccc2F)c1",-10.216653931766643],["c2ccc(Cl)cc2)s1",-10.21687085481437],["n2c(=S)[nH]",-10.21723782891906],["c1cc2c(cn1)",-10.217425483797404],["N(c2ccc",-10.21793907178527],["[C@H]2O)",-10.21817307555228],["[C@](",-10.218381542547752],["▁CCC(=O)Nc1ccc(",-10.218416037840186],["▁Cl.O=C(N",-10.218678139497436],["c2O)",-10.21887785782095],["▁c1cc(",-10.219120604014062],["▁Cc1ccc(SC",-10.2192863926594],["▁Oc1",-10.219333421603327],["▁COc1cc2nc",-10.2195281860057],["▁CN1CCCN(",-10.21974402614294],["▁Cc1c(N",-10.219897269771476],["(NC(=O)N[C@H](C)",-10.22015262479377],["▁O=C1/C(=C\\",-10.220154322014045],["▁COc1ccc2c(c1)c(",-10.22019895828214],["c3cc(Cl)c(Cl)cc3",-10.220425104906344],["c2cccc(O)c21",-10.220781864381175],["c2ccc(-c3cccnc3)",-10.2210948529873],["▁c1ccc(CO",-10.22111713979493],["C[C@@H]2O",-10.22117718092906],["4)CC3)",-10.22122710243364],["c1cc(C(=O)O)ccc1",-10.221298215340855],["c2nc3ccccc3n2C",-10.221347702726774],["▁Oc1ccc2c(c1)",-10.221489648826612],["N(c4ccccc4)CC3)",-10.221529152560414],["[C@H]1C[C@@H](",-10.221613565296632],["[C@]2(O)",-10.221714222886565],["▁COc1ccc(C(O)",-10.221827305000978],["▁Cc1nn(C)",-10.22192710974453],["c2cccc(C(N)=O)c2",-10.222019057113885],["CCc2ccc",-10.222032090736446],["CC2)no1",-10.222358054927106],["c1cccc2nsnc12",-10.222383564702897],["c2cccc3cccc1c23",-10.222739176089105],["O[C@@H]1CO",-10.222897740079166],["[C@H]1CCCN1",-10.223101705259507],["▁Cc1nn(C)cc1",-10.223589150585644],["n(Cc2ccccc2)c1=O",-10.223663174789335],["▁Cn1c(=O)c2c(nc(",-10.223900331343506],["1CCc2ccccc2C1",-10.224498445277929],["▁CC1(C)CCC(C)(C)",-10.224715964867595],["▁O=C(O)CCCC",-10.224847995273436],["c1sc2ccccc2c1Cl",-10.225261592580466],["c3)c",-10.225353002332234],["c2c(OC)cc",-10.225356419344791],["c3ccccc3Br)",-10.225649202444092],["[nH]c2n(CCC)c1=",-10.22566173975346],["c1ccsc1)",-10.225928670975616],["▁COc1ccc(CN2CC",-10.226457902173632],["c2cscn2)",-10.226786652134097],["c3cc(C)c(C)cc3",-10.227212709846484],["CCCN1C(=O)",-10.227215024114471],["7",-10.227216324347363],["▁CCS(=O)(=O)N1CC",-10.227238657237695],["[C@",-10.227264268623724],["▁CCc1ccc(OC",-10.227410686425555],[")C(C)=O",-10.227624673321673],["c2nc3ccccc3nc12",-10.227637348541084],["C2=O)cn1",-10.22771741579628],["[C@H](O)[C@H]1CO",-10.227743785161216],["CCC(C)C",-10.22778065201344],["CC(=O)NO)",-10.228787711230185],["c2)on1",-10.22898932449112],["c3cc(F)ccc3F)",-10.229538496067324],["c2ccc(C)s2)",-10.229562626872928],["c(/C=N/",-10.229970282931385],["n(-c3ccc(F)cc3)",-10.229991718784166],["▁COc1ccc2c(C",-10.230246091382888],["▁O=C(N[C@@H]1C",-10.230404558811871],["Nc1ccc(Cl)cc1",-10.230488894147364],["C(=O)c2ccco2)cc1",-10.230573021568436],["▁Oc1ccccc1",-10.23060669314411],["[C@@H](c3ccccc3)",-10.230694446693818],["NCC(O)",-10.230734906055847],["CCC[C@@H]1",-10.230935434117884],["c1ccnc(N",-10.23106544458784],["C1(C)O",-10.231284956653344],["ncn2-",-10.231627687022804],["c3nc4ccccc4o3)",-10.231888360157551],["C#CC#C",-10.23193549083194],["=N\\",-10.23269696571932],["c(O)c1O",-10.233029563144322],["c(C(=O)/C=C/",-10.233054232312666],["[nH]c3ccccc23)C1",-10.233121792939064],["cc(N)",-10.233568350720398],["S(=O)(=O)N1",-10.23386360651485],["c2ccc(Cl)s2)",-10.23408414079432],["C2(C)",-10.234200563326135],["c1nc(N2CCOCC2)",-10.234241084204143],["▁Cc1cc(O",-10.234539351411067],["n2cc(-",-10.23479853338251],["▁O=C(COc1ccccc1",-10.23483207677333],["C(=O)CC(=O)",-10.235454165832234],["▁Cn1c2ccccc2",-10.235720892287729],["nc2sc",-10.23574830615215],["[C@@H](CO)O2)cc1",-10.236037166929222],["▁O=C(Cn1cn",-10.23631773800153],["C3(C",-10.236350662810729],["▁CCn1cc(C(=O)O",-10.237255053331626],["▁Cc1ccc2c",-10.237471176621666],["NC(=O)C(C)",-10.237515294342456],["C)cc1OC",-10.23768124259109],["CSC(=S)",-10.238067704764653],["c4c3)",-10.238492463241736],["C2CCCCC2)C1",-10.239551018249838],["c(S(N)(=O)=O)cc1",-10.239982847993147],["▁Cc1noc(C)c1C",-10.240111240084437],["C1CN2CCC1CC2",-10.240290123815305],["▁CCOc1ccc2c(c1)",-10.240410972230016],["▁COc1cc(-c2n",-10.24074197555674],["▁Sc1n",-10.241009846886335],["[C@@]2(C)O",-10.24108264965609],["c1cnccc1",-10.241163979377582],["c2nc(-c3ccc(Cl)c",-10.241174032191324],["Cc2ccncc2)",-10.24144793992376],["c3nc(C)c",-10.241502558696135],["▁C=C1C(=O)O[C@",-10.24164979555258],["nc(-c2ccncc2)n1",-10.24167482154311],["nc(OC",-10.241678476690604],["N2C1=O",-10.241688211599149],["▁CC(=O)Oc1ccccc1",-10.241823252110851],["C1CN(C(=O)",-10.241928473171711],["c2nc(-c3cccs3)",-10.242241653761546],["▁CC(CNC(=O)",-10.242559223537242],[")=N\\O",-10.242705026740822],["c1cc(=O)",-10.24278554373176],["/N=C(\\C)",-10.242990469326427],["▁Cc1cc(O)",-10.243129104049888],["c3ccccc3C2=O)c1",-10.24397491947544],[")CC[C@@H]1",-10.244023856871294],["▁Clc1ccc(-c2n",-10.244221316392863],["C2(CC",-10.244392525815272],["▁CCCCCCO",-10.2444780149722],["c2ccc(C(N)=O)cc2",-10.24461538235354],["c2cc(Br)ccc21",-10.244751383321134],["▁O=C(Nc1ccccc1F)",-10.24514108969164],["▁N#Cc1",-10.24515169919908],["c2)ccc1O",-10.24527160385681],["c2ccc(/C=C/",-10.245542733582738],["CC2(C",-10.245776339826442],["c1cnc2ccccc2n1",-10.245848862517992],["▁Cc1oc(",-10.246336850255936],["C(=O)CC(C)(C)C2",-10.246408463098028],["c2c([nH]",-10.2468786907302],["C2CCCN2",-10.246967962131222],["▁Cc1c(-",-10.247107061201026],["c1ccc2[nH]ncc2c1",-10.247219536472905],["/C2=C\\",-10.247979715542106],["C2=O)C1",-10.24807548277456],["nc2C)",-10.24809434690352],["▁O=C(Cc1ccccc1)",-10.248284352988316],["c2cc(OC)cc(OC)c2",-10.248471289485575],["c(Oc4ccccc4)cc3)",-10.248695141329646],["c1nc2c(",-10.24908570998446],["[C@@H]1CC[C@H]2",-10.249108255874065],["S(=O)(=O)c2cc",-10.249226651692346],["CCO2)",-10.249861669851182],[")C(=O)c1ccccc1",-10.249956973384634],["▁O=C(O)C(C",-10.25029267612242],["N1CCC2(CC1)OCCO2",-10.2503344313278],["SCc1ccccc1",-10.250355078238243],["Cc3ccc(F)cc3)",-10.25145251774945],["sn1",-10.251645685931807],["c2c(-",-10.25187616028709],["COC(C)=O)",-10.252247509975],["c1ccc(NC(=O)c2cc",-10.252251924862463],["▁COc1ccccc1-c1cc",-10.252260332346488],["S(=O)(=O)N1CCC(",-10.252762891124249],["[C@@H]1CN(C",-10.252825346568924],["c1cc(C)ccc1C",-10.25291421944718],["Cc2ccccc2",-10.253024796991912],["@H]3c4ccc(O)cc4C",-10.253422022097707],["▁Nc1nc(-",-10.253965872425876],["C[C@H](O)C",-10.253980847556246],["▁N#CC(",-10.254276309853818],["CCn1ccnc1",-10.254366756909526],["c1ccc(N(C)C)cc1)",-10.254449665616711],["c1cccc(Br)c1)",-10.25468189450926],["c(NC(=O)N",-10.254687593260368],["▁Cc1cc(NC(=O)N",-10.25475094176111],["N[C@H](CO)",-10.254925032487083],["▁CCC1C",-10.254983660021916],["CCNC(=O)C",-10.25506257183843],["c1cc(C(F)(F)F)c",-10.2550776463711],["ccc(",-10.255286088344372],["c2ccc(Br)cc2)c1",-10.25536852677234],["N1C(=O)CSC1",-10.255485446997952],["▁O=C(NCCO)",-10.255589790200172],["▁O=C1CS",-10.25567319290527],["C(F)(F)F)CC1",-10.256195689803883],["c2ccccc2N1C(=O)",-10.256206661435892],["▁CCOc1ccc",-10.256248345739664],["▁O=P(",-10.256314720447298],["▁N#Cc1ccc(O",-10.2565976651647],["(C(=O)NO)",-10.256634813660837],["c3ccccn3)CC2)",-10.256638466143274],["c2ccc(C(=N)N)cc2",-10.25670950648118],["▁COc1cc(C)c(",-10.256758259785368],["c1[nH]c",-10.256863042608238],["▁CC(C)(C)NCC(O)",-10.25754245150772],["c1ccc2[nH]",-10.257638812335015],["NC(=O)c2ccncc2)",-10.257715497030029],["cn3",-10.25784355590022],["c1ccc2[nH]cnc2c1",-10.257928015319164],["23)cc1",-10.25795517052815],["c2ccc(Cl)cc2)o1",-10.2580372260956],["▁CCOC(=O)c1c(C)n",-10.25831456685147],["c2ccn(C",-10.258773472849388],["CCc1ccc(O)c(O)c1",-10.259009877128292],["▁O=C1NC(=O)C(C",-10.25903781697574],["cc2Cl)cc1",-10.259240931540404],["CN2CCC1CC2",-10.25924743481235],["n2c1=O",-10.259641102790312],["C(Br)",-10.259746418303562],["n3c(",-10.26006095143985],["NC(=O)CN(C)C(=O)",-10.260091283060344],["▁O=N",-10.260097875524956],["3)CC1",-10.260154252260053],[")NCc1ccc(F)cc1",-10.260324024901188],["▁Sc1nnc(",-10.260514143038936],["Sc2cc",-10.260777749999033],["[C@H]1C[C@H]2",-10.261009286171197],["cc1.Cl",-10.26101646819868],["c2cnn(-c3ccccc3)",-10.261052759764636],["[C@H]2CC[C@@H]1C",-10.261056317687604],["c(C(=O)O)c2)",-10.261170788887105],["▁CC(C)CC(=O)N",-10.26118812008212],["(-c3ccccc3)oc2c1",-10.261191730926829],["ncn2)cc1",-10.261496194151],["CC(=O)N1CC",-10.2614970755078],["c3ccc(Cl)cc32)",-10.262220958765962],["▁O=C(Cn1cc",-10.262277537595644],["c1-",-10.26236175352348],["oc2cc(O)ccc12",-10.262958711929944],["N=C1N",-10.26295916940774],["C3=O)c1",-10.263058301322122],["▁N#Cc1ccc2c(c1)",-10.263253773218072],["▁Cc1nc(N)",-10.263325510328116],["c2ccc(C#N)cc2)n1",-10.263494284868894],["C2CCNCC2)cc1",-10.263697576949632],["c2ncccc2c1",-10.263899063782834],["c1nc(-c2cc",-10.26402027850123],["c3c(C)n",-10.26411589444684],["c1cc(O)ccc1",-10.264478472935195],["Cc1cccc(Cl)c1",-10.264609122381511],["-c2ccccc2",-10.264618937841757],["CC(C)(C)O",-10.26469393368888],["▁CC(C)CC(=O)",-10.264968540453552],["[N+](=O)[O-])cn1",-10.265032199293866],["c2c3c([nH]c2c1)",-10.265318560665357],["c1nnc2",-10.265323871854571],["/C=C1\\CC",-10.26542938449444],["▁COc1ccc(N(C)",-10.265481982027712],["NC(=O)/C(C#N)=C/",-10.26569308407604],["(-c3ccc(Cl)cc3)n",-10.26586645792031],["ccc1-c1cn[nH]c1",-10.265948005623589],["c1cc[nH]n1",-10.266170391753018],["ncc2-",-10.266204538032094],["/C=C\\C",-10.266287777511486],["C(c2ccccc2)(",-10.266345451438156],["cs2)",-10.266639988687585],["Cc2ccncc2)cc1",-10.266724107476822],["c2cncnc2)",-10.26675059528814],["O4",-10.266853615832144],["C(=O)N1Cc1ccccc1",-10.267285306283],["nc(O)c2",-10.267319262696343],["▁Nc1nc(O)c2ncn(",-10.26741842763983],["CC[C@]21C",-10.267692650389767],["c(C(F)(F)F)n",-10.267715992275471],["▁Cc1cc(Cl)",-10.267921571514105],["C1=C(C)",-10.26799040429958],[")Nc1cccc(Cl)c1",-10.268026737965036],["▁CS(=O)(=O)N1CC",-10.268060012131537],["CCCN1CCOCC1",-10.268345978124188],["n1cnc2ccccc2c1=O",-10.268557894072062],["C(=O)OC(C)C)",-10.268976511378224],["C#CC",-10.269533293035453],["ccc1N1CCOCC1",-10.269663674527624],["/N=C(\\NC#N)N",-10.269744814441932],["▁CCOC(=O)CSc1n",-10.269984513409836],["▁Nc1nc(Cl)",-10.270002395394714],["▁CC(=O)NC(C",-10.270005054700484],["c2ccc(OC)cc2OC)",-10.270090531873834],["C[C@@H](N)",-10.27017380266656],["[nH]c(=O)c3",-10.270194945148756],["OC(=O)C",-10.270242949221943],["c2sc3c(c12)CCCC3",-10.270344264463668],["▁N=C1",-10.270427412981515],["cc3C)",-10.27060239182245],["▁CC[C@@H]1",-10.27063613368274],["▁O=C(NCCc1ccccc1",-10.27079099229564],["c1sc2ccccc2c1",-10.27080665297952],["c2cccc(N",-10.271343442619424],["=[N+]([O-])",-10.27158711023772],["Cc2cccs2)cc1",-10.272359423034631],["c2occc12",-10.272593055448509],["▁COc1ccc(-c2nnc(",-10.272950763186016],["c(C=O)c",-10.272997348095563],["▁COc1ccc(OC)",-10.273302659453574],["/C(C)=C\\",-10.273378056252769],["S(=O)(=O)N1CCN(",-10.273642200789975],["c2)c",-10.2737688343541],["sc(=S)",-10.273880297241105],["3)c(F)c2)C(=O)O1",-10.27389947961587],["C1(C(=O)O)C",-10.274129292331978],["c2cnc(N",-10.27491624901932],["c2ccc(OCC",-10.274996989818703],["▁CCCCN1CC",-10.275424954015335],["▁Cc1ccc(-n2nc",-10.275512208905011],["[",-10.27552330805716],["[C@H]1O[C@H](CO)",-10.275758902430091],["c2)no1",-10.275827817264911],["▁CO/N=C(/",-10.275904752502356],["C(O)(Cn1cncn1)",-10.276175213322492],["c2ccc(C(=O)NC",-10.276502662733408],["P(=O)(",-10.276582924103996],["cc2)s1",-10.27673012530188],["▁c1ccc(OC",-10.276738992060023],["▁CCCN1CCN(",-10.2772188954234],["▁CCC(N",-10.277927494450475],["Nc1nc2c",-10.278187963600622],["▁O=C(N/N=C/c1ccc",-10.278377262694145],["c(-c3ccccc3)n",-10.278461059688794],["▁CCCC(CCC)",-10.278941035166678],["c2cc(Cl)ccc12",-10.279176558648176],["S(=O)(=O)c1ccc(-",-10.279251052187032],["▁COCCCN",-10.279255386341092],["ccc2s1",-10.279407861358775],["c1-c1ccncc1",-10.279533947133018],["/C=N\\NC(=O)",-10.279675746290366],["c4cccc(F)c4)",-10.279940472795612],["OCO4)",-10.279986859084682],["▁Cn1c2c(",-10.279991273255549],["c1cc2ccccc2s1",-10.280450196268845],["▁O=C1N=C(N",-10.280591341102353],[")C(C#N)=C(N)O2",-10.280609241626784],["[C@@]13C",-10.280734314668678],["cc(Cl)c1OC",-10.281334098584662],["c(-c4cccs4)",-10.281408156208402],["▁COc1ccc(Cl)cc1N",-10.282167364480058],["c3cc(F)cc(F)c3)",-10.282505614900725],["▁C/C(=N/N",-10.282662358407135],["c2c(-c3ccccc3)n",-10.282771032648157],["[C@](C)(CO)",-10.282980353872958],["c3n[nH]",-10.283258590654407],["c1nc[nH]n1",-10.283457904331016],["cc(C#N)",-10.283498132955318],[".O=C(O)",-10.283667199723771],[".C",-10.28394082159013],["▁NC1=NC(",-10.284171633625856],["C(=C)",-10.284220080499422],["c3[nH]c",-10.28430483456395],["C(=O)C=C(N",-10.284374145996924],["▁O=C([O-])C",-10.284555837998386],["Nc1ccc(F)cc1",-10.284627681695005],["▁c1ccc(-c2cc",-10.285060474578987],["CCCN2",-10.28555173911224],["▁COC(=O)CNC(=O)",-10.28574189644732],["▁NC(=S)N",-10.285808359610227],["C(=O)N/N=C\\",-10.285887848818886],["CCC2=CCCCC2)",-10.285914795392165],["n1nnc2ccccc21",-10.2859953764949],["c(N3CCCCC3)",-10.286221372133063],["C(OC(C)=O)",-10.286238160750738],["CC[C@H]3",-10.28640257825572],["C(=O)N[C@H](C)",-10.28716159889435],["nc(N(C)C)n1",-10.2872595372523],["c2ccc(F)",-10.287271906121823],["c3ccccc3)cc21",-10.28750523789468],["▁CC(N)",-10.287573548998274],["C2=S)cc1",-10.287681134294411],["▁Cc1cnn(",-10.288057802304635],["▁COc1ccc(-c2o",-10.28809582601787],["▁Cc1cccc(N2CCN(",-10.28820152643161],["▁CCn1c2ccccc2c2c",-10.28845256154152],[".[O-][Cl+",-10.28851556740726],["C[C@H](N)C",-10.288750884610128],["▁CC(C)(C)c1cc",-10.288823279582704],["▁OCCC",-10.28939054887568],["c2ccccc2C#N)",-10.289474839889255],[")Nc1cccnc1",-10.28951602684296],["N1CCC2(CC1)CN(",-10.289656558537432],["c(=O)[nH]c2c1",-10.28967153188256],["c3cnc",-10.289787669257226],["4)cc3)",-10.289877544261442],["n2ccc(N)nc2=O)",-10.29005761659804],["c(S(=O)(=O)n2cc",-10.290149275779337],["NC(C)C",-10.29015625247784],["[C@H]2CC[C@@H](",-10.290371515941205],["▁CN1CCCC1",-10.290722015220284],["Cn1nc(-c2ccccc2)",-10.29072698804098],["[C@@H]1[C@H](O)",-10.29096328052358],["n(C)c3",-10.290966534585692],["C4CCCC4)",-10.29115548568259],["[C@H]2OC(=O)",-10.291265711458696],["CCCC3)",-10.291586796122017],["c(C)nn1C",-10.29163406815086],["▁CCCC1",-10.29164577418468],["▁Clc1ccc(N",-10.291713377944612],[")CO",-10.29203204559473],[")c(=O)n2C",-10.29214847093402],["▁Nc1nc(-c2ccc",-10.292385410927771],["C(c2cccnc2)",-10.292482379105587],["c3ccc(OC",-10.292553624585937],["CCCN(C)C)",-10.29279110142998],["▁NC(=O)c1ccc(N",-10.29288571078504],["[C@@H](C)N",-10.29302014175287],["▁CCc1cc2c(",-10.293259850086846],["c(-c4ccc(Cl)cc4)",-10.29349043790674],["▁COc1ccc(Nc2nc",-10.29354844622894],["cc1-c1ccccc1",-10.293751005872783],["3CCOCC3)",-10.294603918929148],["SC2",-10.294707839147629],["c1cc(-c2c",-10.294735523892609],["c2cccc(F)c2)n1",-10.294850410109088],["OCC2",-10.294865127662607],["N=C2C",-10.295065796247808],["▁C[C@@H](C",-10.29514638435527],["O[C@@H]2O[C@H](C",-10.29575377353614],["c3c(C)c",-10.295915169102075],["[C@H](N)C(=O)N",-10.296243677794696],["▁CCCN(CC1CC1)",-10.296405804276056],["C(=O)C(C",-10.296605745810773],["c1c(C)[nH]c(",-10.296961549655505],["C(=O)Nc1sc2c(c1",-10.298085867966227],["@H](O)[C@H]2O)",-10.298326394036213],["3c(c2)OCCO3)cc1",-10.298474285972151],["C(=O)Nc1ccc",-10.29897530494647],["▁COc1cc(/C=C\\",-10.299006359128608],["c(Nc3cc",-10.2993026442755],["▁CCNC(=S)N",-10.299588774933255],["(CF)",-10.299653535246293],["c3c(c",-10.299952370383306],["▁CC1CCCCC1NC(=O)",-10.300375846263],["▁Cl.Cl",-10.301036508479536],["▁CCCN(CCC)C(=O)",-10.301169633924696],["c1c(C)n",-10.301547912102142],["▁COC(=O)C1=C(C)",-10.30203005575848],["▁COc1cc(C2",-10.302142618004968],["c3ccccn3)CC2)cc1",-10.302528598746695],["▁CN(C)CC1C",-10.302725424590523],["n1c2ccccc2",-10.302932108729614],["OCc3ccccc3)",-10.303005141216785],["C(CC(C)C)",-10.303011262183652],["Cc1nc(-",-10.303371197570472],["c2cc(-c3c",-10.303532000996832],["c(-c3ccccc3)c2)",-10.3037629175025],["c3cnn(C)c3)",-10.30395891068563],["c2ccc3c(c2)CC",-10.304211587938426],["[C@H](C)O)",-10.304309400540417],["c1cncc(Br)c1",-10.304488100866582],["CCc2ccccc2)CC1",-10.30455760145406],["c(=O)c",-10.304876880861858],["▁N#Cc1ccc(C",-10.304968755442069],["▁OCCN1CCN(",-10.304979256914844],["ccc34)",-10.305361505178338],["n3n2)c1",-10.30560007137759],["c(Cl)c(Cl)",-10.30580832362686],["C2CCCN2C(=O)",-10.305898249534724],["c2ccco2)c1",-10.305921871996368],["▁COC(=O)C1=C",-10.306110904634508],["c2ccc(C(C)=O)cc2",-10.306422939638765],["c(S(C)(=O)=O)",-10.306906639364067],["CN1C(=O)NC2(CC",-10.307614711733365],["c1cn([C@@H]2",-10.307759901257551],["CCCCCO",-10.308041170952418],["CCC12",-10.308124664661468],["co",-10.30821337328228],["n2ccccc12",-10.308338910480238],["CCN2CCCCC2)",-10.308703310783228],["C2(CCCC2)",-10.309042642210663],["▁COc1c(O)c",-10.309045183630722],["Cn1c2c(",-10.309142216693616],["-c1ccc(O)cc1",-10.309386200325344],["▁N=C(N)N/N=C/",-10.309495402606998],["P(=O)(O)O)C(=O)O",-10.309656164483142],["c3c(c12)",-10.309767435729944],["NS(C)(=O)=O)cc1",-10.310083623927229],["CBr)",-10.31024762972564],["c2nc(Cl)",-10.310573082055743],["COc2cc",-10.310803657749869],["▁CC(N)C",-10.311124198872252],["CCN1C(=O)C",-10.311216721423827],["▁O[C@H]1C",-10.311282881446084],["▁O=C(O)c1cn",-10.311590936509592],["n(-c3ccc",-10.311677902762494],["n2)ccn1",-10.311720602379154],["▁COc1ccc2[nH]",-10.311873036577278],["c2nnnn2-",-10.312347004054043],["C(=O)O)n1",-10.31283110000619],["c1ccc(-c2",-10.312895990769338],["▁C[N+]1(C",-10.31372078316193],["[C@]1(C)O",-10.313885358757954],["c2cccc(S(=O)(=O)",-10.314509405875434],["(NS(C)(=O)=O)",-10.314584319454603],["P(=O)([O-])O",-10.314603613212192],["cc1N",-10.314700788588706],["[C@@]2(C)C",-10.315070603587584],["▁CCC(C",-10.315127534167932],["C1=CCCCC1",-10.315196920616334],["▁O=C(O)CS",-10.315206313567888],["C(F)(F)F)C1",-10.315821030118167],["▁Cc1nc(O)",-10.316151478363736],["[nH]c(=S)",-10.31617868860345],["/N=C(\\N)N",-10.316963583969208],["▁c1ccc2",-10.317110853289204],["▁CC(=O)Nc1ccc(O",-10.317122210276771],["▁Cc1cccc(NC(=O)C",-10.317784525029603],["▁CCN(CC",-10.318265217950428],["Nc1ncn",-10.318337012110932],["c1cc2ccccc2",-10.318346889217288],["▁Fc1ccc2c(c1)",-10.318552085380045],["C[n+]2ccc",-10.318764203333547],["[n+]1C",-10.318891169821576],["ncc21",-10.318958142431788],["▁C=CCOC(=O)",-10.319093470527095],["CCN(C)",-10.319629171445357],["[C@]2(CC",-10.3198259582404],["c3cc(OC)c",-10.320041196732374],["CC[C@@H]1[C@@H]2",-10.32008329189458],["COc2ccccc2",-10.320286575164795],["3CCN(C)CC3)",-10.320583726096276],["c(C(=O)O)c2)cc1",-10.320876291734631],["N(Cc1cccnc1)",-10.321454750291265],["[C@H](N)C(=O)N1C",-10.321486517754815],["c3occc3",-10.321657120683472],["OCCCc1c[nH]cn1",-10.321733329639118],["COCCO",-10.321878141659864],["CC2)c(C)c1",-10.321973210794894],["CC(N)C(=O)O)",-10.322120684742732],["▁COc1ccc2c(=O)",-10.322124129112204],["▁CCN1CCN(C",-10.322261259824735],["▁CCCn1c",-10.322472457191932],["C(=O)OC2",-10.322546611925272],["C(=O)/C=C/c2cc",-10.32254950231316],["▁CC(=O)Oc1cc",-10.322871714894896],["ncn2)c1",-10.323093006530058],["NC2=O)cc1",-10.323292384610976],["CCO2)c1",-10.323390757592172],["Nc1nc(-",-10.323444536652048],["c4cn",-10.323574239373851],["c1cnccn1)",-10.323778507349877],["▁Cc1ccc2[nH]c(",-10.323832964902826],["c2cccc(C)c2C)",-10.32389111752394],["sc1C(=O)N",-10.323978353242168],["▁O=C(Nc1cccc(-",-10.324002710064086],["c2ccccc2)n",-10.324269752913809],["C(=S)S",-10.324270939187835],["C(O)CN",-10.324285093227886],["▁Cc1cccc(CN",-10.324285499142254],["▁O=S(=O)(O)",-10.32433288478738],["3CCCc4ccccc43)",-10.324356890184903],["▁COc1ccc(C(C",-10.324633386797258],["CCCn2ccnc2)",-10.324776817139092],["c1ccc(-n2c",-10.325521119391505],["c2ccc(Cl)cc2c1",-10.325607750759676],["(F)c(F)",-10.325739084059595],["C(=S)NC(=O)",-10.326198777170722],["c1ccc2o",-10.326527651470514],["c(C(=O)NCC",-10.326708468739426],["▁O=C(NCc1cccs1)",-10.326863405827956],["ccc1-",-10.327166868764074],["c2ccc(O)cc2)CC1",-10.32718889777209],["NC(=O)COC(=O)C",-10.327233377710204],["▁OB(O)",-10.32732012071192],["▁CC(C)CN",-10.32740497916678],["c2sc3ccccc3c2",-10.327498144482336],["CC[C@]3(C)",-10.327498978571873],["CC2)cs1",-10.3277206068187],["nnc1-c1ccco1",-10.327764247038726],["c(C3CC3)",-10.327788696976349],["▁c1cncc(",-10.328261342619072],["▁C[n+]1",-10.328375179025777],["C(=O)O)CC1",-10.32844253271766],["▁O=c1c2ccccc2nc(",-10.328505543388562],["▁CC1CCCCN1",-10.32882622690552],["c1oc2ccccc2c1",-10.328897825116986],["C1(CCCCC1)",-10.328990722996789],["c(OC)c3",-10.329071157409292],["▁Cn1cn",-10.32907218013337],["c(F)cc2",-10.329249609922762],["cc(C)n1",-10.32932905211147],["C(=O)c3cccs3)",-10.32939523102566],["▁I",-10.329409294160488],["c2cnccn2)cc1",-10.32950024179724],["CC1(O)",-10.32967183884392],["c2cc(N)ccc2",-10.329962771148177],["c3cccc4c3",-10.330210842680298],["c1cccc2cnccc12",-10.330215964249188],["Oc1ccc(Cl)cc1",-10.330366795378442],["C(=O)Nc1ccc(O",-10.330383305017696],["[C@H](C2)",-10.331221445316242],["ncnc32)cc1",-10.33124768132018],["c1cc(-c2cc",-10.331381549522352],["n(-c3ccc(Cl)cc3)",-10.331444331167251],["▁COC(=O)[C@@H]1",-10.331499820202673],["(Cl)c(Cl)c2)cc1",-10.331669964567242],["c(C#Cc2ccc(CC(C)",-10.331870004669131],["c(-c3n",-10.33189075512201],["CCN3CCCCC3)",-10.33210358650599],["ccc32)c1",-10.332587840735926],["n2c(C)n",-10.332883763517012],["ccc1c23",-10.332927664888452],["nn3cnc4[nH]ccc4c",-10.332976841004108],["c[nH]",-10.333218995756674],["c2sc(",-10.333235858091417],["c(C(F)(F)F)cc3)",-10.33325400482854],["[C@@H]1CN(C(=O)",-10.333267801874706],["▁O=C1Nc2cc",-10.333282727287774],["c2ccc3",-10.333331759948754],["▁CC(C)n1c",-10.333367294806903],["▁CCCN1CCC(",-10.333703926091438],["▁C(=N/",-10.333770868797954],["CCc1c",-10.33413593316194],["▁CCC(CC)N",-10.33421092016402],["C1CCC1)",-10.334360484225552],["c(Cl)cc12",-10.334510784609236],["=S",-10.335455269673677],["▁NC(=O)c1ccccc1N",-10.335706301130012],["c1nnc(NC(=O)",-10.335823771591272],["C(=O)N2CCC",-10.336088755522225],["cc(C(F)(F)F)n1",-10.33610409404486],["c2ccc3ncccc3c2)",-10.3363246468164],["C(=O)c2cccs2)",-10.336327757985606],["P(=O)(O)O)c1",-10.33646185846139],["▁C[C@H](O)",-10.336915368285652],["c(O)c2ncccc12",-10.336920362866351],["O)CC1",-10.337211698144916],["c2cc1O",-10.33726221723833],["c3cc(Cl)cc(Cl)c3",-10.337280931882338],["cc2F)cn1",-10.33735239529566],["/C(=C/c1ccccc1)",-10.337460008513167],["▁COc1ccc(C2CC(",-10.337510871017544],["[C@@]3(C)CC",-10.337566407468872],["c3cc(C#N)ccc3",-10.33761048706475],["C(NC",-10.337638484496068],["c1cccc(Cl)c1)N",-10.337916422073514],["c2cn[nH]c2",-10.3382137814802],["=NN2",-10.338269890852253],["cc1)C(=O)O",-10.338364425391063],["c2cncc(",-10.338504547394944],["[C@@H](CO)O2)",-10.33887037389132],["CCc1ccc(O)cc1",-10.338902044458267],[")n1cncn1",-10.33900040118013],["Cc2ccco2)",-10.339027797906397],["CCNc1cc",-10.339135655284014],["▁Cc1cc(NC(=O)C",-10.33919984757981],[")C(=O)OC",-10.3392106066169],["c(C3CCNCC3)",-10.33929194905943],["c(F)cc2c1=O",-10.339866818399456],["C(=O)N3CCCCC3)",-10.339980764438076],["cc2)C1=O",-10.340186712211947],["C#CCO",-10.340236802645345],["▁O=C(COc1ccc(",-10.340343716396177],["[C@@H]2CC1",-10.340543443742684],["c1ccccc1)C(=O)",-10.340571882692238],["c3ccccc3[nH]2)c1",-10.340582307640478],["▁CC[C@H]1",-10.340584548697532],["(=N)",-10.340649008703837],["/C=C/c2ccc",-10.340815199949498],["cc34)",-10.34098669540989],["▁CN(C)CCCO",-10.341282123964003],["c(C(=O)c3ccccc3)",-10.34136296569902],["▁O=C(Nc1c",-10.341620193504854],["c(F)c(",-10.341958985096314],["[C@@H]2O1",-10.342005954662731],["O)ccc1O",-10.342084029461493],["c2csc3ccccc23)",-10.34209786259773],["c2cnc3ccccc3n2)",-10.342426669553763],["▁C/C(=N/NC(=O)",-10.34290962947342],["C[C@@H]1N",-10.3431844412673],["C=CC(=O)",-10.343190927338838],["NCC(O)COc1ccccc1",-10.343347302363568],["▁N#Cc1cn",-10.34347744011092],["▁C=CCNC(=S)N",-10.343563050206711],["c1cnn(",-10.343587991409535],["▁CCCc1cc(",-10.34368516107956],["N2CCOCC2)CC1",-10.343700672325287],["c(=O)n3",-10.343709818030854],["Cn1c(=O)oc2cc",-10.34382790073386],["c(CN3CC",-10.343992496476128],["nc2c1cnn2C",-10.344091482811193],["C2CCN(S(=O)(=O)",-10.3443219991975],["CCCCO)",-10.344885756068932],["CC1O",-10.345092253995698],["OC2(C)C",-10.3451383997387],["CC[C@@]3(C)",-10.345639670871448],["C=C(C)C)",-10.345965733446413],["N2CCCC2=O)cc1",-10.346094517421596],["C3CCOC3)",-10.34621464600949],["c5ccccc5)",-10.346561215467704],["▁Nc1ncn",-10.346606393933548],["C(=O)NCc1ccc(",-10.346688454566918],["cc2)S1",-10.346819752987503],["▁C=C1CC[C@@H]2",-10.346914855663998],["CCc1c[nH]cn1",-10.347138328556683],["c2)cc1OC",-10.347235288897789],["/C=C(\\C#N)C(=O)N",-10.347278632744942],["S(=O)(=O)NC(=O)N",-10.347594599143637],["[C@@]12O",-10.347683949874089],["c1sc",-10.347735918830969],["c1csc(C",-10.348025397209453],["c3ccc(Cl)cc23)",-10.348206744443113],["c1nc(-c2ccc(Cl)",-10.348424492362414],["▁Cc1cc(C)c2c(c1)",-10.348588074321883],["c2ccccc2)c(=O)",-10.348832508645051],["▁COc1cccc(C2",-10.34937399500328],["(O)[C@H]2O)cc1",-10.349501472305503],["C(=O)NC1=O",-10.349571821449572],["▁FC(F)(F)c1ccc(",-10.349696311664989],["c2nc[nH]c2n1",-10.349779486052013],["NC1=S",-10.349785860365415],["c(OC(F)(F)F)c",-10.34985446054935],["N(CCO)C",-10.349867642258411],["C/C=C\\C",-10.350014109867477],["c2N1",-10.350062924146634],["▁CC(=O)Nc1ccc(N",-10.35007108880631],["▁C[n+]1c2ccccc2c",-10.350427333122084],["▁COc1ccc(/C=C2\\C",-10.350581310626216],["c1ccc2nc(NC(=O)",-10.350838448845176],["c2ccc(Br)o2)",-10.350982708721965],["=S)",-10.351265256993688],["NCc1cccnc1",-10.351623659751516],["▁COc1ccc(OC)c(-",-10.351651498270662],["[C@H](CO)NC(=O)",-10.351654601789235],["▁O=C(CCCCC",-10.35180664731106],["c1ccccc1Cl)N",-10.351925079370847],["▁O=C(O)[C@H]1C",-10.35198321875757],["▁Fc1cccc(F)c1",-10.352310752196551],["▁Cc1ccc(/C=N/N",-10.352659032283135],["[s+]",-10.352709208696762],["▁N/C(=N\\",-10.352717564909696],["▁O=C(O)CCC(=O)N",-10.353059659518998],[")on1",-10.353172391567188],["▁Cn1cc(-c2c",-10.353296033108364],["O)C1",-10.3535524219255],["▁O=C1C(",-10.353559503682964],["c(C)c(",-10.353592293234486],["▁CCc1noc(C)c1",-10.35373586128203],["C2CCNCC2)c1",-10.353863431273044],["cc1-c1cnco1",-10.354188748310651],["c2ccc(C)cc2C)",-10.35427302215022],[")c(Cl)c1",-10.354279024812149],["c2c3c(c",-10.354411538296798],[")CC3",-10.354493815825546],["c1cnc2c(c1)",-10.3545062251641],["▁CN1CC=C(",-10.354533869474706],["▁CC(C)C1",-10.354605189596578],["c1cccc2c",-10.354610080892352],["C(Cl)(Cl)Cl",-10.354811709969889],["CN1C(=O)c2ccccc2",-10.354998398362095],["n[nH]2)cc1",-10.355274962619408],["▁COC(=O)c1sc(",-10.355583489169195],["N=C(N)N)",-10.355765140868252],["c1nnn[nH]1",-10.355781851920272],["C5)",-10.35587069387455],["Sc2ccccc2",-10.355998134434865],["c3ccc(C)o3)",-10.35624190552728],["N3C)cc1",-10.356403267330132],["C)n",-10.356431522071029],["▁CN1c2ccccc2",-10.356558177957634],["▁Cn1c(SCC(=O)N",-10.356675191798498],["▁N=C(N)c1cc",-10.356755795564712],["▁O=c1c(-",-10.356788141081154],["c(-c3ccccc3)nc12",-10.356908668982012],["CNC4=O)",-10.356956688805523],["▁C[N+](C)(C)",-10.357218402232853],["C(C)O)",-10.357289430156596],["▁O/N=C/",-10.357394596821315],["(C)=CCC/C(C)=C/C",-10.357465466511798],["▁Cc1ccoc1C(=O)N",-10.357583605441215],["c1ccc(CO)cc1",-10.357586873692856],["Nc1ncnc2c1ncn2",-10.358108782330271],["c3[nH]ncc3",-10.35844633478607],["▁CCCCCCOc1ccc(",-10.358549204570568],["c2nncn2",-10.358860855308258],["N2CCSCC2)",-10.358976441411354],["[C@@]21C",-10.359187739826904],["▁Fc1ccc(N",-10.35961631290717],["c1C#Cc1ccc(N)nc1",-10.359688242143662],["▁C=C1CC",-10.359755225211805],["c1ccc(Br)cn1",-10.359955539187268],["(CCc2ccccc2)",-10.359973973468776],["C[C@H]1N",-10.3600069168909],["▁O=C(CSc1cc",-10.360153252589797],["CNCC2",-10.360171046071468],["c3cc(C(F)(F)F)c",-10.360227072291938],["▁CCCN(C",-10.360256780437323],["▁O=CN",-10.36047849265024],["cc23)n1",-10.360495963328496],["cc[n+]1C",-10.361150952756786],["Cc2cccnc2)cc1",-10.361195258300755],["CCNCC(O)CO",-10.361500861463629],["▁COC(=O)[C@H](",-10.361690248731184],["CC2(C)C",-10.3617128207997],["CCc2ccccc2)c1",-10.362026055609386],["c1no[n+]([O-])c1",-10.362142600420173],["▁COc1ccc2oc(",-10.362605248710544],["C[C@H]1CN(c2ccc(",-10.362702916028429],["▁CCc1ccc(C(=O)N",-10.36283574961227],["c(=S)[nH]",-10.363131955333046],["▁O=C(c1ccc(F)cc1",-10.363148719194456],["cc2)C(=O)O1",-10.363463673535088],["1CCc2ccccc21",-10.363593953225804],["▁COc1ccc(C(=O)C",-10.363779906531356],["c4ccccc4[nH]3)",-10.363989178769383],["Cn1nc(",-10.364119637482926],["cc1OC1CCCC1",-10.3642669687743],["c2ncc(C(=O)O)",-10.364379975370165],["C(=O)NCc1cccnc1",-10.36443056232655],["c2nnnn2",-10.364534679694556],["/C(O)=C/C(=O)",-10.36469863418844],["[C@H]1C(=O)N",-10.36514551893041],["(C(F)F)",-10.36515862319796],["C1=NN(c2ccccc2)",-10.36517233385198],["▁Clc1cccc(Cl)c1",-10.365393895474352],["▁COc1ccc(N2CCN(C",-10.365502893872684],["▁CC(CC",-10.36575512294612],["C(=O)OC(C)C(=O)N",-10.365944382518393],["▁CC(C)(C)O",-10.366070387276563],["cc(S(=O)(=O)N",-10.366317691095707],["c2)C1=O",-10.36637559068924],["▁C=C(C)[C@@H]1C",-10.36641290956657],["▁Cc1cnc(NC(=O)",-10.366439785350956],["CCN4CCOCC4)",-10.36645157072615],["C(CO)=C",-10.36675625699088],["NS(=O)(=O)c1cc",-10.367075855556354],["CN2CCOCC2)cc1",-10.367223491505005],["c1nc(C)",-10.367333280427369],["C(=O)c1ccccc1-2",-10.367339455771036],["▁O=C1NC(=S)N",-10.367408860966968],["▁CCOC(=O)c1s",-10.36749620128065],["-c2n",-10.36784937518777],["▁S",-10.36785170850192],["ncc2c1",-10.367892913902343],["▁COc1ccc2nc(C)c",-10.367898044811234],["▁O=c1[nH]c2c",-10.367939874226748],["cc2Cl)CC1",-10.367996176652255],["CN3CCCC3)",-10.368170684827549],["C(=O)NN",-10.368270652891454],["/C=C/C(=O)O",-10.368391120740943],["c2nc3ccccc3n2C)",-10.368428746349116],["[C@@H]1C[C@H](O)",-10.368465463796143],["-c1cccc(Cl)c1",-10.368492855839676],["▁Cc1c(Cl)cccc1N",-10.368789030624034],["N(CC(=O)O)",-10.368959920676923],["▁Nc1c(C(=O)N",-10.369334091062132],["c3ccc(O)c(OC)c3)",-10.369369533552184],["c(C#N)c1-",-10.369397769382068],["C4CCOCC4)",-10.369504389726789],["c2ccccc2C1=O)",-10.369520481311197],["▁O=C(O)c1ccccc1N",-10.369559042022953],["N1CCC(C",-10.369717664597369],["n2c(C",-10.370030446329965],["▁CCCCC[C@H](O)",-10.370123911938313],["OCC(O)CNC(C)(C)C",-10.37019248097982],["c3C)",-10.37019272867257],["▁O=C(NCCC",-10.370296949293644],["[C@@H]3O[C@H](C",-10.370377366877593],["c2sc3c(c2",-10.370730400688212],["[C@@H]3CCC",-10.370896815199371],["c3nc(N)n",-10.371078556541343],["▁COc1ccc(-n2",-10.371573441729442],["c1ccnc(",-10.371922515074903],["C(O)C2",-10.371973905330972],["CC3)c2c1",-10.372703584932149],["CN1CCC(C",-10.37275033175818],[")C(=O)N[C@@H](C",-10.372763639705994],["cc(-c3ccccc3)",-10.372972484684585],["c2cc3c(cc21)OCO3",-10.373063617040922],["cccc13)CCCC2",-10.373143515302411],[")N1CCC",-10.37318802247503],["c1ccccc1Br)",-10.373265911866795],["▁CC(CCc1ccccc1)N",-10.373306943780396],["▁COc1ccc(-c2nc(C",-10.373375869252316],["C(=O)CN1C(=O)",-10.373403601969036],["c2)nn1",-10.373474755663649],["C(C)S",-10.373603098886264],["cc2)nn1",-10.374127355068694],["SC2)cc1",-10.374177025162089],["c1ccc2nc(",-10.374320839053926],["CN1C(=O)/C(=C/",-10.374538333664376],["c45)",-10.37482482933893],["3c(c2)OCO3)cc1",-10.374847425709554],["B(O)O)",-10.374874078350658],["cc2n1C",-10.375561161370715],["c1cc(F)ccc1F)",-10.375692794107518],["[nH]c2n(C)c1=O",-10.375792620098222],["▁CCc1ccc(N",-10.375796817471434],["c1nc2ccc(Cl)cc2",-10.375806550493513],["▁CC[C@H]1C",-10.375837774623898],["c2c(O)c",-10.375888047134932],["▁NC1CC",-10.375983922791008],["c1)",-10.376109915508607],["n1cncn1",-10.376244706174134],["OCP(=O)(O)O)",-10.376805000955816],["c4ccccc4c3",-10.37683316661984],["▁O=C(Nc1ccncc1)",-10.376865784396696],["C1CCCN1C",-10.376884397582735],["c2ccc(Br)s2)",-10.376951292922554],["▁O=C1c2ccccc2-",-10.377115034308272],["nc2)c1",-10.37724462952993],["[C@H]2[C@H](O)",-10.377452242508976],["c2cc(C(=O)O)",-10.37756242804574],["sc2c1CCC2",-10.377566012476066],["H",-10.378099074091184],["▁CNC(=O)N",-10.378210010324992],["oc2=O)cc1",-10.37824934219246],["C1(c2ccc(F)cc2)",-10.378997544549849],["OCCCC",-10.379028178764637],["c(C(F)(F)F)c2)n1",-10.3790340927667],["[nH]c2cc(NC(=O)N",-10.379088008347644],["c1csc2ccccc12",-10.379286050553205],["s2)o1",-10.37939561897888],["(CN(C)C)",-10.379417956019704],["▁O=C1NC(=O)c2c1",-10.379443753577217],["CN1C(=O)S/C(=C\\",-10.379567181912876],["▁CC1CCC(NC(=O)",-10.3796245841359],["c1on",-10.379787297182425],["▁N[C@H](C(=O)O)",-10.379863104555698],["CCC(=O)O)cc1",-10.380031808321704],["C(=NO)",-10.38005282739294],["C3CCN(C",-10.38040337116096],["▁COc1cc(C(=O)NC",-10.380691540784683],["nc3s",-10.380707315302534],["▁O=C(c1ccc(-",-10.380868030020554],["(C(F)(F)F)cc2)n1",-10.380949410579955],["C2CCCC2)CC1",-10.381087494532396],["n(C)c2",-10.381154192961194],["cc(-c2ccccc2)n1",-10.381202885426418],["c2ccc(NC(=O)N",-10.381332494179992],["-c2ccc(Cl)cc2)o1",-10.381376460392849],["CC2)s1",-10.381590568395328],["c3cc(C(=O)O)ccc3",-10.381885492618723],["c2ccccc2)no1",-10.381956527006494],["c3c1",-10.382048093899368],["c(N3CC",-10.382048833902868],["3CCN(",-10.382151002391272],["▁Cn1c(=O)n(C",-10.382223428377571],["CC[C@@H]2C1",-10.382323556074027],["[C@@H]1C(=O)O",-10.382380037315569],["▁CC(C)NC",-10.382504438039916],["c1ccccc1C2=O",-10.382601260278744],["/C=C/c1ccc(O)cc1",-10.382952110777769],["N3CCC",-10.383387390195146],["C(=O)NC2CC2)",-10.383513290497756],["OC(C)(C)C2",-10.38355777571642],["▁Cc1cc(C)cc(OC",-10.3836366097014],["c2=O",-10.38387507699856],["N2CCCCC2)CC1",-10.383916494308052],["Cn1cnc2c",-10.384051349194744],["ccc23)c1",-10.384230898652811],["▁Cc1cccc(O",-10.384238097490586],["▁O=C1CCCN1C",-10.385081125255311],["c2cccc(C)c2)cc1",-10.385210593663068],["COP(=O)(O)O)",-10.385443997494196],["[C@H](CC(C)C)",-10.38558130059712],["c2c(-c3cc",-10.385641451619406],["NC(=O)c1ccncc1",-10.385827894284477],["cccc1",-10.385838628161732],["c2ncc(C",-10.385891550080917],["▁Cn1c(=O)[nH]",-10.385949136928115],["CO2)C1",-10.386042927285112],["N(C)CC2",-10.38639891550586],["C1=C(O)",-10.386531062302147],["▁Cc1ccccc1-c1n",-10.386580274849155],["(O)C(F)(F)F",-10.386763226874857],[")CCO2",-10.387060070751607],["▁O=C(NCc1ccc(",-10.387068897784946],["▁CC1O",-10.387462156216792],["CCC#N)",-10.38782750063372],["(-c3ccc(Cl)cc3)c",-10.388030803253486],["oc(=O)c1",-10.388360081717089],["cnn12",-10.388395594195046],["CO[C@H]12",-10.388660735219556],["[C@@H](CC",-10.388765562347407],["3CCC(C)CC3)",-10.388829814249783],[")NCc1cccs1",-10.38887515445534],["n(COCCO)",-10.388887123298495],["CO)c2n1",-10.388899912643506],["[C@@H]2O)",-10.388964416648305],["S/C(=N\\",-10.389008617925722],["▁COc1cccc(/C=N/",-10.38903470225126],["[C@@]1(O)C",-10.389074370135104],["OC3",-10.389144753668734],["c3cc4ccccc4o3)",-10.389379580933436],["c2cc(C#N)ccc2",-10.389524265657853],["c3ccccc3)C2)cc1",-10.390108039767476],["n(C)c2c1",-10.39021590571405],["c(NCC",-10.39029666268918],["[nH]n2)c1",-10.390330357286215],["▁CN(C)c1ccc(-c2c",-10.390957450588008],["CCCOc1cc",-10.391123485498442],["▁O=C(Cc1ccc(",-10.391331891515582],["(CC=C(C)C)",-10.39154306745447],["cc2c1OCO2",-10.391828503158273],["nc(NC(=O)",-10.391984879993764],["c1c(Cl)cccc1Cl)",-10.392103462808649],["▁Cc1cc2nc(",-10.392155182949672],["c2cc(C(=O)",-10.392202479769855],["▁O=C(NC1CCN(C",-10.392385098623656],["o2)cc1OC",-10.392636503313772],["c(CN(C)C)",-10.39264070348286],["▁N#Cc1cn(-c2ccc(",-10.392901298422409],["▁NC(=O)c1cccc(",-10.393339368834116],["▁CC(C)(C)N",-10.393435931472908],["O[C@H](C",-10.393840881996391],["▁CN(Cc1ccco1)",-10.393866518552894],["cc3c2",-10.39397296678764],["c-2c1",-10.394512225599671],["C(=O)/C1=C\\",-10.39497375715398],["c1cc(OC)ccc1OC",-10.395008862940578],["c1c2c(nc3c",-10.39514318801439],["[C@H](N)CC(=O)O",-10.395316669423243],["c2ccc(N3CC",-10.395393013920588],["C1(O)C",-10.39549593183456],[")C(Cl)(Cl)Cl",-10.395588790860074],["c2ccccc2F)n1",-10.395662574050114],["▁CC(=O)O[C@H]1",-10.395783239098163],["▁CC(C)[C@H]1C",-10.3959356011535],["CCCCc1ccccc1",-10.39612508408199],["▁CC1N",-10.396554100085456],["▁CC(=O)OCC",-10.39678826357448],["▁Cc1ccc(C2C",-10.396996314838107],["[C@@]3(O)",-10.39703313363504],["c3ccccc3c2=O)",-10.3971230515305],["CSc2n",-10.397170919002937],["CCc1c[nH]",-10.39724035513242],["▁CS(=O)(=O)NC",-10.397443485999249],["c2ccc(F)cc2F)cc1",-10.397464154210027],["[C@@H]2O[C@@]3(C",-10.397651428233395],["▁O=C(NCC1CC1)",-10.397703991606807],["▁CN(C)/C=N/",-10.397750423273363],["CC[C@@H](C)",-10.397910349554632],["c2[nH]ncc2",-10.397938843628076],["▁C=CCc1cc(",-10.397963129260768],["N2CC(C)OC(C)C2)",-10.398065912138795],["c2ccncc2)C1",-10.398141947828735],["C1CC(=O)",-10.398392294089284],["c3ccc(C(C)C)cc3)",-10.398423041778162],["▁Cc1cn(",-10.398517050062086],["C(=O)c1ccccc1Cl",-10.398577420005193],["C[C@H](O",-10.398721826474368],["Cc1cccc(F)c1",-10.398796415944418],["c2ccc(Br)cc2)CC1",-10.398906355530606],["c1cccc2c1CCCC2",-10.39912066576574],["c1[nH]cnc1C(=O)N",-10.399181259187426],["▁Cc1c(NC(=O)",-10.399187480823366],["N=C(S)N1CCN(",-10.399417212634262],["▁CC(=O)c1cc",-10.399520645026422],["c2C#N)cc1",-10.399575838145967],["▁CC1CCC(",-10.39975095643765],["C(CO)C",-10.39995479591324],["CN2CCCC(",-10.399989544401349],["Cc2cccc3ccccc23)",-10.400289328316989],["c1ccc(C(=O)NC",-10.400292167234866],["c4cc(C)ccc4",-10.40033866917135],[")C1CCC1",-10.400529481108006],["▁CCc1cccc(NC(=O)",-10.400765178541644],["c4ccco4)",-10.401321706741667],["C(=O)N3C",-10.401569140323843],["C[C@",-10.401691244461803],["/C=C/[C@@H](O)",-10.401694057246532],["CC=C",-10.40180346992561],["n2c3c(",-10.401927288665725],["c2nn(-c3ccccc3)",-10.40201337052387],["▁c1ccc(C(",-10.40235085209385],["c1cn2c(n1)",-10.402509338063656],["NC(=O)Nc1ccccc1",-10.402877042504183],["▁CCCN(",-10.403018731142096],["Nc2ncnc3cc",-10.403466462416684],["[C@H](O)[C@H]2",-10.403647644200149],["C(=O)c2cc(CO",-10.40388981080418],["c(NC(=O)C",-10.403955094015874],["O[Si](C)(C)",-10.404060311378965],["OCCOCCO",-10.404205844543592],["N1CCC",-10.404432825857567],["▁CCC(C(=O)N",-10.404514691483136],["▁[N-]=[N+]=NC",-10.40480178179613],["c2sccc2C)",-10.404867310643931],["[C@@H]1CC[C@H](",-10.4051531275787],["▁CN(C)c1ccc(-c2n",-10.405262223676289],["CC2CC",-10.405275150751091],["nc2n(C)c1=O",-10.405581155517744],["=C\\",-10.40578342903544],["C1=C(Cl)C(=O)",-10.405815184896335],["▁O=C1C(N",-10.406020127963243],["▁O=C(CSC",-10.40608361017659],["▁N#CC(C#N)=C",-10.406197532872149],["C[C@H](N)C(=O)N",-10.406484354515255],["c2ccnc3ccccc23)",-10.406502025310267],["c(-c2ccc(Br)cc2)",-10.40675706781299],["▁c1ccc2c(c1)C",-10.406832149538506],["C(=O)N12",-10.406889279976664],["c(C(=O)O)cc3)",-10.406926822997008],["-c3ccccc3)",-10.40693307720211],["▁CC(C)(O",-10.406996492102312],["c(N)c1C#N",-10.407141097437467],["@H]1[C@@]23OO4",-10.407207708641176],["2CCc3ccccc32)",-10.408205997815925],["C(=O)c2cccs2)cc1",-10.408216080336864],["C(=O)CC[C@@]43C)",-10.408345106986769],["▁CCCCCCCC/C=C\\CC",-10.408463137455298],["P",-10.408749964829354],["cc2)c(C)c1",-10.40885664454607],[")c1ccc(Cl)s1",-10.40905824455213],["c4ncccc4",-10.409059703285951],["C(C(N)=O)",-10.409079270995544],["c1cc[n+](C",-10.409153212999565],["C1=C(C(=O)O)",-10.409701728974415],["C12CC3CC(C1)CC(",-10.409791183514264],["[C@@H](O)[C@H]1",-10.409839196608544],["▁Cc1cs",-10.409908474267704],["C(=O)CC[C@]4(C)",-10.41008775751505],["▁CCCCn1c(",-10.410168129145603],["N(Cc4ccccc4)CC3)",-10.410385858127656],["▁O=C(N/N=C\\",-10.410447076491458],["CC2)c2ccccc21",-10.410842733148703],["(OCC)",-10.411271604964782],["[C@@H](CC)",-10.41157111967555],["c(-c3ccc(F)cc3)n",-10.412204196004089],["(N2CCCCC2)",-10.412234533319632],["c2ccc(Cl)cc2)no1",-10.412445554411423],["c2ccccc2)c1=O",-10.4125967041947],["C2=C(O)",-10.412612214845318],["▁CNC(=O)c1cc",-10.412645391325851],["c3nn[nH]n3)",-10.412922104081568],["▁CCCc1ccc(",-10.413045891291464],["[n+](C)",-10.413057323126536],["c4ccc(F)cc4)CC3)",-10.413172477189182],["▁Cc1ccccc1C(=O)",-10.413518085384217],["C1OC1",-10.413521193152016],["/C1=N/N",-10.413599854148629],["C(O)C(O)C1O",-10.413633123050754],["n3)CC2)cc1",-10.413733636397424],["▁CC12C",-10.413736276816506],["▁C=C(C)C(=O)O",-10.413759072208585],["[nH]c2cc1C",-10.413771450289],["[C@H]2[C@@H](",-10.4138805845857],["[nH]c(=O)c2",-10.413958722501183],["3)n2)cc1",-10.413995905016122],["C(c2ccc(O)cc2)",-10.414057332422772],["CNC(=O)NC",-10.414190026306263],["cc2c1N",-10.414418423917231],["nc2)n1",-10.41444053181154],["N2CCCC2=O)",-10.414506799927077],["▁Br.O",-10.414816097486458],["/N=C(\\N",-10.414912336482825],["CC[C@H](N)C(=O)O",-10.41498854466926],["▁CC(C)(C)c1cc(N",-10.415019911661798],["C(=O)c2ccco2)",-10.41507342113685],["c2cnccc21",-10.41548110999523],["c1)C2",-10.415644188878955],["/C(C#N)=C\\",-10.415728264704834],["N1C(=O)c2cccc3c(",-10.415811666859392],["/C(C)=N/N",-10.416035506049608],["n2nn",-10.416295941067272],["C(=O)NC2CCCC2)",-10.416498380871516],["CCF)",-10.416877773470135],["c2cc(F)c(F)cc2",-10.41706149271365],["no2)C1",-10.417574552481934],["▁Cc1cc(-c2ccc",-10.417670373350518],["C(F)(F)F)n2)cc1",-10.41785217992938],["Cc3ccccc3)CC2)",-10.417863928397107],[")OCCO2",-10.417910328119078],["▁CC(c1ccccc1)",-10.418173837864762],["[C@@H]1CC[C@@H](",-10.41824695599367],["c1ccnc(O",-10.418251043445412],["▁COc1ccc(Nc2n",-10.418268294917212],["N3CCc4ccccc4C3)",-10.418476223393444],["c2ncccn2)cc1",-10.418520590524842],["c3ccccc3F)CC2)",-10.418599857869744],["C2CN3CCC2CC3)",-10.41866889291522],["c(=O)c2c1O",-10.41876372990301],["N2C[C@@H]3C",-10.418932873095205],["C(C)(C",-10.4192814155803],["/C=C/C(=O)c2ccc",-10.419427286380438],["n1cnc2ccccc21",-10.419916320784068],["C(=O)Nc1ccncc1",-10.419941929669038],[")[C@@H]1O",-10.420029000579756],["c2ccccc2C)cc1",-10.420054401742853],["c2ccccc2N",-10.420075704136678],["▁Cn1cc(CN2CC",-10.420129144155108],["▁C#C[C@]1(O)C",-10.420285923958662],["c4o",-10.42031739672945],["[C@H](CO)[C@@H]",-10.420458878851743],["Cc1ccc(OC",-10.42070842754397],["C2CCC(",-10.420728882234238],["▁CC(=O)Nc1n",-10.420899465897644],["c2nc(N3CC",-10.4214077130779],["cc(O)c(O)c(O)c1",-10.42142168968729],["c2nc(SC",-10.421495014879714],["3c(=O)c(C(=O)O)c",-10.421611139537738],["c2ccc(-c3ccccc3",-10.421717213251403],["c2nc3ccccc3s2)c1",-10.42174726914422],["2CCC(C(N)=O)CC2)",-10.421785677462513],["▁c1cc2c(cc1",-10.421801533390628],["[C@@]3(C",-10.421871186982774],["3c4ccccc4",-10.421942700348689],["▁CC1CCCN(C(=O)",-10.422065158919466],["N1C[C@@H]",-10.422286706790626],["c2c(C)n(C)",-10.422396041547929],["N2CCNCC2)c1",-10.42262551858898],["c2ccccc21)",-10.422655657277916],["c3ccccc3)c2)cc1",-10.42272155614106],["c2nc(-c3cccnc3)n",-10.423211558152378],["c2nc(-c3ccncc3)c",-10.423279452090306],["▁COc1ccc(S",-10.423336026583389],["C(=O)N1CCC2(CC1)",-10.42340606549454],["n2nc(-",-10.423500189633506],["N(c2ccccc2)C1=O",-10.423508432024786],["CCCn2ccnc2)cc1",-10.424142186350268],["ccc3o2)cc1",-10.424247600080587],["n1-c1ccc(F)cc1",-10.424527211861054],["3)cc2)cc1",-10.424728668272625],["cccc2n1",-10.424782164040806],["c2ccccc2Cl)s1",-10.42492819495033],["▁O=C1CCc2cc(",-10.425358274810188],["[nH]c4",-10.425622340530497],["/C(N)=N/",-10.425912142650253],["C(=C)C",-10.42602311224513],["c2nonc12",-10.426167598488329],["(C)C)cc1",-10.426257436861864],["▁CCCCS",-10.426531385894382],["C2=NCCN2)",-10.426555571722696],["▁COc1cccc2cc(",-10.426617711306037],["c(-c2cccs2)",-10.42662574491678],["▁CCOc1ccc(-n2",-10.4267138367839],["c(C)nc2c1",-10.427491521864756],["c(C)n1-c1ccccc1",-10.427563067113844],["CP(=O)(O)C",-10.427597918027791],["▁Cc1cc(CN",-10.42776789802014],["[C@@H]1OC(C)=O",-10.4277912189027],["▁CCCNC",-10.427875118235296],["▁CCOP(=O)(",-10.427908972576589],["C1(c2ccc",-10.428209461558756],["(CC=C)",-10.428271750803738],["C4CC",-10.428458090774376],["▁C[C@@H]1O",-10.428486649726157],[")=C\\",-10.428515602809384],["/C=N\\N",-10.428704872299807],["NC(=O)c2ccccc2",-10.42894967830518],["▁CN(CC(=O)O)",-10.428982538510969],["c1ncnc2[nH]cnc12",-10.42908971535356],["CC[C@]23C)",-10.429185326745904],["c3co",-10.429237708458205],["c(C(=O)O)cc2)cc1",-10.42929728272696],["c1ncnc2c1ncn2",-10.42935056993508],[")Oc1ccccc1",-10.429409133366187],["[C@H]5",-10.42948554869134],["▁Cc1cncc(",-10.429662033340463],["c2ccc(C#N)",-10.429905135295682],["▁CCN(CC)CCOC(=O)",-10.42991765831488],["1CCN(C",-10.429961826397005],["c(=O)n",-10.43012280597342],["cc(C(N)=O)",-10.430566789797336],["c1ccc(Cl)c(C(=O)",-10.430590750263203],["C(=O)N/N=C(\\C)",-10.430661002016604],["c1-c1ccc(Cl)cc1",-10.430839057019131],["c1ccc(Nc2c3cccc",-10.430968772372497],["▁COc1ncccc1",-10.43111090035611],["▁OC(CO",-10.431122104636405],["▁CC(=O)OC1",-10.43115508496661],["c3cccc(F)c3",-10.431199428313152],["cc(C)c2c1",-10.43146051709899],["c3ccc(Cl)",-10.431657198241568],["c3c[nH]",-10.431707245501862],["▁CC(C)C(",-10.432047186601825],["c2ccc(O)c(",-10.43210332469094],["nc(N)nc21",-10.43217883123724],["c1ccc(C)c(",-10.432406232507097],["c(C)nn12",-10.432475320875252],["c1c23",-10.432702966663635],["n1c(=O)",-10.432748903340888],["CCCC3)cc1",-10.432785782300776],["c3cccc(OC)c3",-10.43288136507815],["▁Nc1",-10.43295616925263],["c(N3CCCC3)",-10.433152992274737],["C(=O)N2CCCC2)cc1",-10.43321832441849],["▁Cc1cc(NC(=O)CS",-10.433251732964994],["c(-c3ccccc3",-10.433422826054938],[")n1cccn1",-10.43355038306506],["(-c3cc",-10.433876016209052],["OC(C)C)",-10.433979865420469],["▁COC(=O)C(C",-10.433993664237873],["OC1CCCC1",-10.43407223968967],["▁C=C(C",-10.434388088104685],["c2nc(-c3ccncc3)n",-10.434395801561006],["c2ccccc2c(=O)n1C",-10.434515478452592],[")c1cn",-10.43471036163708],["c3)c12",-10.435146926696245],["Sc1ccc(Cl)cc1",-10.435394129514563],["(S(=O)(=O)",-10.435456848163584],["c2ccccc2OC)cc1",-10.435744665861936],["▁CC(CO)",-10.4358593223497],["▁COc1ccccc1O",-10.43589108239832],["c(=O)n1Cc1ccccc1",-10.43599649844658],["▁CCCCCCN",-10.436026544908922],["c2ncnc3c2cnn3",-10.43614116609054],["N(CCCl)CCCl)",-10.43626383780417],["[C@@H]2[C@@H](O)",-10.4363952275837],["N1CCc2ccccc21",-10.436409877356835],["N1CCN(c2ccc",-10.436448020642546],["C(=O)N[C@H](C",-10.437098781425448],["c3ccccc3n12",-10.437228385552014],["(-c2ccc(Cl)cc2)",-10.437277794497268],["c1nccc(N",-10.437358173492644],["(-c2ccc(F)cc2)",-10.437505846957094],["c1cc(NC(=O)",-10.437797649985274],["▁CC(=O)NC1",-10.437952112702186],["C(F)F",-10.437955265734706],["3ccccc3[nH]2)CC1",-10.437995575972176],["c4c[nH]",-10.4382004650736],["2CCc3ccccc3C2)",-10.438350181126868],[")c1cccc(Br)c1",-10.438495424925856],["c3ccccc3)nc2c1",-10.438615350597658],["C(=O)O)C1",-10.43887845579977],["c2c(N)n",-10.439436430414425],["▁CN1CCCC(",-10.439737844421296],["c(S)n",-10.43991698463377],["C4C",-10.439940054767767],["C(C(C)C)",-10.440144617090604],["c1c2ccccc2n",-10.440331531612475],["▁CSCC[C@H](N",-10.440352023664726],["S(=O)(=O)c1cccc(",-10.440403949817984],["CF)",-10.440423502335651],["▁Cc1c2c(",-10.44051315961199],["CN(C(C)=O)",-10.440594955603125],["c3cc(C)",-10.4406434498625],["CCCC)",-10.440652694814052],["c3nnnn3",-10.440706165302814],["C(CN",-10.44080353530808],["[O-].[Na+]",-10.441046701435228],["N21",-10.441459113169245],["C(=O)O/N=C(\\N)",-10.441997320767468],["nnc1-c1ccncc1",-10.442261323416144],["c1cc(OC)c(",-10.442411613881974],["nc(-c2ccc",-10.442553615328093],[")N1CCCC(",-10.442592135642816],["C1CC2",-10.44265389485835],["▁O=C(O)CCCCC",-10.44291129282297],["C1CCCNC1",-10.443228184125832],["▁Cc1cc(NC",-10.443407041675805],["▁Cn1ccc(",-10.44345022454793],["ccc1OCc1ccccc1",-10.443677237098523],["COc1ccc",-10.44369858412615],["[nH]c4ncccc34)",-10.444048900274847],["c3cc(C)cc(C)c3)",-10.444568622892664],["c(Oc2ccc",-10.444631539399204],["c2c1ncn2C",-10.444881515922836],["Cc2co",-10.444885767912586],["▁NCCCC",-10.444901792239108],["nc32)c1",-10.444947581722223],["ccn2)cc1",-10.445311516105848],["C(=O)c1cccc(",-10.445456822718697],["▁CCCCCC(=O)N",-10.44549552689113],["c2ccc(OC)",-10.445545187171406],["▁Cc1cccc(C)c1-",-10.445545380054504],["▁COc1ccc(OC)c2c1",-10.44563096063102],["c1ccc(CCNC(=O)",-10.445995531170723],["cc1=O",-10.446011191661592],["NC(C",-10.446117658944278],["▁O=C1COc2ccc(",-10.446192834992557],["cccc3",-10.446257819468148],["c4ccc(",-10.446291542110645],["S3)",-10.446325952901422],["sc2ccccc21",-10.446610232529071],["n3ccnc3",-10.446887807394274],["(/C=N/O)",-10.447013081099444],["▁CCC(C)N",-10.447094123515637],["▁Cc1ccc(Cl)cc1",-10.44718723747902],["(c2ccc(Cl)cc2)",-10.447375066858775],["c(C(F)(F)F)c2)c1",-10.447681234293814],["[C@H](O)[C@@H]2",-10.447707051328916],["CCN1CCC(",-10.447897315631549],["▁CCCCNC",-10.44794256389032],["nc3ccccc32)cc1",-10.447992728634487],["C(c2ccccc2)=N",-10.447994526910648],["OC(=O)c1ccccc1",-10.448195816344748],["N(CCO)CCO)",-10.448418422500971],["C2CCCCCCC2)",-10.44878787564642],["▁COc1ccc(CNC",-10.44881166209474],["(NC(=O)c1ccccc1)",-10.44883335919872],["Cn1nc(C)",-10.448971248114418],["o4)",-10.449017267228534],["C1CN(C",-10.449036748808911],["▁CC(C)Cc1ccc(C(C",-10.449096183471903],["▁O=c1c(",-10.449607148489124],["c3c(N)n",-10.449699764695428],["COc2ccccc21",-10.44998805325587],["▁C=C1C(=O)[C@@]2",-10.450016815817104],["Cc1cn(C",-10.450162985526692],["c1ccc(Oc2cc",-10.450206424917418],["n23)cc1",-10.450398461538189],["c1ccc(Cl)cc1)C2",-10.450639488102384],["C23CC",-10.450729980509704],["c3nnn4cnc5[nH]cc",-10.451096791737278],["C2CCCN(",-10.451115609634558],["c3ccccc3)C2)",-10.451353939553236],["NC12C",-10.451563219759093],["Cn1c2ccccc2",-10.451594615436056],["▁Cc1cc(S(=O)(=O)",-10.45193280667576],["▁CCCCN1C",-10.451949137915612],["c2ccccc2)c(O)c1",-10.452045433653916],["c2ccccc2N)",-10.452093614975034],["CC4",-10.452126611129785],["c2ccccc2NC1=O",-10.45219363079657],["c2ncn(C(C)C)c2n1",-10.45250072959288],["▁O=C(c1cccnc1)",-10.452715782104594],["C2C(",-10.452781171272242],["(C(=O)c2ccccc2)",-10.452932880763274],["▁N=C(N)NCC",-10.45338757186195],["Cc1nc(N)nc(N)c1-",-10.453535951140324],["▁Cc1ccc(C2=N",-10.453951192554165],["n1-c1ccc(",-10.454126310301843],["N2C(N)=NC(N)=NC2",-10.4543546952153],["N2C(C(=O)O)=C(",-10.454451936011385],["C2CCCCO2)",-10.454488689214124],["Cc2cccnc2)",-10.45466666072533],["c(-c3ccc4c(c3)",-10.455078653529196],["▁COC(=O)C1CCN(",-10.455210309667915],["NC(=O)NC1=O",-10.455247865984656],["C(Cl)Cl)",-10.45543324450716],["C(=O)c1ccccc1)",-10.45559954597347],["[C@H](O)CC",-10.455661594429351],["▁O=C(/C=C/C=C/",-10.45591829872106],["▁N[C@@H]1C",-10.456098496400498],["C(C)(C)O1",-10.456130058944336],["c3cc4c(",-10.456240472564334],["N1Cc2ccccc2C1",-10.456332744829275],["c3ccccc3o2)cc1",-10.456594292563446],["▁Cc1ccccc1N1CCN(",-10.456679439844764],["n2)no1",-10.456955608134844],["N3CCCC3",-10.457471943624668],["c(-c2ccccc2)n",-10.457749836279024],["N(CC)CC",-10.457782425498364],["CSc1nnc(-c2ccc",-10.457798367600915],["(OCc2ccccc2)",-10.458129696528374],["▁Cc1ccc2nc(N",-10.458203154454225],["▁CC1(C)[C@H]2C",-10.4585590529231],["nc3[nH]ccc23)C1",-10.45860180866822],["▁CN(CCO)",-10.45880286707173],["C3)c",-10.459104709493698],["c2ccc3cc",-10.459192656286554],["▁O=C(NCc1ccncc1)",-10.459362930909048],["CC2)cc1OC",-10.459387979851387],["c1cc(O)c2c(c1)",-10.45950996245535],["c(OC)c(OC)",-10.459704090984562],["(C4CC4)",-10.45976797977719],["NCc2ccc",-10.46012412663552],["CCCS",-10.460846741781388],["▁CNCCC",-10.46087934225577],["C(=O)Nc2nnc(",-10.460972068334218],["CCO)cc1",-10.461050761659802],["N2CCC(O)CC2)",-10.461289719609995],["2cc(OC)c(OC)cc12",-10.461349785616209],["c2c[nH]cn2)cc1",-10.461408911106323],["c3nnn[nH]3)",-10.4615627913413],["c3ccccc3s2)cc1",-10.461582861544574],["c1c(O)cc(O)cc1O",-10.461690438964965],["c2)n",-10.46192467942809],["/C(=C\\C=C\\",-10.462010369085224],["C[C@H](N)C(=O)O",-10.462105142770149],["cc1)C2",-10.462135681849809],["▁Fc1ccc(-c2c",-10.462342115210037],["▁Cc1cc(C)n(C(=O)",-10.46236823144455],["[N-]",-10.46254742039646],["[C@H]2CN(C",-10.462548542120274],["▁CCCCCn1cc(C(=O)",-10.462831587078757],["CN(CCO)C",-10.462868336005542],[")C(=O)CC",-10.463315448855404],["c2ncc(C(F)(F)F)",-10.463416344898878],["c2c(Br)c",-10.463680351286811],["n2)ccc1O",-10.463828382426566],["C1=NS(=O)(=O)",-10.463878667443469],["▁CCN(CC)c1cc",-10.46403753624852],["N1CCC(O",-10.464090052700003],["s2)s1",-10.464201093992845],["CCCCCCCC(=O)O",-10.464283606619452],["c1cccc(C(N)=O)c1",-10.46438920320253],["c1cc(-c2n",-10.464765587863194],["▁CC(=N)N",-10.46486073345277],["COc1ccc(Cl)cc1Cl",-10.465095846956512],["nc(SCC(=O)N",-10.46516348735095],["▁COc1cc(/C=C2\\",-10.465392502847518],["c(OC)n1",-10.465401040437516],["NC23CC4CC(CC",-10.465645293172868],["▁O=C(CN1CCOCC1)N",-10.46585687888957],["=C(c2ccccc2)",-10.465868413849147],["cn23)cc1",-10.466033218547498],["=C(C)C1=O",-10.466052605643023],["▁FC(F)",-10.466152868964617],["▁CC(C)Cc1ccc(",-10.466294133358089],["o2)C1",-10.46644677066595],["C2CC3",-10.466790872402193],["[C@@]",-10.466846349023784],["c2nc3ccccc3c(=O)",-10.46687230613733],["CN(C)CC2",-10.466942711304103],["CNCC3",-10.466970437562736],["▁CC(NC(=O)C",-10.467113469602705],["(OCC",-10.46726409092458],["▁COC1C",-10.467314589979852],["COc3ccccc3)",-10.467421576875726],["(CCCO)",-10.46745692250343],["ncc(-c2ccccn2)o1",-10.467496017789252],["▁COC(=O)c1ccc(C",-10.46760093074952],["C/CC/C(C)=C/C",-10.4676144591436],["c1ccc(Oc2ccc",-10.467721711823224],["P(=O)(O",-10.467842896687758],["OC(C)C(=O)N",-10.468398418612503],["NCc2ccccc2)",-10.468628201346975],["Oc2ccc3c(c2)",-10.468661819386856],["▁C/C(=N\\O)",-10.469238577543347],["n2nnc3ccccc32)",-10.469283346342648],["CCCN2CCOCC2)",-10.46953596479451],["▁c1ccc2c(",-10.469715246971164],["C(=O)c1c(O)c",-10.470032344041645],["(=S)",-10.470066228073312],["c1c(O)c",-10.47020374919781],[")c2ccccc12",-10.47047948747983],["c2cccc(-",-10.47059909581258],["CN2CCc3ccccc3C2)",-10.470788408817134],["cn(C",-10.470983686175789],["▁Cc1nc(SC",-10.471052876658051],["c3c(OC)cccc3",-10.471173046950687],["C[C@H]2[C@@H](C)",-10.471680144884168],["▁CCn1c(SC",-10.47199099869032],["c(=O)n2c1",-10.472184330763405],["c3ccc(N)cc3",-10.472298851256117],["C(=O)NC2=O)cc1",-10.472414757797177],["c2cn(C)",-10.472531762597216],["▁COC(=O)c1ccc",-10.472591695519142],["C(=O)CCl",-10.472616925811195],["c1cccc(C(=O)",-10.472684552359206],["▁Nc1nc2c(",-10.47294836365319],["C3)n",-10.473110301515938],[")no1",-10.473523063430376],["c1cc(F)cc(F)c1)",-10.473852702881768],["COc2ccc(Cl)cc2)",-10.4739396989285],["n2c(nc3ccccc32)",-10.47437384286972],["c2ccc(F)cc2)o1",-10.474402294238471],["c(NS(C)(=O)=O)c",-10.474738762650237],["c3cccc1c32",-10.474825070858524],["c2cc(-c3cccnc3)c",-10.474934955547656],["/C=C2\\CCC/C(=C\\",-10.475227567222332],["▁Cc1c(OC",-10.475660428051764],["c(C)c3)",-10.47578753030859],["c3ccc4c(c3",-10.475789460294068],["=CC(=O)",-10.475891724720949],["3)c",-10.476112028350936],["c2ccc(O)cc2)c1",-10.476351868407974],["▁Cl.c1ccc(",-10.476530262909572],["▁CCN(CC)CC(=O)N",-10.476543108263476],["c3cccc1c23",-10.476679375214108],["▁CCCn1c(=O)c2nc(",-10.476739277506503],["c(=O)n1-",-10.476783311314092],["[C@@H]1CN(",-10.47697370965684],["(CN2CCOCC2)",-10.47715413987948],["c1ccc(Cl)cc1F",-10.477211134722602],["c2cc(C)ccc2C)",-10.477271760165232],["Nc1nc(-c2ccccc2)",-10.47731111016639],["n2)c(OC)c1",-10.477551632571172],["▁Cc1ccc(C)n1-",-10.477625027865455],["Cc2c[nH]cn2)",-10.477715511449716],["c(C(C)(C)C)",-10.477796044256449],["(c1ccc(F)cc1)",-10.477878934290452],["CCN2CCOCC2)cc1",-10.47813146228146],["nc23)c1",-10.478398356327794],["c(Cl)c(Cl)c3)",-10.478729371342542],["c2cccc(C)c2)c1",-10.478874849943944],["C(=O)NCC3CCCO3)",-10.47890304556786],["C(=O)NCc3ccccc3)",-10.479296242745352],["▁CC(=O)Nc1nc(",-10.479592565464271],["2)nc2ccccc21",-10.479699829841683],["C1OC(",-10.479867595572632],["[C@H]2C[C@H](",-10.48018004777575],["c(O)nc2c1",-10.48028152953854],["C(=O)Nc3cc",-10.480634335561207],["▁CCOC(=O)C1=C(",-10.480743675613008],["C3CCCCC3",-10.480901785564331],["Cn1c(=O)",-10.481137329412736],["▁CCC(C)[C@H](N",-10.48114972439508],["cnn2",-10.481259938184325],["c2ccccc2)ccc1O",-10.48130619857318],["CCNCC",-10.481316017004197],["c3c(Cl)cccc3",-10.481549875557514],["▁CO/N=C(\\",-10.481871483766009],["C(O)CC",-10.48194881296376],["c3nc(-c4ccccc4)",-10.481985932721978],["C3)CC1",-10.482202661438604],["(NC(=O)N",-10.48220850986108],["n2nc(C)cc2C)",-10.48235609300487],["nc2-c2ccccc2)cc1",-10.48246799480633],["C(C)(C)N1",-10.48248251409599],["CCCCCNC(=O)",-10.482617961823806],["▁Cc1ccc(C(",-10.48272431298946],["ncnc2s1",-10.482757565420595],["CCC(=O)N1C",-10.482820621746004],["N3CCNCC3)",-10.48283148273023],["c(F)c3)",-10.482845584429548],["c1ccc(C(C)=O)cc1",-10.482846522058155],["c3c(c2c1)",-10.482965508514964],["[C@@H]2CN(C(=O)",-10.482986357549253],["c2ccc(OC(F)F)cc2",-10.483477401984109],["c2[nH]c(-c3ccc",-10.483748030129526],["[C@@H](CC=C4C",-10.483852948172103],["CCN2CCOCC2)c1",-10.484066491698451],["▁OC(CNC",-10.484088392324123],["c2c1ccc1ccccc12",-10.484092618999233],["c2nc(C)cc(C)n2)",-10.484097625268308],["▁Cc1nn(CC(=O)N",-10.484106708318464],["c1c(Cl)",-10.484146484338284],["CN1CCc2ccccc2C1",-10.484753452078875],["▁CC(Cc1ccccc1)",-10.484789608118565],["Cc1cn",-10.484863045402616],["N=C(S)NC",-10.48489359056208],["C3CC[C@@]21C",-10.485518153125389],["nnc3s2)cc1",-10.485623887095162],["C(=S)N1",-10.485667990286268],["(F)F)",-10.485791919614083],["▁C[C@@]1(O)",-10.485838780225528],["2)c(C)c1",-10.486283057357914],["c2)c(C)c1",-10.486357308071405],["▁COc1c2c(c",-10.486417427743111],["c(C(O)",-10.48688931223788],["C(c1ccc(O)cc1)",-10.487621139763045],["c1sccc1C",-10.487853330280332],["c2nc[nH]c2",-10.487999884771355],["(C2)",-10.48809383694064],["/C(C)=N/NC(=O)",-10.488542443351044],["▁CCCCc1c",-10.488616397485746],["C(C)C)s1",-10.488731380369115],["CC(=O)N2C",-10.488736228799688],["[C@@H](OC",-10.488764142721068],["▁C=CCN1",-10.488765854538356],["NC(=O)C1C",-10.488855472849185],["c(Cl)cc21",-10.489231737525497],["c(N(C)C)",-10.489300984263624],["c1-c1ccc(F)cc1",-10.489409705486043],["-c2nnc(SCC(=O)N",-10.489419804730188],["▁O=c1c2ccccc2n",-10.489486110868992],["▁NC(=S)N/N=C/",-10.489974890539145],["c2cc(OC",-10.4900641443263],["c(NC(C)=O)",-10.490136917872109],["c3cccc(C(F)(F)F)",-10.490152089801494],["▁CCc1nc(",-10.490230450341908],["▁CC/C=C/",-10.490278187849857],["▁N=C(N)NC(=O)",-10.490302797782288],["2Cc3ccc(O)cc3",-10.490601657815636],["N1C(=O)CCC1=O",-10.49061179057162],["c(O)ccc2ccccc12",-10.490632439143829],["c2ncc(",-10.490760988782812],["C=",-10.490776547950286],["▁N#Cc1cccc(N",-10.490828219947211],["CC=C2",-10.490835764999762],["(N=[N+]=[N-])",-10.49087010314618],["▁Cc1nc(NC",-10.490979548259949],["C3=C2C(=O)",-10.491051870971422],["▁N=C(N)Nc1ccc(",-10.491217416423478],["[Si](C)(C)C)",-10.491384421194212],["C(=O)NS(=O)(=O)",-10.491496489970928],["cc2)c",-10.491638147468803],["CC(N)C(=O)O",-10.491685129572977],["▁COC(=O)/C(=C/",-10.491886760537533],["c(-c3ccccc3)c2c1",-10.492050022672974],["▁Cc1cc(OCC(=O)N",-10.492645451164556],["CSC(=N)N",-10.492861342245693],["c2cccc(Cl)c2)C1",-10.493019256447669],["C)C(=O)",-10.493416784894569],["[C@@]23CC",-10.493583207618707],["▁N#C/C(=C/",-10.493678721550172],["c1ncccc1O",-10.493712066206998],["c1cccc(O)c1O",-10.493729136034002],["c4ccc(F)cc4",-10.493988320476484],["NC(=O)c1cn",-10.494038941934978],["c3ccccc3c21",-10.494085931235263],["▁C[C@@H](N",-10.494086462042794],["CCN3CCCC3)",-10.494239616184556],["c3ccccc3)c12",-10.49463482089502],["▁NCCN",-10.494674601271155],["CCO3)",-10.494746129809457],["C(=O)c1ccc[nH]1",-10.494771093111083],["c(I)c",-10.495545477542484],["P(=S)(",-10.495762641989298],["▁COc1ccc(CN2C",-10.495887379724811],["/C=C(/C)",-10.496284502176968],["c3cncnc3)",-10.496742274452156],["ccc23)",-10.497130757441608],["c2N)c1",-10.497321631977382],["▁CC(C)N(CC",-10.497331872617156],["▁O=S(=O)([O-])",-10.497375273282191],["N(c4ccccn4)CC3)",-10.497389375593142],["(-c3ccc(C#N)cc3)",-10.497396774908315],["c(CN)",-10.497494595247035],["▁Cc1ccc(NC",-10.497661629360897],["▁CC1(C)CC(=O)C(",-10.497773496124356],["CN2C(=O)C",-10.498336604608395],["c2cc(Cl)c(O)cc2",-10.498372690181988],["c2nnc(-c3ccncc3)",-10.498415204436752],["/C=C/c3ccccc3)",-10.498458269761294],["(c2ccccc2)C1=O",-10.498548311010946],["▁O=C(c1ccc",-10.498674993823045],["▁NS(=O)(=O)O",-10.498693035655066],["C(=O)c2c1c",-10.498708564648876],["(Cl)c",-10.49891427298789],["CCn1c(=O)",-10.498982810247258],["n(Cc2ccccc2)",-10.499058502515268],["▁C[N+]1(C)CC",-10.49909260846499],["c(C(=O)OC)c",-10.499128507884144],["c1=N",-10.499202129520636],["▁CCOC(=O)Nc1cc",-10.499427168167896],["c4cccs4)",-10.49957472995964],["▁CN1C(=O)/C(=C/",-10.49964005198525],["▁N=C(C",-10.499788843635873],["c2ccc(OC)cc21",-10.499848544810824],["▁NCCCN",-10.4998789809638],["▁OC[C@@H]1",-10.499886628104502],["c3cc(F)c",-10.49995633058502],["[C@@H](O)C1",-10.500036297462795],["c3ccccc3)cc2)CC1",-10.500091514704934],["c(O)n2n1",-10.500705269141372],["n2-c2ccccc2)cc1",-10.500798690545468],["c1ccc2c(c1)CCCN2",-10.500850350301585],["s2)C1",-10.50125438103424],["(CNC(C)=O)",-10.501270220951168],["▁Cc1cccn2c(=O)",-10.501621635876774],["Oc1ccc2ccccc2c1",-10.501650563141713],["[C@H]1OC(=O)",-10.501672352372406],["NC(=O)N(C",-10.501813893791994],["C(C(=O)O)C1",-10.501940188546442],["▁Cc1ccc(-c2ccc(",-10.502098204281468],["▁NC(N)=N",-10.502345789139271],["ccc1C(=O)N",-10.502631147684392],["▁Cc1ccc(C(=O)N2C",-10.502752113079206],["c2ccc3o",-10.502765029798024],["CCCC4)",-10.502852393807228],["n1c(C)n",-10.502910415323084],["nc2N1",-10.502976431743988],["c2ccc3c(c21)",-10.503015879100747],["▁CC(C)(CO)",-10.503347567495195],["C(=O)Nc2cccc(",-10.503383089901693],["[C@@H]1[C@H](",-10.503419858998008],["▁O=C(NO)c1cnc(N",-10.503820982949966],["2CCN(S(C)(=O)=O)",-10.503865121965706],["▁Nc1ccc(-",-10.504120290622224],["[C@@]12CC",-10.504172169665402],["c(-c2ccnc(N",-10.504174165236488],["▁C=CCn1c(",-10.504265649745212],["▁CC(C)=C1",-10.50444882209324],["c1nnnn1C",-10.504561054686596],["▁O=C1C(Cl)=C(N",-10.50456787997392],["c(-c3ccccc3F)",-10.504647269785302],["▁CN(C)CCN1C(=O)",-10.50532120070054],["n2n",-10.505530919549194],["OCCN",-10.505699314134796],["▁CC1(C)CC(=O)c2c",-10.506043211180735],["▁COc1ccc(-c2ccc",-10.50626442794655],["[P@",-10.506516771935788],["cc2Cl)n1",-10.506659401860745],["=CC",-10.50679714057947],["CCP(=O)(O)O)",-10.507050422797214],["▁CC(C)COC(=O)",-10.507189137423795],["[C@]23",-10.50780398298332],["▁CN(C)CCCNC(=O)",-10.50793848427011],["Cc1c(F)cccc1Cl",-10.507980853560577],["▁c1cc(C",-10.508104491786236],["[C@@H](Cl)",-10.508203383961632],["c2ccsc2)cc1",-10.508373136885648],["C(C)=C2",-10.508423529510344],["CN2CCc3c(",-10.508481828547149],["c(Cl)c3",-10.50857978902172],["▁Cl.c1ccc(C",-10.5086789924181],["C2)on1",-10.50871316813332],["c2c(Cl)cccc21",-10.508742275595324],["(C4)C2)C3)c1",-10.508804317452054],["C(=O)N(CC)",-10.508884738302404],["[n+]2cc",-10.50895496960987],["N2CCN(c3ccc",-10.508957442963016],["(S(=O)(=O)N(C)C)",-10.50913818977028],["cc2Cl)c1",-10.509246526726768],["c2[nH]c(O)nc2c1",-10.509246737294026],["c1ccc2nc(N",-10.509269109927068],["(C)C(=O)N",-10.509363918033092],["▁COC(=O)CCC",-10.509516964286052],["▁Clc1ccc(OC",-10.509647113849526],["S/C1=N\\",-10.509651007412288],["[C@@H]2C[C@H]2",-10.509893062557238],["▁Cc1cc(C(=O)N2CC",-10.509963372744808],["▁COCc1c",-10.51001389348253],["▁CCC(=O)N1CC",-10.510028846593816],["▁Clc1ccc(CN",-10.51008551792644],["CCCl)",-10.510204558709344],["3c(",-10.510226926283456],["c2ccc(OC)cc2)CC1",-10.510259535272876],["=N/C1=C\\",-10.510455627391355],["ccc(c23)C1=O",-10.510624100514969],["-c1cccc(",-10.51070917035074],["c(C2C(C#N)=C(N)O",-10.510842548608938],["c1ncn(C",-10.511141019119108],["C(=O)N(C)CC(=O)N",-10.511146941803675],[")B(O)O",-10.511164583065227],["▁CCC(CC)C(=O)N",-10.511179892588816],["CC2=O)c1",-10.511188131839182],["c2c(s",-10.511306780291036],["▁CCCCc1n",-10.511341388626503],["C13",-10.511346344215196],["Oc3cc",-10.511377021180738],["c3ccccc13)C2",-10.51144554246629],["C(C#N)(C#N)",-10.511708947792783],["C(=O)Nc2nccs2)",-10.511785619781763],["CC=C)",-10.511878962973467],["c3cccc4ccc1c2c34",-10.51195185448016],["▁Cn1cccc1C(=O)",-10.511952325593612],["▁N#C[C@@H]1C",-10.512091413345235],["c1c(Cl)cccc1",-10.5121465105433],["c3ccccc3)cc2c1",-10.512213083337436],["nc3)",-10.512345743184108],["N3CCC(C)CC3)",-10.512758253718294],["▁CC(C)(C)c1c",-10.512770821247754],["▁Cc1cnn(CC2CCCN2",-10.51284032620855],["SCC(=O)N2",-10.51286112786402],["▁C[C@H]1CN(",-10.512900266567687],["▁CCCCN(C",-10.512960128364735],["C1CC(=O)N(C",-10.513011091562252],["(O)c(C(C)(C)C)c1",-10.51307779119004],["[N+](=O)[O-])o2)",-10.513154360845714],["C1CCOC1",-10.513211471559233],["▁O=S(=O)(Nc1cc",-10.513663173554384],["▁O=C(O)CCCCCC",-10.513713772784378],["OC(F)F)",-10.513850912496046],["c1nccc2c1[nH]c1c",-10.513982915857929],["▁CCCC(=O)O",-10.514033454064233],["▁O=C(CCS",-10.51410581621128],["nc2sccn12",-10.514108855283888],["▁CCCCOc1cc",-10.514284492414497],["c1ccc(SC)cc1",-10.51475316222139],["n3cccc3",-10.514981023006904],["c1cccc2n",-10.515031850915063],["c2ccc3nc(",-10.515132431640064],["CC#N",-10.51529404643336],["c2ccccc2S",-10.515314125918255],["(S(C)(=O)=O)",-10.515389096501709],["nc23)CC1",-10.515522571862338],["c(-c2ccncc2)n1",-10.515718611731987],["▁O=C(O)CN1C(=O)",-10.515976138657877],["▁Cc1ccc(CNC(=O)C",-10.516197072181052],["Sc2ccccc2)",-10.516237934833514],["/N=C",-10.516298607349489],["2CCCc3ccccc32)",-10.51641730634758],["c(O)c(C",-10.516423959112904],["NC(=O)C1CCCCC1",-10.51645472687963],["c(C#N)c1=O",-10.517037253107333],["c(-c2ccc(O",-10.5173844538406],["▁O=S(=O)(NCC",-10.517961923720335],["▁Cc1cccc(-c2c",-10.518023211796482],["[C@]23C",-10.518086417061513],["▁Cc1ccc(N2CC(",-10.51825846366982],["CC(C)O)",-10.51847197582016],["c1ccc(C)cc1C",-10.51847775008715],["C(=O)N/N=C/c2ccc",-10.518646525154017],["▁O=c1cc(N",-10.518717745851006],["▁Cc1nn(",-10.51877225214506],["▁CC(C)N1CCN(",-10.51879383834154],["▁C[C@]1(O)C",-10.518848495180926],["n(C)c12",-10.518918162837275],["c2cc(Cl)ccc2OC",-10.518986416059722],["C(O)=C(",-10.519241438466713],[")C1CC",-10.519254829004712],["CSc2nc3ccccc3",-10.519465554487192],["c3ccccc3)ccc12",-10.519470666673238],["▁COc1cc2c",-10.519636680727288],["n2-c2ccc",-10.519909227291752],["n2c(n1)OC[C@@H](",-10.520087804940484],["C(=O)N21",-10.520325674051],["C(=O)NC(C)(C)C",-10.520369479127648],["▁CCOCCOC(=O)",-10.52038070058714],["C(=O)c2cc(OC)c",-10.520395814830628],["c1c[nH]c2cc",-10.520599030493774],["▁CCc1nc(C",-10.5206027222282],["▁N[C@@]1(C(=O)O)",-10.521391375186],["▁COc1ccc(/C=C2/",-10.521396541172074],["▁CCOC(=O)c1cc",-10.521692002820725],["▁Oc1ccc",-10.521771164332002],["▁CC(C)c1nn",-10.522130250191337],["Cn2c3ccccc3",-10.522222006958351],["CCCN1",-10.522238225800066],["cc3)c12",-10.522539771587102],["[C@]4(C)",-10.522592523557902],["C(=O)C1=O",-10.522906437426332],["c1ccc(O)c(O)c1O",-10.523001196043582],["[1",-10.523003820301083],["c2cn(",-10.523030585459024],["OC)c1",-10.523106678024288],["ccc1C#N",-10.523450459166408],["▁Cl.N#C",-10.523586753714952],["O[C@@H](CO)",-10.523863443136808],["c3c(C)cccc3C)",-10.523877838583562],["▁Cc1nc2ccccn2c1",-10.523993095717536],["CN1CCOCC1)",-10.524018786935702],["c2cc(C(C)(C)C)",-10.524263699275116],["CC(NC(=O)",-10.524299084598216],["▁CC1CCN(C",-10.524367060212114],["▁CSc1ccc(C",-10.524601401155946],["C4CCC4)",-10.524741506959751],["n3c2c1",-10.525097429954712],["▁CNS(=O)(=O)c1cc",-10.525179956706552],["n(C)c3ccccc23)",-10.525231402829062],["c2ccc3c(c2)CCO3)",-10.525237520925936],["nc2n1C",-10.52528604722213],["[C@H]1CC[C@H](N",-10.525441698049558],["c1ncc(-",-10.52565482046408],["c2=O)CC1",-10.525896144616215],["2)c(OC)c1",-10.526259367621671],["▁Clc1ccc(C2",-10.526391297506883],["C(C(=O)OCC)",-10.526400743187397],["oc3c2)",-10.52656228610493],["▁O=C(CCNC(=O)",-10.526594810170788],["c1ccc[nH]1)",-10.526600042409187],["c3cc4ccccc4cc3",-10.52682988045305],["c3cc(O)cc(O)c3",-10.527085001467288],["/C=N/n2c(S)nnc2",-10.5271372745263],["[C@@H]2C[C@H](O)",-10.527201064471214],["c(C)nc3",-10.527365346751738],["c1ccc(NC(=S)N",-10.527404370804504],["c1ccc(NC(S)=N",-10.527468280135087],["c3ccccc3c12",-10.527553282275855],["▁Cc1nc(C)n(",-10.527740279336305],["+2]",-10.52774980437336],["c2c(Cl)cc",-10.527799895587451],["(-c3ccc(F)cc3)n",-10.52789527748332],["▁C[C@@H](N)",-10.527930301341913],["c2cccnc2O",-10.528472001071718],["▁c1ccc(O",-10.528496792185638],["c3cccc4cccc(c34)",-10.528673174346675],["nnc1",-10.528712592924968],[")nc1",-10.528889324828343],["c1cc2c3c(c",-10.528985805252972],["▁C=C[C@]1(C)C",-10.529035948915464],[")Nc1cccc(F)c1",-10.529282698528103],["▁COc1cc(C)",-10.5293077696614],["c(=O)c2c",-10.529430140825095],["C(=O)O[C@@H]2",-10.530157550740975],["S(=O)(=O)[O-])",-10.530191048181711],["c2ccccc2)c(OC)c1",-10.53070148626226],["c3nc3ccccc23)cc1",-10.53089630626254],["C(=O)N2c3ccccc3",-10.5310103170703],["[C@]2(C)O",-10.53101937914878],["▁Fc1cccc(Cl)c1",-10.531066333954548],["C[C@H]1CN",-10.531123727344283],["▁COc1c(C)c",-10.531389930320412],["-c3ccc(F)cc3)",-10.531493478446444],["[C@H]1CN2CCC1CC2",-10.531512978770312],["c(C)o2)cc1",-10.531523885042478],["[C@]34",-10.53157661905854],["▁Cc1ccccc1-c1c",-10.531626888659927],["▁Nc1nc(NC",-10.532017948006022],["▁O=C(O)c1ccc(C",-10.53203070854818],["n1c(=O)c2c(ncn2C",-10.532072984946206],["C[C@@H]2CC[C@H]1",-10.532080671998816],["[C@@](C)(CO)",-10.5324102982049],["C(=O)N1CCC(C",-10.532440344631368],["c(C(=O)O)c(=O)",-10.532447095137057],["2CCCCC2",-10.532634829889847],["-c1nc",-10.53267602672524],["nn2-",-10.532680176265115],["COc2ccc(",-10.53280153041494],["n[nH]c2",-10.532900556230471],["▁CCN(C)",-10.532965015190005],["C2)c",-10.532989019422452],["▁[O-][S+](C",-10.533182678147888],["C(=O)N2CCCCCC2)",-10.533340467289186],["(CNC(=O)",-10.533473736635903],["C1=C(C",-10.533736120223496],["NC1=N",-10.533801729124916],["COC(=O)CNC(=O)",-10.533845822532989],["on2)c1",-10.533866049060638],["n2CC",-10.534100245651295],["c(Cl)n1",-10.53442690109808],["▁CCCCC(CC)",-10.534439918802448],["▁CCSC",-10.534471398492144],["▁Cc1ccc(Cl)cc1N",-10.5346501458858],["c1cccc(I)c1",-10.534735827935169],["[C@@H]2C[C@@H]2",-10.534753625855911],["C(=O)Nc1ccccn1",-10.534795890817954],["nc(SCC(=O)",-10.534943345076549],["c2ccccc2)c1C",-10.535170838694055],["▁CCCCCc1c",-10.535319512458752],["▁CNc1ccc(",-10.535501727366016],["O)nn1",-10.535526446794837],["(O)[C@H]2O)c1",-10.535546270594423],[")ccc21",-10.535664762819213],["▁CCCCCCCCO",-10.53567838695282],["c2C(N)=O)C1",-10.535917132470264],["c1cccnc1Cl",-10.535944388482516],[")c1cccc(O)c1",-10.536242150638463],["3)C1",-10.536398117451911],["▁CCc1c(C)n",-10.536402906603332],["▁NC(=O)c1cc(",-10.53649772178396],["N(CC(=O)N",-10.536563502763745],["CCNC(=O)c1c",-10.536570182061045],["▁COc1ccc(/C=C\\",-10.536579591048788],["[C@@]23C",-10.536809784622491],["▁CN1CC(",-10.536853598920729],["▁CC1CCCCN1C(=O)",-10.536902383891317],["N(Cc1ccccc1)C",-10.536950900703427],["C2=Nc3ccccc3",-10.537153444286234],["C2(CCNCC2)",-10.53716834040425],["▁COc1ccc(-n2c",-10.537294516764875],[")cn1",-10.537317866060349],["c1cc(O)cc(",-10.537392777380898],["/C1=N\\",-10.537427068842169],["S(=O)(=O)N(C",-10.537497422335472],["CC(=O)N(C)C",-10.537553445120931],["[C@@](C)(O)C",-10.53767555903767],["▁Cc1cc(C(F)(F)F)",-10.5377511341896],["c(OC)cc1Cl",-10.537879697101404],["c(-c2ccco2)",-10.53793769027725],["C(=O)N(CC",-10.537954444995927],["NC(=O)C1CC1",-10.537967835420336],["O)c(=O)[nH]1",-10.53809749399457],["▁N#Cc1ccc(OC",-10.538156021154222],["c2cc(C(=O)NC",-10.538345266458837],["C(=O)C2=C",-10.53839970637491],["N3)",-10.53848883352141],["c1cnc[nH]1)",-10.538637381459171],["c(C(=O)OCC)",-10.538896831893418],["[C@H](N)C(=O)O",-10.538941354745983],["c3cc(Cl)",-10.538967934209582],["Cn1cc(C(=O)",-10.53905684277162],["C[C@H]2O",-10.5394830730655],["CN(Cc2ccccc2)CC1",-10.539523490635275],["c1ccccc1)N1C",-10.539837145905892],["C(=O)N1CCOCC1)",-10.539851408372742],["▁C[C@H]1O",-10.539861739617836],[")CS2",-10.539897399824085],["▁Cc1cc(Cl)ccc1OC",-10.540084551408135],[")SC",-10.54019282932703],["c3ccccc3)n2)c1",-10.54029503347743],["▁N=C1N",-10.540309506162496],["CC[C@@]12C",-10.540353642550084],["▁CCOC(=O)C(=O)N",-10.540393851606986],["[C@@H](NC(C)=O)",-10.54047355103415],["C[C@@H]1CO",-10.5404959934183],["▁Cc1c(-c2ccccc2)",-10.540593547597195],[")OCO5",-10.540618064127711],["[nH]c(=O)c2c1",-10.540807057982589],["Nc1ncnc2c1cnn2",-10.54087954810449],["▁COc1ccc2[nH]c",-10.54100008821376],["c1c[nH]nc1-",-10.541026564749606],["N[C@H](",-10.54113949553598],["▁C=CCC",-10.541178131864696],["=C(c1ccccc1)",-10.541277109341245],["▁CC(C)C[C@H](N)",-10.541324217526547],["C3CCCCO3)",-10.54141049700845],["C(=O)N(c1ccccc1)",-10.54164670277044],["▁COCCn1c(SC",-10.54187212600518],["c24)",-10.541952451974954],["O)C(=O)O",-10.542048522530337],["▁c1ccc2c(c1)CC",-10.54228619991376],["c2nc(-c3ccccn3)c",-10.542444607821118],["c2ccc(Cl)cn2)",-10.542471353988208],["▁Cc1cc(C)n(-c2n",-10.542573196516903],["▁CCNC(=O)Nc1nc2c",-10.542913228400757],["Cc2ccccc2)s1",-10.542983380866788],["c3c2CCCC3)cc1",-10.54321715532662],["C1CCC(=O)N1",-10.543371768210513],["▁Cn1cc(C(=O)N",-10.54344322573038],["c1cc(O)c(O)c(",-10.54352308579976],["CCc2ccccc2)C1",-10.543554440431988],["[nH]c2ccc(O)cc12",-10.54365333237733],[")NCc1ccc(Cl)cc1",-10.543714892055991],["n1)C2",-10.54372631401478],["C1CC(c2ccc",-10.543764974542388],["c2F)",-10.54393614471898],["nc1-c1cccs1",-10.544238407124151],["▁CCc1c(C)",-10.544340646556371],["Cc3c",-10.544389627750768],["ccc3[nH]2)",-10.544430892898292],["c2oc(-c3ccccc3)c",-10.544491028061287],["N(Cc2ccccc2)C1=O",-10.544559508090074],["n(C)c(=O)n2C)n1C",-10.544764471239136],["2)C",-10.544823505157089],["▁CCCCCCNC(=O)",-10.544846986806514],[")N1CCNCC1",-10.544943259491138],["c1cc(Cl)cc(",-10.54503436385125],["cc(=O)n(C)c1=O",-10.545096007283288],["▁Cc1ccc(NC(=O)CS",-10.54523791126478],["(/N=N/",-10.545289985576858],["C)s1",-10.545491169283022],["▁CN(C)[C@H]1C",-10.54551145068718],["c2nn(C)",-10.5458315681207],["c1ccc(-c2csc(N",-10.5458597106831],["[C@H]1[C@@H](O)",-10.54587291883452],["c3cc(O",-10.546001872971171],["c1ccc(Cl)cc1Cl)N",-10.546152227939384],["▁COc1cc(OC)c2c(",-10.546536227059732],["▁COc1cccc(/C=N/N",-10.546605391004505],["[C@H]3CC[C@@H]2",-10.546706388742422],["c(=O)[nH]c2",-10.546831972026643],["nc(/C=C/",-10.546972678766553],["▁COC(=O)c1[nH]",-10.547310294783042],["▁Cn1nccc1",-10.547383150185182],["▁O=C(c1ccncc1)",-10.547425674236411],["C2=O)c(OC)c1",-10.547736634850551],["▁Cc1nc2ccccc2n1C",-10.54779986478615],["CCNC(=O)N",-10.54799536920584],[")CCCCC3",-10.548022969518518],["c1ccc(/C=N/",-10.548057745116862],["NC(=S)N1",-10.548179930281474],["▁CC[C@@H](",-10.5482250636195],["c3ccncc3)CC2)",-10.54848381561423],["c2ccc(Cl)cc2)nc1",-10.549214954143492],["[nH]c2n1",-10.549313675114142],["C2=O)n1",-10.54935171336965],["▁Cc1cc(C(=O)O)",-10.54945159635319],["▁O=C1c2cccc3c",-10.549611036572212],[")cc(OC)c1",-10.549783808426511],["[C@H](O)/C=C/",-10.550001280900291],["▁C=C1C(=O)",-10.55000912991359],["C2CC(=O)",-10.55008538528083],["C2=O)cc(OC)c1OC",-10.550111282126402],["▁Cn1c(=O)c2c(",-10.550112236025328],["CCC[C@H]1",-10.550124020044771],["C1CCN(c2cc",-10.550347325179938],["c1cnn(C",-10.550390905855696],["▁CC(C)=CCC",-10.550504831296966],["▁Cc1ccc2cc(",-10.550697127380015],["c2cc(O)cc(O)c2)",-10.550700491631966],["C2)ccn1",-10.55086012101437],["C(=O)CCC(=O)N",-10.550901873342257],["▁O=c1c2c",-10.550996285217977],["c1cccc(C)n1",-10.551048285229648],["sc1C(=O)O",-10.551115013976467],["c(C#N)c2",-10.551262251961838],["(C(=O)O)ccc2nc1-",-10.551407495870183],["Cc2ccccc2C1",-10.551548016132896],["[C@@H]3CCC4=C",-10.551737196266892],["C2=CC",-10.551817943169816],["Cc2ccccn2)cc1",-10.551930831948484],["▁CN1CCC2(CC1)",-10.552120703254095],["▁CC(C)CC1",-10.55225465270313],["▁COc1ccc2c(c1)C(",-10.552263204033972],["▁CC(O)(",-10.552341166140854],["c1ccc(F)c(F)c1F",-10.552591824553296],["▁CN(CCc1ccccc1)",-10.55260149198335],["C(=O)NCc2ccc",-10.552839825684668],["C(=O)N/N=C/c2cc",-10.552868860989287],["c(-c4ccccc4)c3",-10.552882103138677],["c2O)c1",-10.553177486705438],["/C=C2\\C(=O)N",-10.553527261535832],["[C@@H](O)[C@H]2O",-10.55383784595502],["▁Oc1cc2c(cc1O)",-10.553839744032295],["c1ccccc1)c1cc",-10.553895283856836],["C1CCCO1",-10.553898266648854],["c2cn(Cc3ccccc3)",-10.554104820413944],["c(-n3cccc3)",-10.55416345246156],["▁N#Cc1ccc(NC(=O)",-10.554282049966776],["▁O=C(CN1CCN(C",-10.554331290987008],["▁CCOC(=O)N1CCC(",-10.554559983065682],["c3ccccc3C(=O)O)",-10.554684732117735],["▁C=C1C(",-10.554718361636358],["▁C[Si](C)(C)",-10.55472949912445],["[C@H](C)N)",-10.554871927328502],["c2ccc(NS(=O)(=O)",-10.554917835891292],["n1c(-c2ccc",-10.555018386076338],["▁Cc1ccc2",-10.555080814850331],["▁Cc1ccccc1CN",-10.555152576268227],["▁CN1CCN(c2n",-10.555218422081689],[")C(=O)C",-10.555231092515337],["▁CCOC(=O)CO",-10.55533607105778],["▁COc1ccc(CO",-10.555458675726443],["Cn1cccn1)",-10.555661879965172],["▁CC(=O)[C@H]1C",-10.555742463460358],["c3)c2cc1OC",-10.555760895873822],["▁CCCN(CCC)C1CC",-10.556173830633604],["CN2CCCC2",-10.55626764390015],["oc(-",-10.556274235091411],["n3)cc2)cc1",-10.556330415761794],["[C@@H]2CN",-10.556430209865177],["c1c2c(n",-10.556850246138133],["CO3)",-10.557068834858551],["c3)nc2c1",-10.557148224909248],["N3CCOCC3)c",-10.557174445239305],["[C@@H]1N",-10.5571885689242],["CC[C@]4(C)[C@H]3",-10.557286058018926],["2)nc1",-10.557413967248763],["▁O=C(NN",-10.557577024560429],["4c(c3)OCCO4)",-10.5575929743887],["▁N#Cc1ccc(C(=O)N",-10.55778250480222],["N(C(=O)CCl)",-10.557888742029212],["c3c(F)cccc3Cl)",-10.557938124529144],["c1ccc(CO",-10.557984995958815],["c3ccccc23)C1",-10.558275408630523],["C1CCN(c2nc",-10.55840092889649],["c2Cl)cc1",-10.558496570921164],["▁CCCCCCC(C)(C)",-10.558654682116716],["C2)c(OC)c1",-10.558689458305098],["C[C@@](C)(",-10.558763116972171],["-]",-10.558785410265228],["▁Cc1cc(=O)[nH]",-10.55888158289994],["▁CCCCN(C(=O)",-10.55896873977938],["(C(=O)N2CCOCC2)",-10.559056132407887],["C2(c3ccccc3)",-10.559194520257597],["2)c(=O)[nH]c1=O",-10.559216523734232],["c1nnnn1-",-10.55928708117072],["▁Cl.O=C(C",-10.559353225095752],["C(CCO)C2)",-10.559463189816436],["/N=C/c1c",-10.55964910149908],["c3ccccc3)ncc12",-10.559990672655012],["CCC12C",-10.560040154606693],["▁COC(=O)C1C",-10.560241330666418],["N2)c1",-10.560420698957884],["(C(=O)O)N2C(=O)",-10.560431354753176],["2CCCC(",-10.560528483437992],["▁Cn1nc(-c2ccc",-10.56063275411134],["▁C=CCN1C",-10.56074687738442],["ccc4ccccc4n3)C2)",-10.56077472152958],["c2c(c1)O/C(=C\\",-10.560959680654808],["▁CCOc1ccccc1CN",-10.560982252099038],["c2ccccc2-3)cc1",-10.56108158463803],[")cc2)cc1",-10.561286220224972],["CCCn3ccnc3)",-10.561372709526342],["c1ccc(F)cc1)C2",-10.56143288866291],["c1c2c(c",-10.561449969092967],["▁N#Cc1c(",-10.56145683796796],["O)c(C(C)(C)C)c2)",-10.561694299495038],["c2ccc(Br)cc12",-10.561859298977962],["cc1-c1ccc(",-10.562036610088615],["▁Fc1ccc(CN",-10.5624908194989],["N(c1ccccc1)",-10.56251639891958],["N(c2c(F)cc3c(=O)",-10.562516674007208],["c2cccnc2Cl)",-10.562576070138316],["(Cc1ccccc1)",-10.562887347842086],[")c1nccs1",-10.562909867030662],["c4c(c3",-10.563121689346993],["c(Cl)c2c1",-10.56357395754584],["/C1=N\\O",-10.563697804442656],["=C1N",-10.563757445483915],["c2cccc(C)n2)",-10.563800541909917],["n1cc(C(=O)O)c",-10.56386920744946],["[C@H](C(=O)NO)",-10.563985960660212],["n(C)c2n1",-10.56406740697495],["C[C@@](O)(",-10.564322080146155],["NCC3",-10.56436113148288],["c3cccnc3)CC2)",-10.564382270756315],["▁N=C(N)SC",-10.564790282861368],["S(=O)(=O)/C=C/",-10.564932613409129],["▁CCC(NC(=O)",-10.565213763819198],["▁CCOC(=O)c1c(-",-10.565315178148907],["N2CCC(NC(=O)",-10.56551029032487],["c1cc(C)c",-10.565581238104318],["▁CC1(C)CC(NC(=O)",-10.56563046446303],["c2c(=O)[nH]1",-10.565637503428167],["▁COc1ccc2sc(",-10.565699337659591],["cnn1-c1ccccc1",-10.56595095825681],["C3=NCCN3)",-10.565977699855775],["▁CCc1nn(C",-10.566275009270434],["(C4)C2)C3)CC1",-10.56639877903094],["▁Cl.Cl.",-10.566524145389202],["F)cc1",-10.56667247580666],["▁COc1ccc(-c2nc(",-10.56672824154512],["[C@@H](O)[C@H]2",-10.567027711764307],["(CN2CCCCC2)",-10.567329148835606],["(C(=N)N)",-10.567368458144587],["c4ccccc4)cc3",-10.567400492895512],["C[n+]1ccc(",-10.567405825448194],["c2c(Cl)cccc12",-10.567514823442352],["[C@@H]1C[C@@H](",-10.567580382773151],["▁CCN(CC)CCCC(C)N",-10.567861513160976],["C2=NS(=O)(=O)",-10.5678637684759],["[C@H](C#N)",-10.568020549061885],["N2Cc3ccccc3",-10.56824634710933],["/[N+]([O-])=C/",-10.568392320822706],["C/C=C(\\C)CC",-10.568519688000933],["c2)[nH]1",-10.56854954414991],["c2ccc(N3CCCC3)",-10.568580619786236],["C(F)(F)F)cn1",-10.568746161150475],["▁O=C1NC(=O)N(",-10.568815896525557],["▁CCCCCCCCN",-10.568883783158793],["C(=O)C(C)(C)",-10.568996675862962],["C1CCCN1S(=O)(=O)",-10.569064162881013],["▁Cc1cc(C)n(-c2cc",-10.569160066494897],["c3[nH]cnc3",-10.569402148193184],["C1CCOCC1)",-10.569510153684355],["c(F)c21",-10.5695150646145],["c(=O)c1C",-10.569668600021355],["c3ccccc23)cc1OC",-10.569914525732122],["c1cc(F)ccc1O",-10.569926262084334],["C#Cc1ccc(",-10.569986794056389],["c2ccc(Br)cc2)n1",-10.570088629370131],["▁COCCN1C(=O)",-10.570352843875504],["c3ccc[nH]3)",-10.570390753113324],["N[C@H](C(=O)O)C",-10.570522794846724],["C2CN",-10.571270053717708],[")NC1CCCCCC1",-10.571462127294216],["▁OC[C@H]1O[C@H](",-10.571678232394122],["C1CCCc2ccccc21",-10.571724986367109],["▁Cc1ccc2nc(-",-10.571788121381411],["▁C[C@H](N)",-10.571797673126948],["CNCCO",-10.571906519265829],["▁O=C(NNC(=S)N",-10.571926426853809],["c1ccc(-c2nc",-10.572098186851791],["▁NC(=O)c1ccsc1N",-10.572163932467056],["n3c2",-10.572296394987749],["[C@@]2(C)CCC",-10.572410306610134],["3)o2)cc1",-10.572567978087346],["▁O=C(NC12CC",-10.572730590889034],["C(Cl)(Cl)Cl)",-10.57274716925065],["cc(N2CC",-10.572911797674452],["N2C(=O)C3C4C=CC(",-10.57301182322622],["C1=O)C2(C)C",-10.57303850896162],["c(-c3ccccc3)c2",-10.573179960904191],["3c4cc",-10.573232490453028],["c1cc(CO",-10.573315121792282],["c2cc(Cl)ccc2N1",-10.573638436744634],["c4ccccc4)cc3)",-10.57368400408325],["c1ccccc1n2C",-10.573810099321744],["/C=C\\CCCCCCC",-10.573831636770397],["N2CCN(C)CC2)c1",-10.573976572212324],["cn2c1C",-10.574407111189124],["[nH]c23)",-10.574563942842948],["c1ccoc1)",-10.574568374254374],["▁CC(=O)/C=C/",-10.574804806548986],["nc(Nc2ccccc2)n1",-10.574947006523844],["C(F)(F)F)nc1",-10.57505750809377],["c1cc3c(cc1",-10.575300045902427],["c3nccnc3",-10.575553633649935],["Nc1c2ccccc2n",-10.57559684552758],["c1cc(C(=O)O)",-10.575599670767136],["F)c",-10.575959534244332],["(-c3ccc(Cl)cc3)",-10.576309396162031],["C(=O)NCC1CCCO1",-10.576418205199252],["▁c1ccc2c(C",-10.57656854236647],["O[C@@H]1C",-10.576735647098744],["[C@H](CN)",-10.576986186069728],["▁COc1cccc(O",-10.577061245458058],["n(C4CC4)c3c2F)",-10.57715597063276],["CCN1CCCC1)",-10.577158475050446],["c1nc2c(cnn2C",-10.577182327779123],["c(-c2ccc(",-10.577240907135188],["/N=c1\\s",-10.577361235692525],["Nc3ccccc3)",-10.577541088746187],["2)nn1",-10.577793819427798],["oc1N",-10.57793768897787],["c3cccc(C)n3)",-10.578013846770322],["C1CCCCO1",-10.578102586333111],["CC[C@@]21C",-10.578269925527042],["cc2)n",-10.57839701415045],["(I)",-10.57856947418368],["CC2)OC1=O",-10.578830192079163],["c1cc(-c2ccccc2)c",-10.578895921971451],["▁COC1(",-10.578992609155716],["c(Cl)cc2",-10.579004216524051],["▁Cc1ccccc1O",-10.57901816496228],["CC(C)(",-10.579106535055791],["Sc1ccc(",-10.57912389849196],["C(=O)CCc1ccccc1",-10.579313665071034],["c3ccccc3)o2)cc1",-10.57952768766688],["▁CCCCCOC(=O)",-10.579624656801183],["▁Cc1nonc1",-10.57981953846956],["CN1C(=O)c2cccc3c",-10.579942738108665],["Cn1cc(C",-10.58013775342219],["[C@H](C(=O)N",-10.580191551453543],["2c1[nH]c1ccccc12",-10.58030414107976],["C(NS(=O)(=O)",-10.58030913733425],["c2ccc3nc",-10.580488477244572],["[n+]2[O-])cc1",-10.580866403883402],["CC)cc1",-10.58091958658111],["c3cnn(C",-10.58170298063649],["[C@@H](CO",-10.581747348286257],["(Cn2ccnc2)",-10.581929748464528],["▁O=C(NCCCn1ccnc1",-10.58215585851024],["c1csc(N",-10.582265493090222],["c1cc(O)c(O)cc1",-10.58235706985744],["(C(=O)[O-])",-10.582368433038187],["CCCN(C)C",-10.582595570361914],["CC2CCC1N2C",-10.582675538433188],[")C(=O)CO2",-10.58276121546908],["C(=O)N[C@H]1C",-10.583187500239283],["c1ccc2nc(-",-10.58320060994],["c3ccc(O",-10.583269817607622],["1(c2ccccc2)CCCC1",-10.583321336127792],["▁Nc1ccc",-10.583801842769804],[")=N",-10.58406259547112],["/N=C(/",-10.584344655585358],["C(C)=C1",-10.584394463452115],["CC[C@H]12",-10.584738537752669],["▁CSCCC(NC(=O)",-10.584783475791],["▁C[C@@]12CCC",-10.584921390974618],["nc1C#N",-10.585061105070624],["▁CN(C)c1n",-10.585133345194723],["▁O=C(c1ccco1)N1C",-10.58519223146018],["c1ccccc1C#N",-10.585236195084908],["n2-",-10.585255332394327],["Cc1nc(C",-10.5853216490734],["▁COc1ccc2o",-10.58548708984255],["▁Cc1cc(-c2cc",-10.585637356642778],["▁C[C@H](N)C(=O)N",-10.5856661093359],["C(=O)CC(=O)/C=C/",-10.585733655469664],["c3cccn3",-10.585769601007634],["▁CC(C)n1nc(",-10.585773120220823],["[N+](=O)[O-])c3)",-10.585841631703577],["SC(=S)N",-10.58585196602611],["▁Clc1cccc(-",-10.58604824145364],["CCN2CCCC2)",-10.586110787706218],["c(-c3ccccc3)c12",-10.586428048058565],["(-c3ccccc3)nc2c1",-10.586466692878057],["▁COCO",-10.586583190651558],["c(/C=C/C(=O)NO)c",-10.586831604025292],["C1=C(C(=O)",-10.58724514126764],["▁c1ccc2sc(",-10.587404890228454],["c1ccc(C(=O)/C=C/",-10.587530759568445],["C(=O)c3cc",-10.587771732021077],["▁COc1cc(-c2cc",-10.587998053488288],["▁Cl.N=C(N)",-10.588115182357772],["▁Clc1cccc(C",-10.588181963784896],["=C(C(=O)O)",-10.588283178854038],["n1[nH]c(=O)",-10.588427991138357],["c1cccc2cccnc12)",-10.58851654836025],["c(C(=O)N3CCOCC3)",-10.588532483704745],["/C=C(/C#N)",-10.588572157846157],["CN(Cc3ccccc3)",-10.588671524539013],["▁Oc1ccc(-c2cc",-10.58883277255346],["▁O=C1C2=C(",-10.589009254100883],["CCC21",-10.589101306861735],["c1cc(OC",-10.589102810816474],["C(c2ccccc2)N1",-10.589104293791786],["s/c(=N\\",-10.589168905656551],["c1ccc2nccnc2c1",-10.589338100660562],["NC(=O)Cc1ccccc1",-10.589509566267548],["c3nncn3",-10.58987100876172],["C(=O)[C@@]3(C)CC",-10.58994735966064],["c(-c3cnn(C)c3)",-10.590031798247791],[")c1c(F)cccc1F",-10.590068806568734],["c(OC)cc1",-10.590182111044518],["C(=O)NC3CCCC3)",-10.59018233962212],["cc2c1C",-10.590207945359737],["C(c2ccco2)",-10.59028528915271],["[C@]32",-10.590616834716826],["C3)C2)cc1",-10.590783066809848],["▁COc1ccc2c(c1)OC",-10.591039554354271],["c(F)c2)n1",-10.59108375978484],["C2CCOC2)",-10.591285722045509],["▁CN(C)[C@@H]1C",-10.591367427256063],["▁CC(C)=CCc1c(O)c",-10.591581579408349],["nn(C)c2",-10.59161379791576],["C(C)=CCC/C(C)=C/",-10.59183781556058],["(N3CCOCC3)",-10.592268384901123],["c(-c3cn[nH]c3)",-10.592299514577082],["CC2C1",-10.59270763641124],["▁COC(=O)c1sccc1",-10.592757593810664],["c2cc(C(F)(F)F)",-10.592927284191866],["NC1CCS(=O)(=O)C1",-10.592963631227985],["cc2OC)",-10.593034824063295],["▁c1ccc(CCN",-10.593038729747024],["c(S(=O)(=O)N2CCC",-10.59309874550721],["Cn1nnc(",-10.59321168926835],["cc23)ccn1",-10.593483431417685],["c2cccc(OC)c2)cc1",-10.593947496851053],["[C@@H](CC[C@H]4C",-10.594094104012594],["Cl)c(C(F)(F)F)c1",-10.594097496367096],["c2cc(/C=C/",-10.59413781563172],["Cc2ccccc2Cl)",-10.594182590784548],["nn(-c2ccccc2)c1",-10.594311142475036],["▁CC1(C",-10.594436686786786],["/C(=C/C=C/",-10.594510787920646],["▁N/C(=N\\O)",-10.594548926941236],["(=O)c3ccco3)CC2)",-10.5946024638655],["C=C(CO)",-10.594752204514975],["c1nc2c(s1)",-10.594808570711365],["[C@]1(C",-10.594901860206788],["c1cccc(Nc2nc",-10.594920404988317],["n2C)CC1",-10.594925705029668],["c1c(C)[nH]c(C)c1",-10.595336174932315],["c(Cl)cc3",-10.5954030613406],["c2nc(N)nc(N)c2c1",-10.595475404940167],["▁CCCCCCCO",-10.595838928359356],["▁O=C1NC(=O)C(=C",-10.596356322126905],["C[C@@H](C#N)",-10.596413895910658],[")C2=O)cc1",-10.596428837617598],["2CCN(C)CC2)",-10.596664318857345],["▁CCCCN(CC)",-10.596736016407448],["NC(=O)c1ccccc1F",-10.596758301171937],["NC(=O)C2C",-10.596855074424164],["c2ccc(NC(=O)c3cc",-10.59710432414514],["n4cc",-10.597252103461845],["n1nnc(-",-10.597799079699742],["c1nc(C)n",-10.598115786132087],["c3ccc(F)cc3Cl)",-10.598200710792112],["(NCCO)",-10.59839476113749],["c(S(N)(=O)=O)c2)",-10.59844077340297],["▁COc1ccc(Cn2c",-10.598765996576876],["2)c2ccccc21",-10.598883179681147],["Nc1ccc(F)c(Cl)c1",-10.598894996724583],["c1ccc(-c2nc3cc",-10.598970378317212],["(O)[C@H]2O)n1",-10.599094149986744],["C[C@H]3[C@@H]1CC",-10.599112433524544],["c2ccccc2)C(=O)O1",-10.59927066628754],["c(N(C)C)n",-10.59949155012026],[".O=",-10.599539068905525],["3)nc2c1",-10.599541836218824],["NC(=O)/C(=C/",-10.599593561172329],["▁Nc1nc(O)c2ncn(C",-10.599817155897266],["C[C@@H](C)N1",-10.599907963286578],["N2CCC(N",-10.600095864270848],["[C@@]3(C)C",-10.600475710074068],["c1cccc(F)c1F",-10.600649015318444],["c4ccc(OC)cc4",-10.600670775669634],["c2sc3c(c2c(=O)n1",-10.60074754898071],["c2ccc(F)cc2)C1=O",-10.60095362448013],["c1ccccc1)c1c",-10.601027063373326],["c1ccc2ncnc(N",-10.601277417561509],["c4cc(Cl)ccc4",-10.601354800827664],["c1ccc(-c2[nH]",-10.60153661223925],["c1ncc(C",-10.601593440406225],["▁CCc1ccc2c(c1)",-10.601645273290565],["C2)c(C)c1",-10.60166284037788],["C[C@H]2[C@@H]3C",-10.60182454941827],["[n+]1ccccc1",-10.60185129475597],["(CC#N)",-10.601895434796944],["▁O=C1CC(c2ccccc2",-10.60203645435259],["c(F)c2)C(=O)O1",-10.602051305635646],["-c1ccnc(N",-10.602187632286432],["2c(c(OC)c1OC)",-10.602415475173103],["CCC(C)(C)",-10.602457101162477],["c3c2CCCC3)",-10.602569973619666],["c3ccccc23)o1",-10.602761844727024],["c3ccc(C)cc3C)",-10.60276220543786],["▁Cn1c(C(=O)N",-10.602802235091026],["▁CCN1c2ncccc2",-10.602852094003826],["c(N)nc3",-10.603215296900132],["2c3c(sc2n1)CCCC3",-10.603267245829642],["▁CCc1cc(NC",-10.603366427606671],["▁C/C=C/C=C/",-10.603489109535085],["c(OC(F)F)c",-10.60359856666172],["▁COc1cc2c(cc1O)C",-10.603926048264997],["N2CCN(c3ccccn3)C",-10.60407110623778],["-c2ccc(F)cc2)",-10.604139956348718],["▁Cc1cccc(-c2noc(",-10.60451631453106],["COc1ccc(F)cc1",-10.604538859207434],["/N=N\\",-10.604628616048664],["N1CCCc2ccccc21",-10.604664984823582],["CC1C(=O)NCCN1C",-10.604772673630606],["oc2cc(O)cc(O)c",-10.604853578567813],["c1nonc1",-10.605036204767297],["▁Cc1ccc2oc(=O)",-10.60548160126346],["▁CNC(=S)N",-10.605486169182004],["▁O=C(CN1CC",-10.605729250484424],["ncn3",-10.60592686571592],["c2ccc(-c3ccncc3)",-10.605940435862191],["CC/N=C(\\N)N",-10.60601955732088],["C=C(C=O)",-10.606038390908406],["N1CCC2(CC",-10.606306509047744],["▁N#Cc1c(N)",-10.606307220760073],["CCCCC2",-10.606435475254592],["ncc2",-10.60653775645147],["cc2[n+]1[O-]",-10.6066938236017],["c1cccc2cc[nH]c12",-10.606721086223368],["▁CC(C)(C)c1n",-10.607089051687332],["N2C(=N",-10.607551206820055],["3O[C@@]4(C)CC[C@",-10.607757198435865],["N=C(c3ccccc3)",-10.607794538727362],["C)c1C",-10.607877125038751],["c2oc3ccccc3c2",-10.608019462047023],["c1ccc(O)cc1)N",-10.608103804769778],["C(=O)N(c3ccccc3)",-10.608104765716323],["▁CC1=C2C",-10.608148355993409],["c2c(N)",-10.608345558955758],["Nc2ccccc21",-10.608504230768038],["c(/C=N/NC(=O)",-10.60854110247971],[")C1CCCO1",-10.608713327638169],["NC(=O)c2cccs2)",-10.609299373354032],["[C@]13",-10.609323196942132],["OC2=O)",-10.609379165548466],["c1cc(Br)ccc1",-10.609388630022806],["cc(/C=C/",-10.609585512682708],["c2oc3c",-10.609781036157129],["(Cl)c(Cl)c3)",-10.609810911599949],["cc32)",-10.609922808844209],["(Cc4ccccc4)",-10.609953100762194],["nc(-c2ccccn2)n1",-10.610095325873376],["N)c(Cl)cc1C(=O)N",-10.61024008249505],["c(=O)n(CC(=O)N",-10.610279652242912],["c1ccc(Br)cc1F",-10.610364498418376],["C/C(=C\\",-10.610453758379148],["▁CCCCn1",-10.61056106260553],["▁Cc1c(C(C)",-10.610576213105592],["C(=O)c1ccc(OC",-10.610824865915628],["▁Cc1cc(N)",-10.611064185578648],["▁Cn1nnnc1SC",-10.611541200707071],["c2ccccn12",-10.611809431355798],["▁CC(C)[C@H](",-10.611848744802336],["c(N4CCOCC4)cc3)",-10.611953213745386],[")c1ccc(Br)o1",-10.612003334417146],["(C3CCCCC3)",-10.612083452959508],["2)N1",-10.61210250104573],["sc2c1CCCCC2",-10.612201439933216],["C1=NCC",-10.612294170394977],["N2CCOCC2)C1",-10.61255026462923],["▁Br.CC",-10.612604347480897],["▁O=C(CNS(=O)(=O)",-10.612688558124765],["CN2CCCCC2)cc1",-10.613198152912084],["C(=N)NOC(=O)",-10.613467079364172],["C(C)(C)CCC1",-10.613524509460175],["▁CCCCC(",-10.613709514691571],["c1cc(OC)ccc1",-10.613801857069522],["Cn1c(=O)n(C",-10.613893462058252],["Cc3ccccc3)CC2)c1",-10.6139782799656],["OCC(O)CNC(C)C)",-10.61432964310996],["▁C[N+]1(C)",-10.614452234214117],["c1cccc(F)c1)N",-10.61447172839394],["C(=O)c1cc(CO",-10.614619859269736],["nc3ccccc23)CC1",-10.614722089002855],["nc(O)c2ccccc2n1",-10.61481708484768],["c(C(F)(F)F)ccc1",-10.614926188181538],["C(=O)c1ccncc1",-10.614935886437411],["c1ncn2c1",-10.61498614372023],["c2cc3ccccc3nc2",-10.615182237501848],["[C@H]3C[C@H](",-10.615691487179234],["c2cccc(C)c2",-10.615983604033207],["c2c(c1C)",-10.616075388275892],["[C@H]1CN(C",-10.616156290560832],["C3=CC(=O)",-10.616298557270971],["▁CN1CCN(c2ccc(",-10.616320174330593],["c4ccccc4)ncnc32)",-10.61656147421244],["c2ccc(C)cc2)C1",-10.616637396451129],["▁Cc1nn(C)c(",-10.61669089749277],["c2c3c(c(=O)oc2c1",-10.616762051942032],["c1cc(OC)cc(OC)c1",-10.616926060420845],["C1=N2",-10.617064894292849],["▁COc1ccc(C2=C(",-10.617195363604726],["c(S(=O)(=O)NC",-10.617338935252926],["▁O=C([C@@H]1C",-10.617412160407673],["n1nnc2ccccc2c1=O",-10.617581996426113],["c3ccc(Cl)cn3)",-10.617981696639417],["cc2)ccn1",-10.618227335528395],["▁COC(=O)C(C)",-10.61876022903686],["(C)ccc2/C(=N/O)N",-10.618872372522135],["c(N)c(C#N)",-10.61896611402988],["▁CN(C)C(=O)O",-10.61899819377506],["CN(Cc2ccccc2)C",-10.619050428367029],[")Nc1ccc(F)cc1F",-10.619129894364889],["[C@@H]3CC[C@H]4C",-10.619308163945911],["▁Cc1n[nH]c2c1C(",-10.619479960091343],[")c1ccsc1",-10.619502113525767],["CC(=O)C2=C(C1)N",-10.619619657470729],["2CNC[C@@H](C2)C1",-10.619630631084298],["c2cc3c(cc12)OCO3",-10.619674047847344],["c1ccc(O)cc1O)",-10.619684453802954],["C(CN1CCOCC1)",-10.619687255185704],["▁O=C1CCCN1",-10.619865053955431],["CCCCCCC(=O)O",-10.619867624312953],["▁COc1cccc(-c2nc(",-10.62002885260518],["CCc2ccc(O)cc2)",-10.62018257774671],["c(Cl)cc1",-10.62018676485344],["NC(=O)C2CC(=O)N(",-10.620250288539305],["nc(N2CC",-10.62027830164634],["[C@H]2C=C",-10.620322748262788],["c(/N=N/",-10.620369727992944],["c1nc2ccc(F)cc2s1",-10.620396295279807],["▁O=C(Oc1ccccc1)",-10.620478151002356],["▁OCc1c",-10.620590335760788],["▁CC(C)C[C@H](",-10.620649083596897],["Oc2ccccc2)",-10.620876548058924],["▁Cc1noc(C)c1Cn1c",-10.620997062694071],["c(-c4cccnc4)",-10.621069047965406],["c1c(Cl)c(Cl)",-10.621220774283316],["c2c(c1=O)",-10.621223438657296],["c1cccc(C(C)C)c1N",-10.621227180175886],["Cc1nc(N2CCOCC2)c",-10.621233350913236],["[nH]2)n1",-10.62161592820702],["cn2)cn1",-10.621797225053662],["▁COc1nc(",-10.621862953263888],["▁CC1CCC",-10.622366051410324],["nn(-c3ccccc3)cc2",-10.622398357596552],["nc(N3CCOCC3)n2)",-10.622580757195388],["nc(C(C)(C)C)",-10.622644884857335],["[C@H]1NC(C)=O",-10.622788426932338],["c3ccsc3",-10.62286000562951],["n(C(C)(C)C)",-10.62302572296924],["Oc3ccccc3",-10.623093888659591],["C(Cn1ccnc1)",-10.623196029810472],["c1ccc2oc",-10.623236533281114],["▁CO[C@@H]1C",-10.623279719994322],["c1ccc(/C=N/N",-10.623441798615907],["▁CC[C@@]1(O)",-10.62354483477542],["C(O)C(O)",-10.623750677038108],["nc(NC(C)C)",-10.623781570348182],[")nc12",-10.623816310516888],["▁Nc1ncnc2c1ncn2C",-10.624003285243637],["▁O=C1CN(C(=O)",-10.624025106825693],["(N2CCNCC2)",-10.624168609116108],["c1cccc2[nH]",-10.624218745950497],["Cc2ccco2)c1",-10.624240036657724],["c1c(C)n(C)",-10.62442355631503],["C/C=C(\\C)CCC=",-10.624498976466011],[")c(=O)",-10.62459258047069],["oc3ccccc3c2=O)",-10.625169682282074],["[C@H](CC)",-10.625344850153404],["▁COc1cccc(-c2cc(",-10.625552252244992],["▁CC1CC(",-10.625763540719465],["c(O)c(OC)",-10.625789135298106],["H]",-10.625919366359444],["c3)c2c1",-10.626014083236631],["▁CCCN(CCC)C1C",-10.626021126210144],["(N3CCN(C)CC3)",-10.626099864323416],["nc2c1ncn2C",-10.626267036052363],["nc(-c2ccccc2)",-10.62665957674264],["▁CSc1nc(N",-10.626748641278006],["▁CC(=O)c1sc(N",-10.627029516698537],["▁CCOP(=O)(C",-10.627199750871467],["▁O=C(COC(=O)c1cc",-10.627412869318542],["c3ccc(-c4cc",-10.627431980127724],["C1CCN(C(=O)N",-10.627481595619898],["N(Cc1cccs1)",-10.627675105506569],["N1C(=O)[C@@H]2",-10.627805227751375],["[C@H]1C[C@H](",-10.627848775242189],["c2ccc(C)cc2)n1",-10.628093878480144],["▁CN1CCN(C2=N",-10.628147840153945],["n(-c3cc",-10.628192320745482],["N2CCC3(CC",-10.628492765901225],[")c1cc(Cl)ccc1O",-10.628795663459533],["c3c(c2)OCO3)CC1",-10.628894082250422],["CCCl",-10.628972212996068],["C(C)(C)C)n1",-10.629044567153828],["▁O=C(NC1CCCCCC1)",-10.62910166502576],["Nc1ncnc2c1",-10.629197342906693],["c1c(C)noc1C",-10.629490455313558],["on3)",-10.629503641707036],["C(COC",-10.629858052808764],["▁COc1ccc2c(c1)O",-10.629899318310548],["c2cc(Cl)ccc2n1",-10.63001132350376],["[C@H](C)O",-10.630074925012236],["c2c(Cl)",-10.63013336510484],["Nc1ncc",-10.630137105354828],["c3ccc(F)cn3)",-10.630174367758231],["C(Cc1ccc(O)cc1)",-10.6302002030882],["N=C(c1ccccc1)",-10.630355914246111],["c2cc(-c3n",-10.630491715767745],["C1=C(O)C",-10.63061890819419],["C(=O)C=C2",-10.630852815810078],["▁S=C(",-10.631194946519052],["c3nccn3",-10.631229269873492],["c1ccccn1)C2",-10.63131043296325],["[C@H]3CC[C@H](",-10.631367535905444],["▁CC(C)C(=O)",-10.63138994097519],["c2CC1",-10.631667669646244],["(C(=O)Nc2ccccc2)",-10.631892165015266],["c1cc(Cl)ccc1N",-10.63235880462862],["C(=O)N[C@H]1CC",-10.632387322484762],["3)ccc2c1",-10.632393294307786],["▁NC(C(=O)O)",-10.632745290143124],["C(=C(C)C)",-10.63316487412806],["c(OC(F)(F)F)c2)",-10.633186465023334],[")NC(=O)c1ccccc1",-10.633237172152018],["c(SC)n",-10.633338665914152],["▁COc1ccccc1-n1c",-10.633346192407403],["▁Nc1c(C(=O)",-10.633409601724392],["▁[O-]",-10.633456914547164],["c1ccc2c(c1O)",-10.633637068879572],["[N+](=O)[O-])N",-10.63370291452169],["/C(=C1/",-10.633949183645548],["[S+]",-10.633975095486123],["[C@H]1N",-10.63431159090092],["c(/C=C/C(=O)",-10.6344892422972],["OCC)",-10.634590577166785],["[C@H](O)[C@@H]2O",-10.634741298855566],["▁CN1CCc2c(",-10.634912764838283],["▁CCC1(CC)",-10.63496168762306],["▁c1cncc(C",-10.63498775231444],["N3CCN(C",-10.635193985223289],["c3ccccc3)c2n1",-10.635506928373273],["c1ccc(C)s1",-10.63568778642109],["[C@@H](CO)N",-10.635712904178009],["c2ccc(SC)cc2)",-10.63571956259331],["C(=O)O2",-10.635724087066327],["▁CCN(c1ccccc1)",-10.635895725845456],["▁CCc1cccc(C)c1N",-10.635987228140223],["▁CC1(C)C(=O)",-10.636211241436762],["C)c2c1",-10.6362437869436],["[C@@]21",-10.636285047523527],["ccc2C1=O",-10.636427662894093],["▁Cn1c(=O)c(",-10.636525118644002],["c1ccc2oc(",-10.636543361088004],["cn23)c1",-10.636639851072797],["OCC(O)CN",-10.636706852922233],["▁Nc1nc(OC",-10.636720708395346],["/C",-10.636757225024606],["▁O=C(O)c1cccc(N",-10.636846448063226],[")C1CCNCC1",-10.637175106529549],["▁CCCCNc1",-10.637225504947535],["[C@@H]5",-10.637504742942172],["C(=O)NCc1ccccn1",-10.637798958761064],["c3)cc21",-10.63784517974457],["NC(=O)C1",-10.638453135761695],["C)c(OC)c1",-10.63848460025296],["▁CCCc1cc(O)nc(SC",-10.638555414345351],["P(=O)(c1ccccc1)",-10.638580487590296],["n(C)c1",-10.63870481916182],["▁CC[C@@H](N",-10.638735552301096],["/C=C(C)/C=C/",-10.638750837933404],["C=C(C)C",-10.6388027556334],["c2cccs2)C1",-10.638808209741748],["C(=O)N1CCCCCC1",-10.638863886389412],["N1CCNCC1)",-10.638870101274938],["NC(=O)c2ccco2)c1",-10.638936541551896],["C(N)=S",-10.63900188416362],["C(C)(C)c2ccccc21",-10.63906765667192],["▁COC1",-10.63907700044259],["(Sc2ccccc2)",-10.63913905395862],["c2c[nH]cn2)",-10.639234984958955],["c1c(Br)c",-10.639375022391658],["c2cc(C(C)(C)C)c(",-10.639592548289604],["c2c3ccccc3c",-10.63970177949408],["C1CNC1",-10.639762958014677],["Cn1n",-10.640044368868525],["N1CCN=C1SC",-10.640235367794457],["2c(nc3ccccc13)",-10.640368975013434],["c3ccccc3)CC2)O1",-10.640795785006665],["C1(CCCC1)",-10.640913605531978],["c1C2=O",-10.64096537011931],["c1nc(-c2cccs2)",-10.641002173667342],["[C@H]1CC2",-10.641105612765887],["c1ccc2ncnc(Nc3cc",-10.641143545392731],["▁Clc1ccccc1-",-10.64123722685384],["c2c(=O)c3ccccc3",-10.641333735837812],["▁N=C(N)NC",-10.641557245814049],["Cn1cncn1",-10.641668329029963],["▁CCOC(=O)c1cccc(",-10.641835788244896],["C(=O)c3ccccc3",-10.641922043029965],["N(CCCl)CCCl)cc1",-10.64192312008855],["c1ccc2",-10.642045309144748],[")c1ccccc1Br",-10.64205287492524],["c3c(n2)-c2ccccc2",-10.642363516311995],["▁CCn1nc(C)c(",-10.642506772039106],["[C@H]2CN",-10.642698399111309],["NC2CCCCC2)",-10.642715020607223],["C(=O)C2=O",-10.642760707944898],["n2c(=O)oc3ccccc3",-10.642950667264293],["c1ccc2c(c1)nc(N",-10.64308087551692],["C[C@@H]1NC(=O)",-10.64318639580934],["C(=O)N(Cc2ccco2)",-10.643202315563784],["=C1\\",-10.643261037091108],["C1=C(N",-10.643324147763824],["▁Clc1nc",-10.643639659682544],["c1cc2ccccc2cc1O",-10.64372025572155],["[nH]c(=O)c1",-10.643821102551572],["Cn1nnc(-c2ccc",-10.643862480941602],["▁Cc1nccn1C",-10.643890933688398],["C2CCCCC2)s1",-10.643916216776788],["=C(N",-10.643926304297867],["(OC)c(OC)c2)c1",-10.643926597506336],["▁O=C(O)C1(",-10.643927055950886],["▁S=C(NC",-10.644099278210335],["C(=O)NN)",-10.644244185990118],["c4cc(F)ccc4",-10.644259940575132],["3)C2)cc1",-10.644533058326497],["▁Cc1oc(-c2ccc",-10.644727012988174],["▁COc1cc(C(=O)c2c",-10.64484687769755],["c2ccccc2)nn1",-10.644863594575062],["C(C#N)=C(N)",-10.64499550681784],["c-2n",-10.64514558641767],["C(O)=C",-10.645322736510964],["n1-",-10.64539357553486],["c1coc2ccccc2c1=O",-10.645455077752088],["C(=O)C12",-10.645712743224902],["cc(CN",-10.645798850009871],["c2[nH]cnc21",-10.645861783453991],["c2cc(-c3ccccc3)c",-10.646073937385284],["[C@@H]1O2",-10.646262771926992],["C2=N1",-10.646315016835988],["cc1C(N)=O",-10.646319281260208],["▁CNC(=O)/C(=N/OC",-10.646355623710026],["=C(\\",-10.646470152230131],["c(=O)[nH]c3=O)",-10.646570192995036],["▁CCCN(CC",-10.646884853030052],["N=CN",-10.646960633816663],["▁Nc1ccc(C",-10.647087377805144],["c3c(C)cc(C)cc3C)",-10.647686389340514],["c1cc2cc(C",-10.647704952952733],["N1CCC[C@@]2(CCN(",-10.647748180940258],["C(=O)Nc3ccccc32)",-10.648001098245045],["C(CC(=O)N",-10.648038598508862],["[nH]c(-",-10.648336205033088],["/C=C/C(=O)O)cc1",-10.64843397613465],["c1ccc(C2=C(",-10.648572198798774],["c2nnc",-10.64859865457606],["▁CC(C)C1=C",-10.648611932198158],["(OC(F)(F)F)cc3)",-10.648658298677928],["[C@H]1CCC",-10.648675354980451],["▁CC1(C)CN(",-10.64872891717641],["-c2ccc(F)cc2)c1",-10.648744817897311],["▁C=CCSc1n",-10.648775549563748],["Nc3ccccc3",-10.648895659371066],["oc3C)",-10.649390486667691],["c1ccc(F)c(Cl)c1)",-10.649523959608215],["c1ccc(OC(=O)",-10.64970268850373],["▁CC(C)(O)C",-10.649843655195992],["▁Cc1nc2",-10.64988546358114],["c3cccnc32)cc1",-10.649951560037907],["▁O=C(O)/C(O)=C/",-10.649963733889273],["▁CN1CCN(CC",-10.649974766740836],["(F)F",-10.650129831829153],["Br)c1",-10.650524885172397],["C[C@@]2(C)",-10.650571739761284],["C2C(=O)N(",-10.650683884977184],["▁CCC(=O)c1ccc(OC",-10.650757023786904],["C(C(=O)c1ccccc1)",-10.650809990317956],[")C(=O)Nc1ccccc1",-10.650845801589991],["c3nc[nH]c3",-10.650904433984168],["C1CC(C)",-10.65129655981261],["c3cc(-c4ccccc4)",-10.651303368804538],["-c2ccncc2)cc1",-10.651342410689228],["c2Cl)c1",-10.651405420814994],["▁CC(C)(C)NC",-10.65142297406172],["▁Cc1cnc(N",-10.651706714754749],["C(=O)Nc2ccccc21",-10.65173786848782],["-c1ccccc1OC2",-10.651767166979225],["c1nn[nH]n1",-10.652067384707312],["[C@H]1O[C@@H](",-10.652084102210791],["CC/C(C)=C/",-10.6521455269793],["N)c",-10.652453210686629],["c1ccc2c(c1)OC",-10.652600623832672],["▁CN1CCN(c2nc",-10.65260780765069],["C=CC2",-10.652632875779226],["▁Cc1ccc2c(C",-10.653028259540108],["▁CCOP(=O)(OCC)C(",-10.653030711607476],["▁CCC1=C",-10.653090936491676],["oc(=O)c12",-10.653428368887454],["C(c3ccc(Cl)cc3)",-10.653468466533326],["NC(=O)c2cccnc2)",-10.653643003097743],["c1c(O)c2ccccc2",-10.653648144000297],["CSc1nnc(C",-10.654051528653516],["▁O=C(CCS(=O)(=O)",-10.654138792462938],["c1c(O)cccc1",-10.654266980895502],["(C2)C1",-10.654359418740794],["3CCC(C(N)=O)CC3)",-10.654922300208622],["CCCCl)",-10.654940056001802],["▁Fc1cccc(C",-10.654940752152758],["/C2=N\\",-10.655224385852785],["c4ccccc4)C3)",-10.655323259607115],["NC(=O)C(C)S",-10.655492347837123],["c5ccccc54)",-10.65554784798984],["nnn2-",-10.655765176569172],["[C@]21C",-10.655824828136002],["▁Cn1c(=O)c",-10.656113386904916],["c2ccc(C#N)cc2",-10.65618876695354],["[C@H](CCC(=O)O)",-10.656385650519107],["[N+]",-10.656408780124869],["C(C)C)n",-10.65664748095665],["c1cn(CC",-10.65670063715706],["C2=C(C1=O)",-10.65688923762586],["c2ccncn2)",-10.657095769585949],[")C(=O)O)C(=O)O",-10.657100611616984],["NCc1ccncc1",-10.657315897025011],["c(=O)cc",-10.657358140525435],["=NO",-10.657696590776656],["▁O=C(O)CC(",-10.65788475736748],["▁Cc1nc(C)n(CC2C",-10.658009610825816],["-c1csc(N",-10.658080559841954],["n2cnc3ccccc32)",-10.658155753368394],[")c1nc2ccccc2s1",-10.658265746801543],["C[C@@H](N)C",-10.658288606989943],["▁COCCN(CCOC)",-10.658358823484026],["▁Cc1cc(-c2n[nH]c",-10.658388925007683],["▁COc1cccc(CC",-10.65851458560083],["▁COc1ccc(C2=NOC(",-10.658590909816551],["[C@]13C",-10.658839958726311],["c2-c2ccncc2)cc1",-10.658990484972694],["c(N3CCN(C)CC3)",-10.659155855879195],["P(",-10.659439765442182],["c(C(=O)O)[nH]",-10.659473842431485],["▁Cc1nc(C(=O)N",-10.659566982481117],["▁Cc1no",-10.659751495426018],["ccn12",-10.659936475143091],["nc(C)c2c1",-10.660042111860006],["▁NC1=N[C@@H](CC",-10.66009344834618],["(NC(=O)c2ccccc2)",-10.66009640796314],["n(CCO)",-10.660125677168171],["▁Cc1nn(C(=O)",-10.6602135141783],["C1(C#N)",-10.660326206052916],["[nH]c2ccc(F)cc12",-10.660504102543667],["c3ccccc3)cc2",-10.66057554808998],["▁C[C@@H]1CN(C",-10.660798172802613],["C#CCN1CCCC1",-10.660854987305692],["[nH]2)cc1OC",-10.66102605120236],["c2ccncc2)n1",-10.661152319432198],["▁N#Cc1c(NC(=O)",-10.66128858740927],["2CCC3(CC2)OCCO3)",-10.661302574503496],["sc1-",-10.661312191386372],["c2ccc(C(=O)OC)",-10.661449436259923],["ncc1Cl",-10.661645508181678],["▁CS(=O)(=O)O",-10.661723809202217],["CC[C@]2(C)[C@H]1",-10.661795188032851],["C(=O)N2CCN(c3ccc",-10.662330354893822],["▁Cc1ccc(/C=N/",-10.66241821882506],["\\[nH]c(=O)/c(=C/",-10.662482662280134],["Nc1ccc",-10.662484613713556],["NC(=O)c1ccccc1Cl",-10.662893044029902],["c2c(C(F)(F)F)c",-10.66289662687416],["C(=O)CCS(=O)(=O)",-10.663004411425938],["▁Cc1c(Cl)",-10.66313957997086],["▁CN[C@@H](C)",-10.663140317798426],["C[C@H]1CN(c2cc",-10.66315941714988],["CCCCCCO",-10.663361981239667],["c(-c3ccccc3)c2n1",-10.663523590327106],["c1ccc2[nH]nc(-c3",-10.663662011824885],["▁Cc1cc(C)cc(-",-10.66388393120129],["C2=CCCCC2)",-10.664060437203336],["c3nc(N)nc(N)c3",-10.664479009203529],["c3ccc(O)",-10.66456598628399],["c1ccccc1)C",-10.664575409883769],["[NH",-10.66459971356748],["▁Cc1cc(/C=C/",-10.66482195472518],["c3c2C1",-10.66486026066291],["c1ccc2ncsc2c1",-10.664874605973177],["C(C)NC",-10.664968940306272],["c3nc(-c4ccccc4)c",-10.664972327734134],["1CCCC(",-10.665156898403971],["C1Cc2ccccc2CN1",-10.665170953703967],["▁O/N=C(\\NC",-10.665335456417132],["▁CC(C)N(",-10.665342800400294],["c3ccc4ncccc4c3)",-10.66556475503409],["[C@H](C)C(=O)O",-10.665607233825382],["▁Cc1noc(C)c1CN1C",-10.665696515770492],["C)c(C)c1",-10.665911416312506],["C(=O)N1CCCCC1)",-10.665921816397422],["▁CCCCC(=O)",-10.666083491561611],["[C@H]1CCCC[C@H]1",-10.666197257436584],["▁CCOC1",-10.666300494284611],[")c1ccc[nH]1",-10.66631194332217],["[C@H]1C[C@@H](O)",-10.666343898040717],["-c1ccc(C)cc1",-10.666519382421384],["C(CN(C)C)",-10.666526785286988],["c3[nH]c(O)nc3c2)",-10.6666612017079],["▁CC(C)S(=O)(=O)N",-10.66669688552058],["c2n[nH]c(=O)n2",-10.66693212235741],["▁CCNc1cc",-10.666967760416735],["C(=O)Nc1ccccc1F",-10.667055820999972],["▁O=C(CS(=O)(=O)",-10.66715962657603],["▁O=c1[nH]nc(C",-10.667249420250188],["▁CCCCNC(=O)N",-10.667366873528366],["C2CCN(C)CC2)",-10.667440058548976],["CC2)CN1",-10.667482045166764],["s2)cc1OC",-10.667892024550868],["[C@H]2[C@H]1CC",-10.667932014667151],["c1cccc(OCc2cc",-10.667943302456212],["c1nc(N)n",-10.66796874605571],["c1cccc2[nH]ccc12",-10.668025818078432],["C2=O)c(C)c1",-10.668108638278175],["▁COc1ccc(N2CC(",-10.668161972876572],["c2cc(C)c(C)cc2",-10.66827424484887],["C[C@H]3[C@@H]4CC",-10.668380178327173],["▁Nc1nc(N)c2cc(",-10.668441455680483],["c2c(C)nn(C)c2",-10.66858406580587],["nc2s",-10.66874846273804],["2[nH]nc(-c3cc(N4",-10.66876670504438],["c1ccc(-n2nc",-10.669043392024486],["nc2c(N)ncnc21",-10.669048461369693],["c(-c2ccccc2)nc1",-10.669084120139598],["F)c(=O)[nH]c1=O",-10.669429020348916],["[C@@H](O)CO",-10.669544265233547],["C=CC(C)(C)O2",-10.669567102896767],["OCO2",-10.669657127759546],["no2)CC1",-10.669743233499586],["CN)cc1",-10.669771915552342],["c2ccccc2Cl)C1",-10.669895935975394],["C3CCCN3",-10.670083993172362],["cc2)cc1OC",-10.670259292416562],["c1ns",-10.670366495186768],["C1(c2ccccc2)CC1",-10.67061234326396],["nc(-c3ccc(F)cc3)",-10.671350407945557],["[C@H]4CC",-10.671524328385606],["c-2n1",-10.671625557001253],["c2c(c1Cl)",-10.671632538947367],["▁CN1CCN(C(=O)c2c",-10.67168959292967],["c2cc(C(F)(F)F)cc",-10.672051686894378],["C[n+]1ccn(C",-10.67243453400478],["S(N)(=O)=O)c1",-10.672752348355823],["(c4ccccc4)",-10.672753467309594],[")[C@@H]23",-10.672772849580236],["C[C@H]3[C@@H]1C",-10.67289974114427],["C(=O)c2ccc3c(c2)",-10.672905973727254],["▁COC(=O)[C@H]1",-10.672972741285578],["c1ccc(/N=N/",-10.67303257864472],["c3ccc(OC)cc23)",-10.673598953616796],["▁CCCn1",-10.673792687995334],["C1CCCCN1C(=O)",-10.673819035444144],["2CCN(C(=O)C",-10.673827559916234],["C2(CCC",-10.6738516344533],["n4c",-10.673852798711652],["▁Cc1cc(-c2c",-10.67388049525703],["OC(C)(C)C=C3",-10.673979041201289],["c2cc(F)ccc12",-10.674280610421569],["CO1)",-10.674389153285071],["C[C@]2(C)[C@H]1C",-10.67446326253389],["▁Cc1cccc2cc(",-10.674579812978765],["CCN1Cc1ccccc1",-10.67496064050762],["▁COc1ccc(-c2nc3c",-10.674968977572435],["c2ccc(N)",-10.675153712859792],["nc3ccccc3n12",-10.67549544492708],["n2nc(-c3ccccc3)",-10.675507017097445],["▁COc1cc(O)",-10.675858814897625],["cc(C(=O)",-10.676122588282514],[")CCCCC2",-10.67615593526442],["n2c(S)n",-10.67617407537972],["c1ccc2ccccc2c1)N",-10.676234923086792],["n1nnnc1SCC(=O)N",-10.676320296524196],["c3nccn3C)",-10.676455557509064],["OP(=O)(O)O",-10.67665697684586],["O[C@@H]2C1",-10.67675734753248],["c2cc(C)ccc21",-10.676976486345318],["▁O=c1[nH]cn",-10.67698039723702],["▁OCCO",-10.676991161012811],["▁Cn1n",-10.677170970928335],["▁C[C@]12CC[C@@H]",-10.677283779624124],[")NCCC1=CCCCC1",-10.67729443097986],["▁Nc1ncc(-c2cc",-10.677346838328392],["▁CSc1c",-10.677684170055464],["c2nnc(N",-10.677808372507076],["o2)ccc1O",-10.678024291435776],["cc1-c1c",-10.678052025748393],["▁O=C(CN1CCCCC1)N",-10.67816814170985],["[n+](C",-10.678270047344247],["▁O=c1c(C",-10.678281287824555],["C(=O)NCC(O)",-10.67842554745216],["C(N)=S)",-10.678511139954695],["N2C(=O)[C@H](",-10.678760729077243],[")CC3)",-10.678778183099066],["▁COc1ccccc1C1",-10.6790054256632],["▁O=C(CN1C",-10.67908214996364],["▁CCCC(=O)Nc1ccc(",-10.67908993719801],["c3cs",-10.679300492145272],["4CCN(C)CC4)",-10.679389642236435],["/C=C(\\C)C",-10.67945763371716],["c(/C=N/N",-10.679667778744946],["▁CCc1cccc(",-10.679691719294128],["▁CC(O)CN",-10.679724745978517],["c2cnn",-10.679884629798318],["c2c(=O)c(C(=O)",-10.679965798357184],["c3ncc[nH]3)",-10.680036755426542],["(-c2ccccc2)[nH]1",-10.68038115215125],["[nH]c(=S)n1",-10.680480718601784],["ccc3n2)cc1",-10.680713425203944],["▁CCC(=O)N1CCN(",-10.680719186275253],["c3ccc(N",-10.6807242170121],["Nc2nccc(-c3c",-10.6808267613632],["c(-c2ccsc2)",-10.681088150694077],["c1ccccc1-3",-10.681515812414515],["c2ccccc2F)o1",-10.68151750018476],["CCOC",-10.68171799893504],["c1ccc(C#N)",-10.681752943242966],["▁Cc1c(Br)",-10.681838212467111],["▁CCOC(=O)N1CCC(N",-10.681918411254264],["c1cn(C)c2ccccc12",-10.682033212803336],["nc3cc",-10.682190727984338],["c1nc2ccc",-10.682316553148814],["c1sc(N",-10.682610656954049],["c(-n2cnnn2)cc1",-10.68263338520754],["▁CCc1c(C)nc(O)c(",-10.682790706381567],["[nH]c(=O)n2C)n1C",-10.682853790172196],["C(C)(C)[C@@H]2",-10.682936081882255],["c1sc(-c2ccccc2)",-10.68303862723695],["▁N#CC1(",-10.683099850926348],["C2)ncn1",-10.68316708393483],["c1cc(C)on1",-10.683266449280223],["C(=O)c1cn(C",-10.683316642024645],["[C@H]2C[C@@H](",-10.68357135649162],["c2ccccc2-c2ccc",-10.683685330873232],["C(=O)C21",-10.683757139553682],["[C@@H](C#N)",-10.683862750029464],["▁O=C1C(O)=C(",-10.6839661232471],["CC1CCCO1)",-10.684087919963396],["▁COCC(=O)",-10.684156811520984],["C[C@]",-10.684228716566484],["[C@@H]5C",-10.68481588037968],["Cn1c(SC",-10.68482511540888],["c3cccc(C)c3C)",-10.684906442784314],["c2c3ccccc3",-10.685012842566454],["▁O=C(C[n+]1ccc",-10.685070808160562],["c(O)c1C",-10.685162659057095],["c(/C=C/C(=O)O)c",-10.685170264775326],["▁CC12CC",-10.68519272619728],["nc(S)",-10.685597526650092],["(F)(F)P(=O)(O)O)",-10.68589979668624],["O[C@@H](n2cnc3c(",-10.68614318530546],["Nc1c",-10.686630737900153],["[C@@H](O)[C@@H](",-10.686685461166448],["[C@H]2[C@H]1",-10.68677705568276],["c(-c3cccc(C)c3)",-10.6869299934372],["C1c1ccco1",-10.686994360447873],["CN1CCCC(",-10.68739294151788],["sc2C1",-10.687488947367523],["NC1CCN(C",-10.68765986477531],["c1nn(C",-10.68770572602752],["▁CCCCCCCCCCO",-10.687738461740585],["[C@H]1C[C@H]3O",-10.687930581669542],["c2cc(Cl)ccc2c1=O",-10.688169913453631],["C1=O.Cl",-10.6882340417645],["c2nc(N3CCNCC3)",-10.68835641484246],["c2ccc(OCC)cc2)",-10.68840829877691],["C2)C1=O",-10.688455489702566],["c3ccccc3)CC1)",-10.688474821414438],["▁CC12",-10.68853979254386],["c1ccc(Br)",-10.688645200294332],["▁CN1C(=O)N",-10.68892383297343],["c1ccc2[nH]c(-",-10.688968481841814],["▁Cc1ncc(C)n2nc(",-10.689005249874588],["▁CCOc1ccc(-c2c",-10.689053724794608],["c1nc2cc(Cl)ccc2",-10.689349607639857],["▁COc1ccc(Oc2nc",-10.68946297143244],["▁Cc1nnc(N",-10.689482256453772],["▁COc1ccc(N2C",-10.689553402578667],["▁NCC(=O)N",-10.68957437419088],["c(N)c12",-10.689643562049808],["@H]1CC[C@@H]2O",-10.689714751205331],["c3ccco3)CC2)cc1",-10.689816480232956],["C#N)CC1",-10.690210405468765],["cc2)c[nH]1",-10.690463274338766],["C2CC3CCC2C3)",-10.690678566609057],["C[C@H](O)[C@@H]1",-10.690796493163193],["C(CC(=O)",-10.690860284415251],["▁O=C(CCl)",-10.6909160039178],["▁O=c1[nH]c(-",-10.690982719199042],["▁CCOc1ccccc1-",-10.69104151414208],["(P(=O)(O)O)",-10.691123742504413],["▁COc1ccc2oc(=O)",-10.691135816349052],["c1nccn1-",-10.691676375053737],["▁Cc1cccc(C(=O)",-10.69173838054722],["c3)ccc21",-10.691892154443554],["c2c(Cl)cncc2Cl)",-10.691947726028252],["▁S=C=N",-10.691964326268636],["▁CCC1CCCCN1",-10.69197020174823],["c1ccccc1)NC(=O)",-10.69199005232051],["▁c1cncc(-",-10.692273313593253],["▁Cn1c(=O)n(C)c2c",-10.6923405907846],["▁CC(C)[C@@H]1",-10.692421482571376],["c2cc(C)no2)",-10.692422703054309],["▁CC1(C)[C@@H]2CC",-10.692546253493571],["N1C[C@H]2CC",-10.6927820595544],["[C@H](NC",-10.692907014594544],["▁COc1ccc(C2=NN(",-10.693012017213736],["c2ncn(",-10.693015128390366],["c2nc(O)c3ccccc3",-10.69311438999683],["C1(c2ccccc2)CCN(",-10.693338429130446],["n2cnnc2)cc1",-10.693416555115892],["▁Cc1cccc(OCC",-10.693657006185177],["Oc1cc(N)c(Cl)cc1",-10.693660359604454],["C1CCNCC1)",-10.69366558466444],["C1(C)CCCN(C(=O)",-10.69379598543583],["cc(/C=C/C(=O)NO)",-10.69383338936554],["C=C1C",-10.693917096420712],["3)CC2)c1",-10.69394640706627],["nn2c1",-10.69394940415174],["Cn1cnc2c1c",-10.693969182866113],["C(Cl)=C(Cl)",-10.694061842431791],["nc(OC)",-10.694261673077396],["c3ncnc(N",-10.694288415357777],["C(C)(C)CO)",-10.694544635977085],["▁CCCn1nc",-10.69458182438955],["c2nc(S)",-10.694591202125904],["C3O",-10.694670300023713],["c(OCC)",-10.694696489888212],["C(C)=O)c1",-10.694700703122653],["=NC2=O)cc1",-10.694729431704376],["c(NC3CCCCC3)",-10.694862364294094],["n2nccc2n1",-10.69496880452708],["c(=O)c(C(=O)O)cn",-10.695113975370552],["[C@@]1(C)CCN2C",-10.695130465286404],["-c2cccnc2)cc1",-10.695143930932204],["C(=O)Nc3ccccc3)",-10.695179862483574],["c1n[nH]cc1",-10.695463211737168],["CCCCCC(=O)O)",-10.695489531090576],["c2ccc(C)cc21",-10.695636523246044],["▁Oc1ccc2ccccc2c1",-10.695750370817656],["▁O=C(O)CCc1c",-10.69577369343294],["c2nccc3",-10.69589100716692],["CN(C(S)=N",-10.695932106883792],["▁NS(=O)(=O)c1c",-10.695953727322976],["▁CCCn1cc(",-10.695954283867335],[")cc1Cl",-10.696066468105322],["cc2)c1C",-10.69627798348958],["C(C#N)=C(N)O2",-10.696666665601054],["c2ccccc2)c1O",-10.696751686934846],["Cn1cnc2",-10.696761552304428],["c2C)n1",-10.69686640340987],["c2c(C#N)",-10.697041425780329],["OO1",-10.697124383347491],["▁Brc1cccc(",-10.697243321356767],["C2CC2)cn1",-10.697264364808657],["c2ccc3nccnc3c2)",-10.697462274388506],["c2ccc(N3CCCCC3)",-10.697598728861312],["c(-c3cccs3)n",-10.697631199802334],["CC[C@H](",-10.697673586513982],["/C=C1/C(=O)N",-10.697675073359308],["[C@H]32",-10.697727249963435],["c1ccc2nn",-10.69774408732211],["[C@H]2C[C@H]2",-10.697871075801512],["c2oc(=O)",-10.69790473740298],["c1ccc2c(c1)O",-10.69793473750508],["▁Cc1occc1",-10.69795532841249],["▁c1ccc(CN2CC",-10.698100765710628],["SC(=S)N1",-10.698123953101131],["c2cccn2C)",-10.698358690105051],["▁CCCC[C@H](",-10.698380914742913],[")N1Cc2ccccc2C1",-10.699009621274495],["▁O=c1[nH]c(C",-10.699308764778715],["[C@@H]2[C@H]1",-10.69942390664729],["▁CSC1=N",-10.699439236654817],["/C(=N\\O)c1cccnc1",-10.699853241386869],["c2nc(C)n",-10.699956239880718],["ccc2=O)",-10.699999077939138],["cc(CO)",-10.700501836768936],["▁COCc1cc(",-10.700622835246325],["CCCc2ccccc2)",-10.700668360433388],["▁CCCNC(=O)N",-10.700815943732268],["c(-c2ccccc2)o1",-10.700840899690418],["▁CC(C)(C)c1ccc(-",-10.701271243189884],["c2cncnc2",-10.701656139145095],["s/c1=N\\",-10.701683969896582],["c2c1N",-10.701728210007492],["▁Cc1ccc(C)",-10.701823805192117],["nc-3",-10.701890297463226],["▁CC(C)[C@H](N)",-10.702044169185566],["c3ccccc3N)",-10.702377135214684],["c2c(=O)o",-10.70268826435447],["C(C)c1ccccc1",-10.703241202550888],["c2csc(-",-10.703384181260326],["COc3ccc",-10.70344240497173],["C[C@@]23",-10.703453888522782],["C3=C2",-10.703682365094275],["OC(=O)C(C)",-10.703901662655362],["c(C#N)cc2[C@@H](",-10.704413566548364],["OC(C",-10.704417601058244],["[C@@]2(C)[C@@H](",-10.704521442747785],["▁Cc1cc(O)nc(SC",-10.704613005109463],["c(-c2ccccc2)c",-10.70463284976352],["▁O=C1Nc2ccc(Cl)c",-10.704740565295731],["▁OC1(C(F)(F)F)",-10.704798933925195],["▁O=C(Oc1ccc(",-10.704802997226407],["C(F)(F)F)cc2)cc1",-10.705100496070711],["c1ccc2c(c1)N(C",-10.705190483061148],["c(O)c(O)",-10.705258679119252],["o1)CC2",-10.705425707889123],["cc(C(C)(C)C)",-10.705508334688666],["▁COC1=CC(=O)c2c(",-10.705665374906172],["c(C(=O)O)c1O",-10.705679157860844],["(-c4ccc",-10.705754143011069],["▁CCOC(=O)C1=C(N",-10.705892577950618],["OC[n+]1ccn(C)c1",-10.705984731034594],["▁CC1S",-10.706115901153396],["[C@@H](C)[C@@H]2",-10.706124012833644],["▁Nc1ccc(-c2n",-10.706303179165564],["n1cnc(",-10.706397768267689],["c(F)c(F)",-10.7064045393168],["nc2)",-10.7064565328288],["C)CC2",-10.706497008342764],["C(c2ccccc2Cl)",-10.706553331896338],["▁C=C(C)[C@H]1C",-10.706782201262978],["c(-c2ccccc2)cc1",-10.706925773738128],["c2c(=O)n(C)c(=O)",-10.707035560516733],["C=CC1",-10.707178635215216],["CSc1ccccc1",-10.70731022266412],["▁CC(=O)c1cc(",-10.707387662488468],["C(C)C(=O)",-10.707410592535544],["▁Cc1sc(NC(=O)",-10.707538684538832],["N[C@@H](CO)",-10.70762320620628],["N2CCC1CC2",-10.70780130079318],["c1ccc(OC)cc1OC",-10.707969022582166],["Cc1ccc(-c2ccccc2",-10.70800066546097],["c2sc(N",-10.708412814336192],["▁COC(=O)[C@]1(C)",-10.70866257989318],["c1cccc(NC(=O)C",-10.708817138993314],["c1scnc1",-10.708994849233632],["C=CC=C",-10.70921162174204],["c3ccccc3)C2)C1",-10.709984875454891],["▁NCCCCC",-10.710348267466964],["cc(NS(C)(=O)=O)",-10.710407928297588],["C2=NCCN2)c1",-10.710587857769225],["nc4",-10.711229435408688],["C(C)CC)",-10.711233677579788],["Nc1ccc(S(=O)(=O)",-10.7112452226223],["C(=O)NC1=S",-10.7113134862763],["CCO[N+](=O)[O-])",-10.71146651125806],["c2ccc(Cl)cc2)n",-10.71169210076793],["ncn1C",-10.711707396097736],["[C@@H](C(C)C)",-10.712042274804384],["▁NC(=O)CC",-10.712118404640552],["N(C(C)C)",-10.712332764348105],["▁Cc1cccc(C#C",-10.712420507558647],["/N=C/c1ccccc1",-10.712517544797649],["▁Cc1cc(C)n2nc(SC",-10.71259013709554],[")[C@H]1C",-10.712710134068082],["[C@H]2CS(=O)(=O)",-10.712757818136108],["Cn1cncn1)",-10.712868511161886],["CCCCCN",-10.712905668439763],["▁Cc1c(CC(=O)O)",-10.712913343334977],["CCCC2)cc1",-10.712933577418706],["[nH]c2-",-10.712934846792212],["CCCCC3)",-10.713259484795008],["c1ccc2c(c1)-c1n",-10.713463649326872],["CCCOc1ccccc1",-10.713598803135492],["c(OCC(=O)N",-10.71361505134189],["6)",-10.713648551707667],["c1ccccc1)NO",-10.713831788745432],["cc2c1OC",-10.713886738177806],["3]([O-])([O-])",-10.71403205049485],["c2ccc(Cl)cc2)cs1",-10.714165196743611],["N1CCC[C@H]1",-10.714449535110262],["N2CC(",-10.714561166217566],["S[C@H]12",-10.714599660330215],["nc(-c2ccccn2)cs1",-10.714619901534451],["▁C[N+](C)(C",-10.71485621141684],["N2CCCCCC2)c1",-10.714973485021686],["2c3ccccc3",-10.715038971598354],["c(-c2nc(CN3CC",-10.715399545057927],["▁COC(=O)c1cccc(N",-10.715464598402312],["▁N#CCCN(",-10.715568551535853],["Cn2nnc3ccccc32)",-10.715588282837892],["▁CC(C)Oc1cccc(",-10.715711726918157],["c3cccc(Cl)c3Cl)",-10.71611279724573],["H](O)[C@@H](CO)",-10.71616133294956],["c1c(F)cccc1",-10.71652095387738],["N2CCN(Cc3ccc",-10.716723135291192],["▁O=C(Nc1ccc(-",-10.716737246197631],["nc(N)c2",-10.716737886851494],["C3C=CC(C3)C2C1=O",-10.7170272637032],["c3ccccc13)",-10.717066239197294],["▁COCC(=O)N1CC",-10.7170697070204],["▁CCOC(=O)C1C",-10.717127236890931],["▁COc1ccc(-c2[nH]",-10.7173673339901],["C3CC3)CC2)",-10.717478965213353],["c1nc2c([nH]1)",-10.717620193518918],["▁COCCN(C",-10.71767146786854],["C(=N)S)",-10.717758703217296],["C(=O)N2CCN(C(=O)",-10.71782482837483],["(O)[C@H]3O)",-10.71788356301401],["Nc2ncnc3",-10.71792951576719],["S2(=O)=O)",-10.71797251239489],["[nH]c2ccccc2c1=O",-10.718443680864134],["c3cccc(C(=O)O)c3",-10.718628773358144],["CC[C@@H]4",-10.718756847930312],["c(C(C)C)c",-10.718829444694272],["c1cccn1-",-10.718842477359413],["N1CCN(C(=O)C",-10.718901309418886],["c2c(O)cc(O)cc2",-10.718976809663316],["▁CC1(C)CC(=O)",-10.719019862560652],["▁O=C(OCC",-10.719054189776308],["c2ccccc2)c(Cl)c1",-10.719174817118825],["NCc1cc",-10.71928064881536],["[C@@H]3CCCN3)",-10.719526380779048],["n1)c1ccccc1",-10.719542236003504],["[C@H]2SC1",-10.719981044927838],["c2noc(C3CC3)n2)",-10.720136998914247],["(C)=C(C(=O)OC)C1",-10.720301371842384],["c(C)nc21",-10.72032039972471],["c3nc(C)",-10.72041736447498],["c3oc4ccccc4c3",-10.720518990483836],["▁OCCC1CN(C",-10.720758314301566],["▁NC(",-10.72084041575404],["nc(-c2cccnc2)n1",-10.72093547626909],["c1cccc2c(",-10.720979906510788],["c4ccccc4c3=O)",-10.721504698884017],["[C@@H](O)CO)",-10.721639093726669],["(OC(C)C)",-10.721824681052478],["▁CN1CCC(N",-10.721914632085838],["[C@H](C(=O)OC)",-10.721994058158774],["▁CC(C)S",-10.722065159887888],["CCC1C2",-10.722285134525931],["[n+]([O-])c1",-10.722296865116917],["c3ccccc3)CC2)CC1",-10.7223208822898],["c4c2",-10.722326384266523],["c(c23)C1=O",-10.722373104171709],["CCCN1CC",-10.72262797837369],["C(=O)/C(=C\\",-10.722661288501069],["▁Fc1ccc",-10.722864564553172],["cc4c3",-10.72299123450783],["[C@@]1(c2ccccc2)",-10.723025412687136],["c3ccncn3)",-10.723077701567572],["O)C",-10.723114458285869],["c2ccccc2O)CC1",-10.723335461459762],["c3c(C)cccc3",-10.723509061864837],["▁O=C1c2ccccc2-c2",-10.72368727934223],[")C(=O)OCC",-10.723688930679565],["Cc1noc(",-10.723738532501654],["N1CCCN(",-10.723828748739557],["C(=O)NC2CC2)cc1",-10.7240919677182],["c1ccc2oc(-",-10.724192034899868],["▁CC[C@]1(",-10.724270291980924],["▁COC(=O)C(",-10.724274337798214],["CCCN1CCCCC1",-10.72468220028054],["▁COc1ccc(C2(",-10.72476238494275],["/N=C(/C)",-10.72477912323238],["▁CN(C)S(=O)(=O)N",-10.72478462253694],["CNC(=O)c2cc",-10.724931532880806],["c2ccc(I)cc2)",-10.725164220136278],["▁Clc1ccc(-",-10.725373102377954],["cc(Br)c1O",-10.725638489363316],["▁CCN1C(=O)C",-10.725900848411433],["Nc1ccccc1)",-10.72605095664749],["c(N3CCC(",-10.726118518097415],["o2)cn1",-10.726458898523656],["C(=O)NCC(=O)O",-10.726574200644563],[")C1CC(=O)N(",-10.72658959073873],["cc(C(=O)O)c1",-10.7267155830203],["▁C/C(=C/",-10.726843858888495],["c3cnc4[nH]ccc4c3",-10.727132356064477],["c2oc",-10.727271137077349],["(OC)cc(OC)",-10.727405166266625],["[C@H]2CC[C@@H]1",-10.72756902550029],["c2ccccc21)N",-10.727590832900912],["nc1SC",-10.727901583973985],["▁Fc1ccccc1-",-10.72799401812717],["▁CCNc1nc",-10.7280461765395],["[n+]",-10.72820940442292],["▁O=C(O)c1ccccc1-",-10.728325769394736],["C=C(C",-10.728515482241692],["CC1c1ccccc1",-10.728519751863196],["▁O=C(N1CCOCC1)",-10.729082680567004],["NC(=O)c1cccc(",-10.72909198832294],["▁Cc1cc(C(=O)NC",-10.72936150709516],["c1ccc2c(c1)CCN2",-10.72949144897574],["CN3CCC2CC3)",-10.72956005553804],["[C@H]1OC(n2",-10.729673471942926],["c2nc(N3CCCC3)",-10.729685887934735],["▁Nc1nc(-c2ccco2)",-10.729691912532092],["▁COc1ccc(C2=C",-10.729734094594065],["C(=O)C1(C)C",-10.729766438274176],["COP(=O)(",-10.72977889337168],["o2)cc(OC)c1O",-10.729924357192235],["c1ccccc1)C2=O",-10.73006458602286],["[C@H](C)CC",-10.730210696082562],["▁CC(=O)OCC1=C",-10.730267319944216],["CC[C@@]1(C)O",-10.730397730034692],["Nc3ccccc3C(=O)N2",-10.730399948506683],["▁Nc1sc2c(c1C(=O)",-10.730494787324298],["C(=O)c2s",-10.730718512045415],["▁CCCN(CCC)CC",-10.730758852397528],["N1CCCC2(CCN(",-10.730813820749024],["c1ccccc1)OC",-10.730863374943574],["c(OC(C)=O)",-10.73086665714746],["c(NCCCN(C)C)",-10.73097065500554],["cc(I)",-10.730988337058314],["c3cc(Cl)ccc32)",-10.731116042264103],["c2[nH]c3c(",-10.731127848276897],["▁O=P(O)(O)C(N",-10.731320606945868],["▁CCCc1nc(C)",-10.731534653806548],["NS(C)(=O)=O",-10.732099287449415],["/C=N/OC",-10.73219043334174],["cn2n1",-10.732632884703271],["▁Cc1ccc(N2CCN(",-10.732811272820708],["▁CC(C)Oc1cc",-10.732857337381844],["▁CN1CCC[C@H]1",-10.732926935111408],["c3ccc(C(=N)N)cc3",-10.732956275024632],["(CBr)",-10.732964787678878],["c1ccc2c(c1)N",-10.73312833397458],["(N3CCOCC3)cc2)",-10.733289040424491],["O)CC[C@@H]12",-10.733297703771433],["C(C)c2ccccc2)",-10.733526850982429],["N[C@H](C",-10.733640549628088],["/N=c2\\",-10.733657297934252],["c(S(=O)(=O)O)c",-10.733787995256694],["▁O=C1N(C",-10.73390281962224],["c3c(Cl)c",-10.733920837048505],["c1cccc(C)c1)",-10.733978602565116],["C3)n2)cc1",-10.73397985100485],["nn1-c1ccc(",-10.734108249372856],["Cn2cc(C(=O)",-10.734184506943716],["c2ccc(O)cc2O)cc1",-10.734217253767962],["c2c(F)cccc21",-10.734497543938865],["[C@H]2N",-10.734627254697052],["▁C=C(C)[C@@H]1CC",-10.734860597589876],["▁c1ccc(C2C",-10.734890423171915],["▁Clc1ccc",-10.734984506723674],["c4ccc(C)cc4)",-10.73500595066144],["▁CCCSc1n",-10.7355728056806],["nc1S",-10.735607606198172],["Cn2nc",-10.735676514577149],["c2oc1=O",-10.73570540536123],["C5CC5)",-10.736052369366195],["c2cc(CN",-10.736121244176232],["▁Nc1nc2c(ncn2",-10.736197254612538],["C1)C2",-10.73627034790544],["-c2cccc(Cl)c2)n1",-10.737104848291988],["[C@@](C)(CC",-10.737129718142654],["n2cccc2)",-10.737148065055155],["▁CCN(CC)C(=O)C",-10.737161312408237],["c(NCc3ccccc3)",-10.737242648533762],["c2ccc(OCCC",-10.737571278683536],["SC1=O",-10.737666834073847],["▁O=c1ccn(C",-10.737674603589136],["▁COc1ccc2c(c1)C1",-10.737835552463194],["c1nnc(-c2ccccc2",-10.738341018490788],["C(=O)NC2CCN(C",-10.738625570769738],["C(c3ccc(F)cc3)",-10.738824063656727],["(Cn1cncn1)",-10.738843403024202],[")cc21",-10.738999064015257],["cc1C(F)(F)F",-10.73902433022014],["C[C@H]1[C@@H]3CC",-10.739080741349008],["c3cc(C)ccc3C)",-10.739152613599128],["n2nc(-c3ccco3)",-10.739211999060169],["c(C)cc2c1",-10.73951172085119],["C(Cl)=C",-10.73951306184067],["N1CCC(C(N)=O)CC1",-10.739845652612896],["▁COCC1",-10.739980733179488],["▁O=P1(",-10.740008005319432],["CN(C(=O)CC",-10.740185554746848],["CN3CCC[C@H]3",-10.74020192408539],["c3cnc4ccccc4c3)",-10.74022799418242],["▁CC(C)N1CC",-10.74036494662911],["▁S=C(NCC",-10.74050935957003],["▁CC(O)(C",-10.740623333469134],["NC=O)",-10.740662824053352],["s2)cn1",-10.740726179272809],["c2nc3ncccc3o2)c1",-10.74094261225406],["▁CC(Sc1n",-10.741156375945716],["nc(N2CCCC2)n1",-10.741212899322438],["n(CC)c1=O",-10.74133829062615],["▁CCOC(=O)N1CCN(C",-10.741341960324448],["N1CCCC(",-10.741688666060616],["c(Cl)c(",-10.741810447205484],["NC(=O)CSC",-10.741990386498506],["▁CC(C)CC(",-10.74207716336054],["▁Cc1ccc(CCNC(=O)",-10.742360675985328],["▁COc1ccc2c(c1O)",-10.742365212141603],["▁Cc1ccc(N2C",-10.742376266574636],["N2CCCC2",-10.74249939248239],["CNC3=O)",-10.74255186230155],["▁c1cc(N",-10.74261884028538],["N[C@H]1CC[C@@H](",-10.742731335078204],["c2cnn(C)c2n1",-10.74295451248469],["Cc1ccc(Cl)cc1Cl",-10.74298074473166],["Cn1c(C)c",-10.743000485464597],["C(=O)NCC(=O)OC",-10.74317145374122],[")C(O)",-10.7435483480169],["C1=NO",-10.743649658884683],["[C@@H](C2)",-10.743662984887578],["oc3ccccc3c(=O)c2",-10.74374574406421],["▁Nc1nnc(-c2ccc",-10.743786549496974],["C[C@]2(",-10.743793517470042],["▁COC(=O)[C@@H](",-10.74395554077662],["▁Cc1c(C(=O)NC",-10.743995182479496],["cc1)",-10.744224240460202],["c(NC(=O)c3cccs3)",-10.744426428053394],["c1C(=O)O",-10.7444857621574],["n2cc(-c3ccccc3)n",-10.74463212059883],["c(=O)[nH]c12",-10.744687523888576],["c2nccn2C)",-10.744704222766448],["c2cccc(O)c2)cc1",-10.744957557821024],["nn2C)",-10.745170139290591],["NC(=O)C1CC(=O)N(",-10.745238238975933],["C2CCN(C(=O)N",-10.745294372096296],["c2nc3ccccc3n12",-10.745325512641427],["c2ccon2)",-10.745572585324108],["nc3c2)cc1",-10.745706642444327],["=NO2)",-10.745731350750235],["P(=O)(OC)OC",-10.745748293103112],["▁Cl.OC(C",-10.74586348183179],["c1cc2c3c(c1)",-10.745985319538544],["▁Cc1ccccc1-c1nc(",-10.745988141523169],["[nH]c2=O)c1",-10.745991940540144],["oc2ccccc2c1=O",-10.746136338613091],["C(=S)SC",-10.746298788237326],["c2ccccc2C)c1",-10.746345315290185],["(C(=O)OC(C)C)",-10.74647121467668],["F)C",-10.74653726434595],["c3ccnc4ccccc34)",-10.746678628974946],["cc1-c1n",-10.746849735959293],["c3cccn3C)",-10.746930230425606],[")Nc1cccc2ccccc12",-10.747436642402876],["c1ccc(-n2cn",-10.747451856310704],["c3ccc(Cl)nc3)",-10.747498293346906],["▁Cc1ccc(C)c(OC",-10.747680030896223],["N)CC1",-10.747882914001334],["cc(Cl)c1O",-10.748065646702017],["[C@@]34",-10.748387519007968],["c1ccc(OCc2ccc",-10.74842789182454],["CNS(C)(=O)=O)",-10.748536887955996],["Cc1c[nH]cn1",-10.748560922267508],["c2ccc(CO",-10.748726499030347],["sc3n2)cc1",-10.74876991715141],["NC1CCCC1",-10.748874793633846],["c1ccc2nc(-c3cc",-10.748877061527082],["CC(=O)Nc1ccccc1",-10.748887870848865],["c1cccc2ccccc12)N",-10.74898871087559],["3cc(NC(=O)NC",-10.749173032309736],["c1ccccc1)O2",-10.749188710804056],["CCn2cc",-10.749222444606104],["C1=NCCCN1",-10.749397668234169],["▁CCn1ccnc1CN1CC",-10.749707057628273],["c2occc2",-10.749733882595727],["c2ccccc2F)s1",-10.749763480404589],["[S+]1[O-]",-10.749917943937117],["c4sccc4c23)cc1",-10.75001582596092],["C2(O)CCCCC2)",-10.750027293035211],["▁CCOC(=O)C(",-10.750069251451745],["C(=O)NN=C(S)N",-10.750141855344197],["CN(C)CC(=O)N",-10.75015860479802],["▁CCCCCCCCCCCCO",-10.75025717413696],["c2ccc(CO)cc2)",-10.750387405720794],["c2c(OC)cccc2",-10.750636329452906],["N2CCN=C2",-10.750646360722968],["n3c(=O)",-10.75076378264186],["▁CC(Oc1ccccc1)",-10.750836234368514],["▁CC(=O)N(",-10.751200675094909],["▁C1CCC(",-10.751209364911375],["▁Nc1nc(SC",-10.751407235340594],["C(=O)N(CC(=O)O)",-10.75152737367886],["N3CCN(",-10.751546314794536],["C(NC(=O)C",-10.751703867771337],["C(=O)c1ccc(C)cc1",-10.751782268470816],["c1nnn(-c2ccc",-10.751910214096814],["OO2",-10.75197248257082],["▁CCOC(=O)C1C(=O)",-10.75221309970351],["c4ccccc4Cl)",-10.75248405603198],["▁Cc1cc(O)cc(C)c1",-10.752530532224595],["c(C)c(C)c1O",-10.75268548399228],["▁Clc1ccc(C(",-10.7528371381651],["c2c(-c3ccccc3)no",-10.752847655816044],["c3c(=O)c",-10.752936885128026],["c-3",-10.752972227901653],["N1CCC2(CCCN(",-10.753137737942517],["C(=O)OCc1ccccc1)",-10.753320435790604],["n3cn",-10.753399721644142],["n2-c2ccccc2)",-10.753550671145277],["cnc2n1",-10.753552669951578],["c(C#N)c1",-10.753567169428171],["C(=O)N2CCc3c(",-10.753656558840426],["=NO2)cc1",-10.75377130972445],["c1cc(C)ccc1",-10.753940455191447],["C[C@H]1C(=O)NC",-10.754602188923858],["c(-c3nnn[nH]3)",-10.754985581936568],["3[nH]ncc3c2)",-10.755028767061416],["C(=O)CC2)cc1",-10.755059260069018],["c(=O)c1C#N",-10.755082405643208],["c2cccn2-",-10.755114044487534],["c2nc3ccc(C)cc3",-10.755158834602904],["NC(=O)[C@H](C)N",-10.755222481515094],["c(C=O)c1O",-10.75523535704336],["c1cn([C@H]2C[C@",-10.755249667788718],["▁O=C1N(",-10.755466634450588],["▁O=c1n(C",-10.755652678413114],["▁COc1cccc2c(",-10.75574179045096],["c1cnn2c1n",-10.755781112913605],["▁CCCCCCCCCCCCN",-10.75592995417123],["▁O=C(O)CCNC(=O)",-10.756001903437376],["▁CN(CCO",-10.756408887013832],["cc1C(=O)O",-10.756664014883324],["OS(N)(=O)=O)",-10.756702659522428],["▁Cc1cc(=O)oc2c",-10.756827226964278],["C=CC(=O)C=C1",-10.757079194743673],["▁C#CCN(C)",-10.757137450775105],["2CCN(Cc3ccccc3)C",-10.757180903991763],["C2(O)C",-10.757198971002396],["c3cccnc23)cc1",-10.757261610926744],["c1ccc(C#Cc2ccc(O",-10.75737892408478],["c1cc(OC)c",-10.757435869222022],["O2)CC1",-10.757534245243647],["n1c(-c2ccccc2)c",-10.757723979908883],["▁Cc1cccc(-n2",-10.757837065271106],["[C@@H]2C[C@H]3",-10.757848883932486],["cc(OCc2ccccc2)c1",-10.757928451388803],["c1cc(-c2ccco2)n",-10.75802072874603],["▁NC(=O)c1cnc(N",-10.75802075172886],["c1ncnc2c1cnn2",-10.758048211525136],["▁OC(CN",-10.75810696544971],["c3ccccc3)cc2)c1",-10.758155239524488],["▁C[n+]1ccc(",-10.758179544971426],["c2ccccc2N)cc1",-10.758304672726297],["[C@@H](C(=O)N",-10.758364960072598],["N(CCCl)CCCl",-10.75868150134579],["ccnc21",-10.758720223257995],["c2ccc(-n3cnnn3)c",-10.75884487822368],["c1cccc(/C=C/",-10.758922071213355],["▁COCCN1CC",-10.759056669332695],["▁COc1ccc([C@H]2",-10.759149559463085],["c(/C=C2\\C(=O)N",-10.759202561154751],["cc1CC2",-10.759229489819894],["C3)c2c1",-10.759539357221731],["-c1c(",-10.759578567569145],["c3ccccc3)CC2)n1",-10.759579667741036],["c(-c3ccccc3)oc12",-10.759907799512137],["C[C@@]2(O)",-10.759944577817931],["c2cccc(Cl)c21",-10.760013595382024],["c4cccnc4",-10.760040159688277],["c2ccc(F)cc2)cn1",-10.76006785006895],["[C@@H](CO)NC(=O)",-10.7601805907139],["nc3C)",-10.76019865460512],["c2c(C)c(C)",-10.760205762297984],["(=O)N",-10.760251634204714],["=C1/",-10.76068985579579],["(O)c(OC)c2)ccc1O",-10.760822013301308],["▁Cc1cccnc1NC(=O)",-10.760920564715091],["S(=O)(=O)N1CCCC1",-10.76094683476319],["=C1C(=O)O[C@H]2",-10.760949945628248],["C(=O)NCCCC",-10.760957173060495],["N2CCc3ccccc32)",-10.760982515681462],["c(C#N)c(N",-10.761013733707683],["c2=S)cc1",-10.761161020072162],["c1cnn(-c2ccc",-10.761225328357334],["c3ccc(F)cc3)C2)",-10.76166544611836],["N(CC1CC1)",-10.761694768991198],["▁N[C@H]1CN(",-10.761708091903296],["c(-c4ccc(O)cc4)",-10.761775847272894],["(-c2ccc(F)cc2)n",-10.761788506259585],["C(=O)c1c[nH]c2cc",-10.761817599595188],["n5",-10.76220173625696],["Cc2c1cc1n(c2=O)C",-10.762398032329004],["CCc2c",-10.762544343603626],["c(F)c2F)",-10.762914591140012],["▁N#CCC(=O)N",-10.76295017796252],["1)O2",-10.762971028852313],["nc2ccc(F)cc2c1",-10.762981466609515],["▁O=c1ccc2c",-10.763212820367226],["c(C)cc3",-10.763224582608805],["▁Cc1ccc(NC(=S)N",-10.763314993249894],["CC[C@]34C)",-10.763588379665942],["c1c[nH]nc1",-10.763593798443726],["▁Cc1ccc(-c2nc(",-10.763664205321591],["▁COc1cc(CNC",-10.763725127233222],["nc3[nH]cnc23)cc1",-10.763814183868156],["▁O=C(O)COc1ccc(",-10.763818243792684],["▁CCCCn1c",-10.76399277145321],["c(-c4ccccc4)nc3",-10.764069629210182],["CC3(C",-10.76410266266681],["CC[C@]1(C)",-10.76443917207824],["N2CCC3(CC2)",-10.764702501141851],["c(N2CCN(",-10.76472663297968],["C3CC3)ncc2c1",-10.764881671315962],["c1nc(-c2ccco2)",-10.764908211608322],["(O)[C@@H]2O)",-10.765175350010546],["▁CC(=O)Nc1ccccc1",-10.76546925692306],["c3ccccc32)C1=O",-10.765495268349554],["-c1ccc",-10.765614309580414],["c(-c4ccoc4)",-10.765649260488406],["▁C=CCS",-10.765791658729988],["▁O[C@@H]1",-10.765898138126312],["c(Br)cc12",-10.765999208574746],["c2ccc(Cl)cc2F)",-10.76609143483284],["-c2ccn",-10.766139941256064],["c1c(N)n",-10.766183223324433],["c(=O)oc2",-10.766230163334384],["c1-c1ccc(O)cc1",-10.766282170069818],["▁COc1ccc(C#C",-10.766361253946409],["ncn3)",-10.76660127295212],["▁O=S1(=O)N=C(N",-10.76665487709447],["▁Nc1ccc(C(=O)N",-10.766663693674792],["O2)O1",-10.766686544173783],["N2CCOCC2)s1",-10.767336545470943],["CCN2CCCC2)cc1",-10.767423526153223],["N=C=S)",-10.767583866944875],[")C(c1ccccc1)",-10.767593103748794],["Cn1nnnc1",-10.767614267847009],["C1CCOC1=O",-10.767836326627872],["▁CN1C2CCC1CC(O",-10.768273658230171],["3)nn2)cc1",-10.768422029749583],["c3ccccc3c2=O)c1",-10.768514402662715],["c2ccc3cccnc3c2O)",-10.768933257766047],["C(=O)O)c(O)c2)",-10.768949506989347],["2c(C)cc(=O)oc2c1",-10.768959889280996],["/C(=C(/",-10.769059456319336],["▁O=c1ccn(",-10.769077651731186],["c1ccccc1)N1CCN(C",-10.769331071086944],["[C@@]12C=C",-10.769546085831433],["▁COC(=O)C1C2CC",-10.769667475734812],["c1cn(C)",-10.769713565473772],["nc(-c3ccc",-10.770238240114804],["▁COC(=O)C1C(",-10.77025542022408],["▁CC(C)CN1C(=O)",-10.770469235719847],["N(Cc1ccc(Cl)cc1)",-10.77052135408836],["c2oc3ccccc3",-10.770632421167974],["NC(=O)C2",-10.770637883098214],["c2ccccc2OC)c1",-10.770666854736652],["▁CC1(C)C=Cc2c(cc",-10.770715273630014],["n2c(O)n",-10.771130471236823],["3)c2c1",-10.771147113455624],["CCN3C",-10.771445698135732],["CN2CCC(C",-10.771476521457584],["c(CCNC(C)=O)c2c1",-10.771584909939062],["▁Cc1nccn1",-10.771619021181357],["CCCCC2)cc1",-10.77164254598751],["▁Brc1ccccc1",-10.771690106907297],["N(C)c2nc",-10.77171013580964],["C(C#N)=C(N)O",-10.771887049728058],["▁CC1(C)C=C",-10.771905999086083],["C(=O)NCc1cccs1",-10.772037376086232],["c1ccc(Cl)nc1)",-10.772335504244904],["nc2ccsc12",-10.772547276195064],["C2C3=C(",-10.772996166561503],["C(O)C1",-10.773074018419706],["▁CCC(CO)N",-10.773117994672466],["▁C(=N/N",-10.773158646861331],["C2CC2)nc1",-10.773200050684798],["▁O=C(CN1CCC(",-10.773368383218475],["▁CN(c1ncnc2[nH]c",-10.773416382041326],["▁O=C(C1CCCCC1)",-10.77348498814844],["CCC(O)",-10.773517153590916],["[C@@H]1C[C@H](O",-10.773588856813674],["c1cccc2c1C(=O)",-10.773662707515308],["c[nH]2)cc1",-10.773711043647992],["c2cc(O)cc(O)c2",-10.773818267149329],["S(=O)(=O)NC(C)",-10.773891192647875],["c4[nH]",-10.77402473355443],["c3cccc4[nH]c",-10.774029874379709],["ccnc12",-10.774048227005904],["▁C/C=C(\\NC(=O)",-10.774062604168472],["(O)nc2ccccc12",-10.774064223402606],[")OCCO3",-10.774151015585332],["C(=O)COC(=O)c2cc",-10.774203134162327],["▁c1ccc(-c2cn",-10.774290347195912],["[C@H](CO)[C@H](C",-10.7743403988853],["[C@@H](C)[C@@H]3",-10.774495044369871],[")C2(C)C",-10.774497890345495],["Oc1ncccc1",-10.774503271016192],["NC(=O)NC1",-10.774594294866064],["c2cccc(OC)c2)c1",-10.77459995554178],["▁O=C1NC(=O)/C(=C",-10.774622330599332],[")NCc1ccccc1Cl",-10.77462984860611],["▁COc1ccc(-n2n",-10.77472744251122],["[nH]2)C1",-10.77496229545318],[")C(C)(C)CCC2(C)C",-10.774967803672975],["C[C@H]2C(C)(C)CC",-10.775139598475524],["nn4)",-10.77521852896512],["N2CCN(CCO)CC2)",-10.77524623966984],["c(N2CCOCC2)n1",-10.77525154458456],["c1ccc(-c2c(O)cc",-10.775436742967155],["CC/C(C)=C/C",-10.775486047319337],["c(N4CC",-10.775532936953612],["c(F)c2)cc1",-10.775553316246231],["c1ccc(F)cc1Cl)",-10.775650567659827],["nc2ccccc2c1",-10.775693221919584],["CC(=O)N(C)",-10.775745070406124],["C)c(=O)[nH]c1=O",-10.775770091904008],["Nc2ccccc2)cc1",-10.775843877128905],["C(CO)C(O)C(O)C1O",-10.775890062044654],["C(C)(C)N2",-10.77611332237774],["C(=O)/C=C\\",-10.776205230111556],["Cn1c(-c2ccccc2)c",-10.776213813659703],["[C@]23O",-10.776272103900451],["C)=C(C#N)C(=O)N1",-10.7763428632744],["▁CC(C)CN(C",-10.776607146359872],["C2CCCO2)cc1",-10.776701323286233],["N2N=C(",-10.776705199649294],["[C@H]2[C@@H]3",-10.776723180828393],["C2CC1",-10.777165012723504],["▁O=C1C(Cl)=C(",-10.77721876012165],["NC1CC",-10.777290578998567],["n2)cc1Cl",-10.777320847863663],["c2nccs2)c1",-10.777342720594632],["c2sccc21",-10.77735749988798],["▁Cc1nc2ccc(",-10.777412905633309],["▁O=C(O)[C@H](C",-10.777468789832946],["c1n[nH]c(",-10.777542387203583],["c(-c3cncnc3)",-10.777560540684972],["c3cccnc23)",-10.777591275792792],["▁CC(C)Nc1n",-10.777805939491884],["=C(O)C1=O",-10.77811131185559],["cc32)c1",-10.77824828416393],["N/N=C(\\C)",-10.77829900793942],["(C(=O)N(C)",-10.778712712135382],["c2nc[nH]n2)",-10.778810607473376],["c(-c3ccccc3OC)",-10.778886528069036],["-c3ccc(Cl)cc3)",-10.7789442270463],["NC(=O)CN1C(=O)",-10.779057876141234],["▁N#Cc1cnc(N",-10.779388146886092],["c3ccccc3n2",-10.779441898110946],["CCS1",-10.77957558285058],["▁c1ccc(-c2ccc(",-10.779578575215456],["c2ccc(C)nc2)",-10.779748551836786],["N2CCOCC2)nc1",-10.779749056160032],["▁COC(=O)c1s",-10.779819959776969],["▁CCC(O)",-10.779892802211428],["C4=O",-10.779903263505828],["NC(=O)C(C)O",-10.779964271108112],["-c2nc3ccccc3s2)",-10.779998678395136],["▁CCOC(=O)C(C",-10.780042674354611],["[C@@H](CCO)",-10.780054593176548],["=[N+]1[O-]",-10.780217432925223],[")CC(=O)O",-10.780505945845777],["C(=O)N(CC)CC)",-10.780694566467323],["c1ccc2c(c1)nc(-",-10.780783467051048],["c2c(C)nn(C)c2C)",-10.780824704025132],["c1ccc2nsnc2c1",-10.780852336300962],["C2CCCN(S(=O)(=O)",-10.780973896972958],["CN(C)CC",-10.78107254259043],["N[C@@H](CC(C)C)",-10.78124654919801],["▁CCCN(C)",-10.781379014814018],["c1ccc2c(c1)CCO2",-10.781397409489967],["CCCNc1cc",-10.78140293261075],["C(=O)c3c",-10.78142266169639],["Cn2cc(C",-10.78149280850979],["▁CN1CCC(OC(=O)",-10.781497938198644],["▁CC[C@H](CO)N",-10.781506106222434],["Oc2ccc(/C(=N/O)N",-10.781676060832485],["C1=C(N2CC2)C(=O)",-10.781775760512096],[")c1ccc(F)cc1F",-10.781846681466412],["c2cccc(F)c2F)",-10.781859240330014],["[C@@]2(CC",-10.781861602145652],["NCCC1=CCCCC1)",-10.78194969731749],["c2cc(Br)ccc12",-10.78197369537524],["c1n[nH]c2c1C",-10.782187277041524],["c2cc(C(=O)O)c",-10.78220943676466],["c4cc(OC)c(OC)cc4",-10.782317391267227],["CC(NC",-10.782725266256744],["cc3c21",-10.782785668941376],["CCC(C)C)",-10.782866275120702],["C(C)(C)CO",-10.78295511151486],["C2CCC1",-10.782981238379016],["▁Fc1cccc(-",-10.78300349807051],["nc(N3CCOCC3)",-10.783161677878578],["c2cc(F)ccc2[nH]1",-10.78323682055695],["1)OCO4",-10.783254293175004],["c2ccoc12",-10.783289960509832],["▁COCC(C)",-10.783499943175835],["CC)c1",-10.783500261842804],["[C@]3(",-10.783547759035775],["▁C=C1C(=O)[C@]23",-10.783625234340274],["▁CCN1C(=O)/C(=C/",-10.783720311963869],["[C@@H]2C[C@@H]",-10.783732361449369],["CSc1nnc(",-10.783764199198163],["c2ccccc2C(=O)",-10.783781982625497],["s2)cs1",-10.78380382833669],["c2c(C)cc",-10.783979374694628],["▁O=C(Nc1ccc(O",-10.784034492118314],["▁CC(=O)CC",-10.78411141898589],["c1cccc(-c2ccc(",-10.784114760936165],["O3)c1",-10.784176713396942],["c(O)ccc12",-10.784414158809652],["C2CCCCN2C(=O)",-10.784459066861292],["C(C)C1",-10.78451697794932],["C(CS",-10.784673611778036],["▁COc1cc(F)ccc1",-10.78475501773526],["NC(=O)[C@@H]1C",-10.785085171812444],["▁Cc1cc(C)c2",-10.785139893974629],["SC(=N)N",-10.785308544436958],["c2ccc3c(c2)CCN3",-10.785310432421682],["cc(N(C)C)",-10.785312451834557],["(=O)c1ccccc1C3=O",-10.785332145463356],["▁CCOCC(=O)N",-10.785425026599162],["5ccc(O)c4O[C@H]2",-10.785685316878435],["N=CN1",-10.785696651136888],["2)cc1Cl",-10.78584356197558],["cc(-c2ccc3c(c2)",-10.78646432190919],["NC(=O)C1CCN(",-10.786910228360334],["▁CN1C2CCC1",-10.787148603836236],["c1ccc[n+](C",-10.787182702926184],["[C@H]1Cc2c",-10.787213126320918],["▁COc1c(CNC",-10.787327916364486],["Oc2cc(O)cc(O)c2",-10.787399643744845],["NC(=O)CC2",-10.787408727887534],["▁CCC(=O)N(",-10.787500489004788],["▁CCCCCOc1ccc(",-10.78762895199086],["▁c1ccc(CCC",-10.787652760271136],["c4ccccc4C)",-10.787734555075822],["c(C(=O)O)c2)c1",-10.788088907083903],["C2CCC1C2",-10.788151488066775],["-c1ccc(OC)cc1",-10.788241140126914],["=NS(=O)(=O)",-10.788528575315116],["c(/C=N/O)",-10.788591794871618],["▁CCC1=N",-10.788600301105216],["ccc2OC",-10.788666139495714],["CN(Cc2ccccc2)",-10.788672403871216],["C(=O)C(F)(F)F)",-10.788811686969003],["n(-c2cccc(Cl)c2)",-10.788873605006335],["▁COc1cc2cc(",-10.788928536936591],["c2ccc(CC",-10.788994626053611],["CCS2",-10.7891089785226],["nc(-n2nc(C)cc2C)",-10.789311418399134],["▁C/C(C",-10.789379636089793],["▁CCSc1nnc(NC(=O)",-10.78950244308206],["Nc2nccc(-",-10.78970143724336],["2CCC(C[C@@H]1",-10.78974017619543],["▁COC(=O)c1cn(",-10.789970447447487],["C(=O)C(C)O",-10.78999528242687],["▁CCN(CC(=O)NC",-10.79009571465145],["CCCCC(=O)O",-10.790189623638646],["C2CCCCC2)o1",-10.790196971153726],["cs2)n1",-10.790372488340031],["[18F])",-10.790415929174358],["nc2[nH]1",-10.790525927972254],[".O=S(=O)([O-])",-10.790543384327336],["(C4CC4)[nH]n3)",-10.790561308020886],["[n-]",-10.790596792577194],["(sc3ccccc23)CN1",-10.790616563545694],["▁N#Cc1ccc",-10.790671177940888],["cc(Cl)n1",-10.790749725907885],["N1Cc2ccccc2C1=O",-10.790779385986054],["/C(O)=C(\\C#N)",-10.790791997033036],["c2cc(C#C",-10.790799895555717],["c1cc2c(cc1O)C",-10.790844042972264],["(CCCN)",-10.790851040734772],["N3C)",-10.790864112334912],["c5c",-10.79087464263864],["c(CN3CCOCC3)",-10.790934056982746],["/c(=C\\",-10.790957947706296],["▁O=C(O)c1cc(=O)",-10.791020210798584],["▁N[C@]1(C(=O)O)C",-10.791140534191529],["c1c(F)cccc1Cl)",-10.791264448217037],["cc2)ccc1=O",-10.791651338312858],["c2ccc3c(c2)OC",-10.79174799147476],["Oc1cc(O)c2c(=O)",-10.791880726207742],["c(C(C)(C)C)c",-10.791984388485126],["(OC)c(OC)c(OC)c2",-10.792012690798597],["c1nnc(N",-10.792240148712064],["-c1nc(N",-10.792326251069706],["NC(N)=O)",-10.79237352789252],["C[n+]1ccc",-10.792515950478805],["▁O=C(CSc1nnc",-10.792763104597984],["▁COc1cccc(/C=C2\\",-10.792905161565656],["nnn1-",-10.7930563400331],["c5c4",-10.793148723537865],["N(CCC#N)",-10.793231521417528],["n(C)c4ccccc34)",-10.793344591309369],["n2cccc21",-10.793418224321286],["CS2",-10.793470676886413],["n[nH]c3",-10.79349735803456],["cc3c2c1",-10.793525671400094],["N1C(=O)c2ccccc2N",-10.793721576673612],["▁CC[C@@H]1C",-10.793761525753276],["S(=O)(=O)c2ccc(N",-10.793964932895186],[")cc1.Cl",-10.794001690602723],["c3ccccc31)C2",-10.794081165783023],["▁Cc1ccc(Nc2n",-10.794114370625234],["NC(=O)Cn2cc",-10.794182633961732],["(CC(=O)N",-10.794312792169784],["▁Cn1nc(C(F)(F)F)",-10.794355782559636],["c1cncc(-c2cc",-10.794477070947032],["O)[C@@H](CO)O3)",-10.794501841230144],["n3)c2c1",-10.7945421796456],["c1nn(-c2ccc",-10.794598277516036],["▁Cc1nc(-c2ccc(",-10.7946781709425],["CN2C(=O)C(=O)",-10.794959069218326],["c1cc(OC)",-10.795173791344006],["OC(C)=O)cc1",-10.795378173781634],["ccc1C2=O",-10.79539994870866],["C)C1=O",-10.79545773007123],["▁O=C(CSc1",-10.795459935776622],["c1c(Cl)cc(Cl)cc1",-10.79548295902146],["C(c1ccc(",-10.795486536844397],["C(=O)NN=C1",-10.795644348293957],["▁Cc1nnc(-",-10.795758670766771],["c2ccccc2-3)",-10.795899473368817],["C(=O)NC2=O)",-10.795922310473768],["CC1)c1ccccc1",-10.795950881448816],["▁O=C(Nc1nc",-10.79599231686772],["cc(NS(=O)(=O)",-10.796111191216742],["▁NN",-10.796111577723082],["(O)c2ccccc2oc1=O",-10.796188208405194],["c1nnn[nH]1)",-10.796207333035069],["/N=C2\\CCC",-10.796311194356914],["c1nc(N2CCCCC2)",-10.796364694475995],["Nc1nc(Cl)nc(N",-10.79670208537108],["▁CO[C@H]1O",-10.79678800986116],["CCn1cc[n+](C)c1",-10.796847040488744],["▁CC(C)(C)c1ccc(O",-10.796884538367063],["O)c(C(=O)O)c1",-10.796896168807482],["c1ccc2[nH]cc(C",-10.79694206870061],["▁C=CCn1c",-10.79699062987877],["N1CC=C(",-10.796995881304593],["CO)n1",-10.797112588824453],["nc2c1oc1ccccc12",-10.797192624270386],["C(C)(C)CCC2(C)C",-10.797364048138864],["C(=O)c1c(O)cccc1",-10.79742085802243],["SCC2",-10.797502500619252],["C(=O)C[n+]2ccc",-10.797552052155885],["▁CCOC(=O)C(C)",-10.797637937906057],["▁Cl.Cl.N=C(N)",-10.79771381203414],["▁CN(C)CCN(C)",-10.797758705248174],["[C@@H](O)CN",-10.798001814996134],["c2ccc(Cl)cc2)c",-10.798143890580985],["c2nnnn2C",-10.79814928889401],["(=O)n(C)c(=O)n1C",-10.798234515356349],["nc(N3CC",-10.798351723672685],["COc1ccc(-c2cc",-10.798372216701676],["cc(C)c3",-10.798429919407871],["c2nc3ccccc3o2)c1",-10.79844229396501],["nc(O)n1",-10.798602903848762],["Cn1cnc(",-10.79882658361785],["n(Cc3ccccc3)c2n1",-10.79889787375849],["/C=C2\\SC(=O)N(C",-10.798952489164863],["▁C/C=C\\",-10.798966758114757],["OC(C)(",-10.799004873421197],["CCCN2C(=O)",-10.79907002684585],["c3c2)cn1",-10.799103387127449],["Cn1c(=O)c2ccccc2",-10.7991563964276],["c1C(=O)N=C(N)N",-10.799300145864995],["▁CC(C)N1C",-10.799530449771822],["c2cnccc12",-10.799794473472575],["▁Cc1ccc(N2CC",-10.799993394067464],["c3c(O)",-10.80002322377186],["c1sc(",-10.800284389765576],["▁OCc1cc",-10.800351562661572],["[C@H]1CN2",-10.800432035918783],["[C@@H](C(=O)OC)",-10.800664601447114],["c1cccnc1)C2",-10.80074850872092],["O)cc1OC",-10.800793516399157],["c3s2)cc1",-10.800820282784816],["▁Cl.F",-10.800884470028668],["[C@@]45",-10.801169823072588],["c43)",-10.801176631050112],["c1cccc(OC)c1)",-10.801622121376028],["c1cc(Cl)c(",-10.80181140216045],["C2CCCCN2",-10.801830440769155],["c3ccc(Br)cc23)",-10.801914811866702],["c(NCCO)",-10.801967299791826],["3)C",-10.802038585320574],["c(N)c(C(=O)",-10.802064238850996],["CCC4)cc1",-10.802118304196522],[")CCC1",-10.80220833419114],["c2ccc3c(",-10.802323307044126],["C(=O)N2CCCCC2",-10.802430158584746],["C)CC2)cc1",-10.802441197165304],["▁C[C@H]1O[C@@H](",-10.802501572554892],["CC3)n",-10.802974041893227],["C(=O)NCCS",-10.803077627623178],["c3cc[nH]n3)",-10.803166139776032],["(-c3ccccc3)",-10.803169761045677],["c2ccc(Cl)c(",-10.803205259244116],["c2cccc3nsnc23)",-10.80325430952264],["OC3)",-10.803466049737663],["cc3n2)cc1",-10.803506696080891],["▁CCCCCNC(=O)",-10.803668408671136],["▁Oc1ccc(CC",-10.80399409700224],["C4)ncn3)c2",-10.804030593595018],["▁Nc1n[nH]c(",-10.804045371334052],["▁O=c1[nH]c(=O)",-10.804061168822106],["c1cccc(CO)c1",-10.804174211831189],[".O=[N+]([O-])O",-10.804209306909282],["▁Cc1nc(N[C@@H]",-10.804479722438316],["c1oc",-10.80453077603341],["c2F)cn1",-10.80463260429978],["▁COc1ccccc1CC",-10.804757545046137],["▁CO/N=C/",-10.80482263448508],["c1ccc(NC(=O)N2C",-10.804888348529154],["▁Nc1nc(C",-10.804904394234535],["▁CCOc1ccc(C(=O)",-10.80517621662064],["(S(N)(=O)=O)",-10.805214142359636],["c2cc(-c3ccncc3)",-10.80524765218355],["CCN(C)C)cc1",-10.80525154012168],["CCN(CC)CC)",-10.80554146021338],["c(-c2nnc(",-10.805640129097783],["CC(C)(C)CC1=O",-10.805695430876764],["c1nc2c(N)ncnc2n1",-10.805873332100688],["n2cnnc2",-10.806137100244],["c(O)c2ccccc12",-10.80615503411936],["(-c2ccccc2)o",-10.806222913251718],["C2.Cl",-10.806250764900264],["▁Cc1cc2ccccc2n1C",-10.806257059459575],["c3cc(O)c",-10.806529455049557],["c3nnc(",-10.806702112595818],["c(=O)c2c1C",-10.806722613674111],[")[C@H](N)C(=O)",-10.806726728297647],["c2c(C)cccc2",-10.806741839133805],["[nH]c(C2CN(C(=O)",-10.806841674799056],["▁NNC(=O)C",-10.80713703930248],["NCc1ccc(OC",-10.807200714184182],["c2nnc(-c3ccc",-10.807224737037886],["c(=O)[nH]c(=O)n1",-10.807348418027605],["c(/C=C\\",-10.807436179168716],["n2C1",-10.807444933832311],["c2ccc(F)cc2)nc1",-10.807448971954832],["c(C(C)(C)C)cc3)",-10.807451999212072],[")NCc1ccccn1",-10.807464014547348],["▁CN1CCC[C@H]1CO",-10.807527058979383],["c(N)n2)cc1",-10.80768277464284],["c(-c3ccc(N)cc3)",-10.807844436386665],["c2c(F)cccc12",-10.808016734526015],["▁COc1ccc2c3c1O",-10.808073594867832],["C1CCCCC1)N",-10.80807977722585],["c1[nH]cnc1",-10.808083782103472],["c2ccc[nH]2)",-10.808150055596428],["c2c(ccc3ccccc23)",-10.808172305762408],["c1cccc(CO",-10.80829707091308],[")C(=O)NCC#N",-10.808348155303475],["(=O)c2cc(F)c(N3C",-10.808420903085992],["C(c2ccc(OC)cc2)",-10.80863154693104],["(c2ccccc2)O1",-10.809076394870893],["C(N)=O)C1",-10.80916827689461],["c2ncnc3sccc23)",-10.809190478013736],["c(-c2nnc(S)n2",-10.8098623204877],["▁O=C(NN=C",-10.80987870055104],["C(c2c",-10.809903993624822],["c1ccon1",-10.809953277796296],["Cn1nn",-10.809987663404982],["NC(=O)CSc2n",-10.810025934516652],["C(C#N)(",-10.810105755919228],["C(=O)C12C",-10.810158447286764],["▁Cc1c(C(=O)OC",-10.81021643369648],["▁CC#CC",-10.810236524551764],["c2sc(-c3ccccc3)c",-10.810299776029591],[")C(=O)c1ccccc1-2",-10.81030814191855],["c(O)c2)cc1",-10.810601363149535],["c(C(N)=O)n",-10.810682233151589],["CCN2CCCCC2)cc1",-10.8109641973825],["▁Clc1ccccc1C",-10.811015694564226],["cc3)o2)cc1",-10.81105726628066],["/N=C(/N",-10.81105777577379],["c2ccccc2OC)CC1",-10.811557513406337],["C(c2ccccc2)CC1=O",-10.8117271435214],["c2ccc(=O)oc12",-10.811852496323391],["S(=O)(=O)N2CCN(C",-10.811867807237364],["c1nnc",-10.8121087758219],["ncc1-",-10.81212200580437],["▁CC(C)N1C(=O)",-10.8121482476957],["c2ccc(Cl)cc2n1",-10.812230967949237],["c(O)c(-",-10.812443598567022],["C(=O)O[C@H]1",-10.8124594559339],["c2ccc(NC(C)=O)",-10.81246614222176],["CC[C@H]1C(=O)NC",-10.812466686153844],["NC(=S)N/N=C(\\C)",-10.812487688248597],["c2c(ncn2",-10.812503619468394],["c1ccc(N2CC",-10.812510431875957],["▁C[C@@H]1OC(=O)",-10.812583849894008],["▁Cc1nnsc1C(=O)N",-10.812634506481473],["▁Cc1cnc(-",-10.81267298016406],["c2cc[nH]n2)",-10.812798376184912],["▁Fc1ccc(O",-10.812942585922409],["c1ccccc1F)N",-10.813032378967176],["C(Cl)Cl",-10.8131300420401],["C[C@@H]4",-10.81328719456072],["c1ccc(Cl)s1)",-10.813299579983228],["(CC(=O)[O-])",-10.813410401308314],["▁CSc1cccc(",-10.813539628740042],["n3cncn3)",-10.813575742124588],["Oc2ccccc2O1",-10.813604691925146],["c3)cc12",-10.8136068465611],["C(=O)NC2CCCCCC2)",-10.813787736169088],["(C(=O)N/N=C/",-10.813923670886368],["Oc1nsnc1",-10.813955123040298],["c2ccc(Cl)c(F)c2)",-10.814147453578787],["C2=C3",-10.81420477557105],["nc2-c2ccccc2)",-10.814585615949728],["▁O=C1CCCC2=C1C(",-10.81460982802641],["▁CCc1cnc(",-10.814648158038302],["▁COC(=O)c1sccc1N",-10.814700686141808],["c1c[nH]c2ncccc12",-10.814803221951037],["c2c1c1ccccc1n2C",-10.81491709874872],["C2(CCN(",-10.814943976166408],[")c1ccc",-10.815110293208186],["C(=O)CCl)",-10.815543922285514],["/C=C/c2cc",-10.815715284088371],["S(=O)(=O)N1CCCC(",-10.815759632400082],["c3c(cc",-10.815762418369722],["nc(Nc2ccc",-10.81579028447888],["c1ccc(Cl)cc1)N1C",-10.815929870885814],["nc(N2CCCCC2)n1",-10.81597967710636],["C(=O)c2c(O)cc",-10.815983851042503],["3)cc2)c1",-10.816192333840164],[".Cl.O",-10.816302693697224],["N3CCC(O)CC3)",-10.816330081501093],["[C@H](CC",-10.816550065459108],["CSc1nc(O)",-10.816815972165587],["[C@](C)(O)C",-10.816943928160374],["▁CC/C=C\\C/C=C\\C",-10.81716977693966],["▁Fc1cc(",-10.817591441418102],["c1nnnn1-c1ccccc1",-10.81767576563754],["CCC4",-10.817732468795436],["C(=O)Nc1cccc(-",-10.817941619264596],["▁C=CCCCCCCCC",-10.81800149553829],["▁CCOc1ccccc1-c1n",-10.81807143778794],["C(=O)CC1",-10.81808757266876],["c2nc3c(C(N)=O)c",-10.818157516406814],[")c(=O)n1",-10.818259437398272],["C(CO)CO)",-10.818272441445522],["-c3ccncc3)",-10.818352151840717],["c2C)CC1",-10.81838331639515],["c(-c3cccnc3)c",-10.818610867901056],["(/C=N/",-10.818737523042763],["c2nc(-c3cccs3)n",-10.8187732831363],["1CCc2c(O)cccc2C1",-10.818784001794471],["cc(C(F)(F)F)n2)",-10.818788438242596],[")c1c[nH]",-10.81898574704779],["c2ccc(-n3cccn3)",-10.818988130885495],["[C@]34C",-10.819043346790718],["▁NC(N)=NC(=O)",-10.819083281098006],["c2c1-c1ccccc1",-10.819113902321178],["[C@]1(c2ccccc2)C",-10.81947741453488],["▁NCC(O)",-10.820016508751962],["Cc3cc",-10.820157048788976],["▁Oc1cc(O)",-10.820243045315452],["O[C@H](CO)[C@",-10.820549765618791],["1CCc2c(sc(NC(=O)",-10.820704888834294],["C(=O)NC3CC3)",-10.82073553401207],["COc1c",-10.820755577381435],["▁Cc1c(C)c2c",-10.820783306788254],["▁CNC(=O)c1ccc(",-10.821120613707253],["C(CO)(CO)",-10.821124265682055],["@H](O)CC[C@]4(C)",-10.82113147868705],["▁COc1cc(Cl)ccc1",-10.821279823758005],["Cc3c[nH]cn3)",-10.821417691836974],["3c(c2)NC(=O)CO3)",-10.821624543839231],["C2(C)C)cc1",-10.821635826612408],["▁Cc1cc(C)c2nc(",-10.821721745820303],["c2ccc(-n3ccnc3)c",-10.82183751885822],["COc2ccccc2)cc1",-10.82191032407442],["n2c3ccccc3",-10.821988397269209],["c2nnc(C)s2)",-10.822111443231996],["CSc1nc2ccccc2s1",-10.822155862108785],["c(OCCC",-10.82223547869396],["c(C)c(S(=O)(=O)N",-10.822251119414968],["▁COc1ccc(OCC",-10.822276947510328],["▁CC(C)(C)n1nc",-10.82236278315263],["c(c34)C[C@H]21",-10.82240515326724],["▁O=C1Nc2ccc(",-10.822479313278729],["▁COc1ccc(C(=O)O",-10.82279242938831],["▁O=C1C=CC(=O)",-10.823043004056784],["n2c1nc1ccccc12",-10.823276923884862],["▁O=C1c2c(O)cccc2",-10.82339332934992],["▁Cc1nn(C)c2n",-10.823449378547096],["c2nonc2",-10.823595206926552],["▁Oc1ccc(/C=N/",-10.823621533423244],["CC1(C",-10.82371842257471],["▁CC1(C)OC",-10.823791370914698],["▁Nc1nccn2c(C3CCC",-10.82382139210072],["c2c(C(C)C)c",-10.823943878306244],["[C@@H]1CCC(=O)N1",-10.82417252367114],["▁CC1(c2ccccc2)",-10.824262978949324],["c(-c4ccccc4Cl)",-10.824285519384713],["2)O1",-10.824445349470228],["Cn3cc",-10.824482992228788],["c1n[nH]c(-",-10.82454898795866],["Nc1ccccc1Cl",-10.824588215894448],["C(C[N+](=O)[O-])",-10.82459230735502],["c3ccccc3)c2)",-10.824698890861884],["C(=O)N[C@@H]1",-10.82478288268728],["N(C=O)",-10.824795671008063],["c1ccc(Cl)c(F)c1",-10.82480943990952],["▁Oc1ccc(/C=C/",-10.824889873405304],["c1cnn(-c2ccccc2)",-10.824944665811133],["C(=O)Nc1c",-10.825035984501524],[")Nc1ccccn1",-10.825066908765631],["[C@@H]3C[C@H]12",-10.825122527752768],["c1c2",-10.825140164775172],["▁CN1N=C(",-10.82517567738866],["C1c1cccs1",-10.82528504555969],["C1CCNC1",-10.82536320505002],["nc(C(F)(F)F)",-10.82538955461428],["nc3ccccc23)",-10.825764781726342],["c3ccccc3)nc2n1",-10.825801962171813],["c1n[nH]c2cc",-10.826014928119266],["▁COC(=O)Nc1nc2cc",-10.826121624477098],["▁CCCOc1ccccc1",-10.826219556942378],["oc(",-10.82624443109948],["C2CCN(CC",-10.82633530677322],["▁Cc1cnn(C",-10.826528786147978],["c2ccccc2C3=O)cc1",-10.82662297569466],["C3(CCCCC3)",-10.826665275018048],["▁Cc1cc(N2CCN(",-10.826680219368765],["CCc1ccccn1",-10.826897285231784],["[C@@H]2[C@@H]3",-10.827020292783814],["C2=C(c3ccccc3)",-10.827028868402255],["cc3c(=O)c2c1",-10.8270564004984],["NC(=O)NC1C",-10.827089608098646],["c2cc(OC)ccc21",-10.827227673061197],["c(=O)c2=O)cc1",-10.827362162824038],["/C=C/C1=C",-10.827772136541064],["▁O=C1Nc2ccc(F)c",-10.827896840987552],["c(-c3ccccc3)cc12",-10.828001805734925],["C(=O)O)cc1OC",-10.828082189302176],["C(=O)OCC)cc1",-10.828133325869077],["C(F)(F)F)s1",-10.828241122164783],["▁SC1=N",-10.82834584348598],["▁CC1CCN(CC",-10.828356910231754],["NC(C)=O)cc3)C2)",-10.828384898582218],["▁C=C(c1ccccc1)",-10.828418879926067],["▁CC(C)N(C)",-10.828706687598729],["c3ccccc32)s1",-10.828715115336404],["/N=C1\\C",-10.828737147947656],["(C(C)(C)C)cc3)",-10.828765460088055],["c(CN2CCN(",-10.829117348234462],["C(=O)O)cc2)",-10.829118506353122],["▁CCc1nccn1",-10.829167970372614],["n2cncn2)cc1",-10.829386991284784],["▁CC(C)(C)c1ccc(C",-10.829538125787614],["▁C[C@@H](O",-10.829666208631648],["c3)n2)cc1",-10.82983195080944],["N(CC)C(=O)",-10.829907400839762],["C2CCC2)cc1",-10.830167866110818],["c2ncnc(N)c12",-10.830493951859689],["Nc2ccn",-10.830524416006906],["(NC(N)=O)",-10.830707030564009],["c1nc(-c2ccccc2F)",-10.830731038976063],["▁COC(=O)CC1",-10.830897050266888],["CCNC4)",-10.830926781670504],["c2[nH]c1=O",-10.830998079952607],["1)CC2",-10.831187010622733],["C12CCN(C",-10.83121628184902],["C3)C2",-10.831329824447272],["sc(N",-10.831501972853632],["▁CCCCN(C)",-10.831586850796628],["c2cc(OCc3ccccc3)",-10.83160604134521],["[C@@H]2OC(=O)",-10.83163474492662],["▁CCn1cc",-10.831657510364078],["▁Brc1c",-10.832039164643389],["C[C@@H](O)[C@H](",-10.832225353641531],["▁Cn1c(-c2ccc",-10.832303515350478],["-c2ccccc2)s1",-10.83240885996071],["▁CC1(C)C2CC",-10.8324521349892],["▁O=S1(=O)N",-10.832662886748327],["C#Cc2ccc",-10.83272192076914],[")O3",-10.832788772553425],["c1c(Cl)cc",-10.83279544151836],["(OC)c(OC)c",-10.832853687101538],["▁[3H]",-10.832976200719264],["/C(=C(\\",-10.833006111804565],["C2CCCN(C(=O)c3cc",-10.833089866121547],["N1CCC(O)CC1",-10.833116753209646],["n2cncn2)",-10.833315947821951],["C3CCS(=O)(=O)C3)",-10.833343201089786],["▁Cc1ccc(-c2nc(C",-10.833394795296831],["C(=O)/C1=C/N",-10.833453412063465],["c1nnc(SCC(=O)",-10.83345849907241],["c1cccc[n+]1C",-10.833601050321928],["=N/",-10.833631707886724],["[C@@](C)(C",-10.833739418713318],["c2nc(C)cs2)",-10.83403236001348],["c1cccc(C)c1C",-10.834148680176591],["C[C@]3(",-10.834377185732446],["▁CSc1cccc(N",-10.834439218769408],["CCCN3CC",-10.834537564840105],["/N=C2\\C",-10.834640349325223],["▁O=C1C2CCCN2",-10.834691757216405],["c2ccccc2C)n1",-10.834887667524963],["S(=O)(=O)N/N=C/",-10.834956893451308],["▁CN1C(=N)N",-10.83504523679261],["▁Cc1ccc(SCC",-10.83523651339183],["c2ccc(OC)cc2)c1",-10.835258857479328],["c3ccccc3n2)CC1",-10.83528957795761],["c3ccccc3)ccc2n1",-10.835329010613332],["▁N#Cc1cc(",-10.835330481658572],["c3c(F)cccc3",-10.83561578412226],["CCOCC",-10.83567201064286],["o2)no1",-10.835712627141962],["c2cc3c",-10.83581937743354],["CN(CCCC",-10.835876543150896],["c(S(=O)(=O)Nc2cc",-10.836391087424898],["▁C[C@]12CCC3C(CC",-10.836430581541544],["▁CC(=O)O[C@@H]1C",-10.83651394629826],["▁CCC(=O)NC",-10.83665657309784],["c(Cl)c2Cl)",-10.836692669594523],["▁C[n+]1cc",-10.836741069141556],["▁C/C(=N\\NC(N)=S)",-10.836994148319814],["c2cc[nH]c2n1",-10.837553860308144],["cc1C2=O",-10.837721967579668],["C1=CC=C",-10.83772994644814],["c3n2)c1",-10.837790470091065],["c2c[nH]nc2",-10.837860160017463],["N1CC1",-10.837882840345166],["C(=O)[C@H](C",-10.837960107346408],["N2CCCCC2C)",-10.838075908188092],["c1-c1cc",-10.838155298152712],["▁COc1ccc([C@H]2C",-10.838286302276789],["▁O=S1(=O)C",-10.8383830979722],["C(=O)NCc2cccnc2)",-10.838511205010338],["=C1NC(=S)S/C1=C\\",-10.83872985727766],["C(c1cc",-10.838959923344529],["▁Cn1ncc2c(N",-10.839332431417173],["▁CCCN(CCC)C",-10.839341856922278],["▁Cl.Clc1ccc(",-10.839351244853246],["COc1cccc2ccccc12",-10.839379837015764],["c3cccc(C)c3",-10.839391489275627],["nc(C)n2",-10.839394885285852],["▁Cn1cncc1",-10.839494035903112],["C2C(C#N)=C(N)Oc3",-10.839508076575411],["CN(C)C(=O)C",-10.839659280121388],["▁N#Cc1cccnc1",-10.839822985194724],["▁COP(=O)(OC)",-10.839854680340196],["c1ccc(O)c(O)c1)N",-10.840003425790243],["[C@@H](c2ccc",-10.840072996401071],["/N=C1\\N",-10.840100887308337],["sc3c2",-10.84021474874157],["▁Cc1c(Cl)c",-10.840324829959474],["▁COC(=O)CCC(=O)N",-10.840334443771985],["▁Cc1cnc(CN",-10.840500328884197],[")NCc1cccnc1",-10.840615837005773],["-c2cc(=O)c3c(O)c",-10.840655810922582],["C4)cc1",-10.84070765970032],["▁O=C1C(=O)",-10.84072376251151],["-c3ccc(Cl)cc3Cl)",-10.8408192249454],["c2cc(F)",-10.840931810714224],["C[C@](C)(O)",-10.841034186804574],["▁N#Cc1ccccc1-",-10.84112641376172],["(OC(F)(F)F)cc1)",-10.84124532387994],["4CCCCCC4)",-10.841395645079553],["C2CCCC2)n1",-10.841738168254585],["c1ccccc1)C(N)=O",-10.841890211181656],["▁CCN(CC)C(=O)c1c",-10.841905762874925],["▁O=P(O)(O)O",-10.841923753655989],["▁COc1ccc(CC2",-10.842039917452311],["Nc1nnc(-",-10.842208314562452],["▁Cc1ccc2oc(",-10.842254048180084],[")c1ccc(O)c(O)c1",-10.84236962826165],["nc(C)c",-10.842409221353694],["C(C)=C(",-10.842676300827057],["C1=NN(",-10.842806596074034],["NC(=O)C(C)OC(=O)",-10.842831190822649],["▁Cn1cnc2c",-10.842909642641477],["c1cscc1",-10.843127607747462],[".[Li+]",-10.843136296992872],["COc1ccc(Br)cc1",-10.843165492570977],["c2cc(N3CCOCC3)",-10.843188089319202],["CCNCC2",-10.843195394312104],["4ccccc4[nH]3)",-10.843374574905711],["n3)CC2)c1",-10.84338210043701],["3)CCCC2",-10.84344131541464],["c(-c4cnn(C)c4)",-10.843607289607602],["▁C(=C/c1ccccc1)\\",-10.8437296421194],["(C(C)C)C(C)C)",-10.843860085783698],[")=C\\c1ccccc1",-10.844050975194657],["cc(NC(=O)N",-10.844091627011942],["n1c(",-10.844096397018394],["▁O=NN(CCCl)C(=O)",-10.84416228320783],["Oc2ccc3ccccc3c2)",-10.84416296307548],["▁[2H]C([2H])",-10.844245147916382],["O)c(=O)[nH]c1=O",-10.844737947191504],["[C@@H]1Cc1ccccc1",-10.84479932619835],["▁CC(NC(=O)N",-10.844805047651953],["c2c(c(=O)[nH]1)",-10.844934779331297],["ncn1-2",-10.845276719466758],["CCCn1ccnc1)",-10.84539550528705],["▁CCC1(C)",-10.84539641385212],["▁CCN1CCC[C@H]1CN",-10.845415383594208],["/N=C/c1ccc(O)cc1",-10.84546981697839],["3O[C@]4(C)CC[C@",-10.845523513660757],["c2ncn(C)c2",-10.84552362908918],["c(-c4ccccc4F)",-10.8455810061973],["c3ccccc3)cc2)n1",-10.845666301405949],["NC(S)=NC",-10.845777265345262],["▁CCCCCCCCn1cc(C",-10.8458542746688],["s4)",-10.84586879780569],["C2CCCN(C(=O)CC",-10.845922544137988],["▁N#Cc1ccc(-c2c",-10.846162097002072],["c1cc2cc",-10.846182575692575],["c1ccnn1C",-10.846306869889826],["▁CSc1nc(N)",-10.84658324435355],["c1ccc(Oc2ccc(",-10.846750635224929],["c2cccc(F)c21",-10.847016673737212],["c2nc(C)c(C)",-10.847090869243214],["▁N#Cc1cccc(-c2c",-10.847122475957734],["C(=O)NCCN",-10.847122966960612],["▁S=c1",-10.847220760859464],["Cc2cc(OC)c",-10.84726856680838],["c(N)nc2n1",-10.847338515634664],["▁C/C(=N\\OC",-10.84742628559351],["C(=O)C=C(C)",-10.847447327685853],["▁C/C=C(\\C)",-10.84752961338624],["▁CN(C)C1CC",-10.847554955917186],["oc1ccccc12",-10.847577087764982],["CC(O",-10.847614423386036],["4)cc3",-10.847633300304402],["C2=NC",-10.847736036413504],["c3noc(C4CC4)n3)",-10.847809653300462],["OCC(O)CNC(C)C",-10.847908041388395],["c1cccc2c1C(=O)N(",-10.84798118914673],["CCCC21",-10.84805416517194],["▁C[N+](C)(C)CC",-10.848113588979416],["▁Cc1noc(C)c1CO",-10.84822091288649],["Nc1ccc(Br)cc1",-10.848225782333266],["cc(C)c1Cl",-10.8483449074249],["CCN1S(=O)(=O)",-10.848371188358236],["▁N#C/C(=C\\c1ccc(",-10.848386019863984],["[C@@H]1[C@H]2O)",-10.848418224398674],["c([S+](C)[O-])",-10.848638567829266],["C(C)C2",-10.84867432440866],["N[C@H](C(=O)N",-10.84882548944091],["c(O)c(C(=O)NC",-10.848877333285296],["c1cscn1",-10.84890761956752],["c2c1[nH]c1c",-10.848959352723082],["c2ccc(F)cc2F)CC1",-10.849322304221133],["(c2ccc",-10.849516734653932],["[C@@H]3C[C@@H]3",-10.84955763862109],["CSc2nn",-10.84990358122798],["▁O=C(CSc1nnnn1",-10.850070123572571],["N1CCN(CC(O)CO",-10.850197695891262],["c2cn(-c3ccccc3)",-10.850305797038414],["n[nH]2)",-10.85031007379443],["ccc2F)",-10.850350430855595],["c(N(CC)CC)",-10.85063093168406],["c2ccc(F)cn2)",-10.850937494410054],["▁O=C(CCN1CCN(",-10.851004323507391],["cc2C)c1",-10.851016593842708],["▁O=C(CN1CCCC1)N",-10.851029836741784],["/C(=C\\c1ccco1)",-10.851142320311592],["▁COC(=O)[C@H](C)",-10.85118967678474],["nc(N)c2cc1OC",-10.85130367912694],["▁COc1ccc(C2N",-10.851514770222032],["Cc3ccccc3F)",-10.851573641043302],["2CCC3(C",-10.85173286152352],["(C(=O)O)cn2C1CC1",-10.851807863132736],["CC(C)(C)N",-10.851881849961362],["[C@]3(C)C",-10.851924980648183],["C(=O)[O-]",-10.851942648599204],["c5ccccc45)",-10.852179505347966],["c(-c2noc(",-10.85220635225241],["c3c(c2)OCCO3)c1",-10.852294921722155],["Oc1ccc(F)cc1",-10.852700774205015],["[C@H]3CC[C@@H](",-10.852701062100508],["c(-c2ccnc(N)n2)",-10.852961823143286],["c2cccc[n+]2[O-])",-10.852998357332348],["▁Cc1csc2",-10.85313329041575],["nc(-c2ccncc2)cs1",-10.853179023804838],[")c(O)c1",-10.853231317260638],["▁Cc1onc(",-10.853300022749096],["=C1c1ccccc1",-10.85354162025198],["C(C#N)=C",-10.853682772469064],[")c1ccc(O)cc1O",-10.853748779401377],["C2=NCCS2)cc1",-10.853776787959111],["C2O1",-10.853779927387915],["c3nnc(-c4ccccc4)",-10.853849720245464],["c1no",-10.853936220101687],["C(=O)O)c(C)c1",-10.854200532741729],["▁COc1ccc(CN2CCN(",-10.854348857741275],["C(=O)N[C@@H](CO)",-10.8543581964967],["c1nnc2n1CCCCC2",-10.854366262130208],["CCC(=O)O)c1",-10.85442579801746],["▁Cc1ccc(CN2CCN(C",-10.854436294260658],["▁Oc1ccc(Cl)cc1",-10.85451330033153],["1CCC[C@H]1C(=O)O",-10.854539455379154],["N(Cc2ccc",-10.85457022287099],["C[C@@H]1C3",-10.854616513955158],["c1ccncn1",-10.854710364364337],["[C@@H](C(=O)NO)",-10.85488278545348],["▁C#CCCC",-10.855138361827745],["C(C)C)cccc1C(C)C",-10.855155257982304],["▁C=CC(C)(C)",-10.855409571556946],["▁CCOC(=O)CS",-10.85595529872104],["c2c(ccc3ccccc32)",-10.856159808175846],["c2cc(O)c(O)c(O)c",-10.856199478643727],["2)ccc1Cl",-10.856220844986392],["▁c1cnc(",-10.856281605517385],["COC(=O)c1ccccc1",-10.856557594018332],["nc(OC)n1",-10.856581889304591],["ccc5",-10.856638668830092],["c3ccccc3)sc2c1",-10.856721578451168],["▁Cc1nccn1CC",-10.856793619702966],["c2ccc3cccnc3c2",-10.856803811400225],["C(=O)NCC(=O)N",-10.856832334180435],["cn2)C1",-10.857020315355848],["[C@H]1CC[C@@H]2",-10.857231151797706],["▁O=C(Oc1cc",-10.85728139489824],["c2cc(OCC",-10.857711969413725],["c3c(O)n",-10.85785996722382],["C(c1ccccc1Cl)",-10.857938509483496],["c(OC)c2)",-10.857940431780335],["C2CCCNC2)",-10.857945820414256],["nc2c(O)nc(N)nc21",-10.857961609558789],["CN(C)C(C)",-10.85799859748566],["c3ccccc3)nc21",-10.858043137139283],["[O-])cc1.[Na+]",-10.858064781343195],["[C@@H](C(=O)O)C1",-10.8581128882538],["c3cscn3)",-10.858189973840425],["NC(=O)c1ccccc1O",-10.858227602432038],["c1cc(C2CC2)n",-10.858537863903036],["3)C2",-10.858605860761816],["c2ccc(S",-10.858804027066077],["c3ccnn3",-10.858841564525534],["C3CCN(C)CC3)",-10.858851486468108],["▁CCCCCCCCCC(=O)C",-10.858869484352454],["c2cc(C3",-10.85904218879461],["(-c3cc4ccccc4o3)",-10.85907045407329],["▁COc1ccc(C(",-10.85908388327162],["CO3",-10.859121249094915],["▁CC(C)(O)C#C",-10.859252244722075],["c2cnccn2)CC1",-10.859281031431882],["c1nncs1",-10.859343180037396],["n1c(=O)[nH]c(=O)",-10.85961741802818],["C2c3ccccc3O",-10.859778049900326],["c2nccc(Nc3cc",-10.859793314529458],["▁COc1cccc(OC)c1O",-10.859901864234049],["C2CCCC2)C1",-10.859981476970926],["(Cl)c(Cl)cc1Cl",-10.860005024985334],["c(-c4ccco4)",-10.860008562415986],["/N=C/c1ccccc1O",-10.860071077987572],["CN.Cl",-10.860164528405836],["O2)c1",-10.860174921752968],["cc(OC)c(OC)cc23)",-10.860205728433655],["c(C2SCC(=O)N2",-10.860247635668344],["▁CN(C)C(=O)c1c",-10.86063859305159],["▁Cc1ccc2c(c1)N(C",-10.861172249932054],["c2ccccc2c(=O)n1-",-10.86117386864588],["C2CCCCC21",-10.861196633505145],["▁C=CCC1",-10.861349682128049],["2c3ccccc3CC2C)",-10.861401365905165],["c2cccc3cnccc23)",-10.861489211065429],["C(=O)NC12C",-10.861544043314275],["C2CCCCCC2)",-10.861909461310692],["C(=O)O)ccc1O",-10.862670305375437],["n4n",-10.862686856637682],["n1cc[n+](C)c1",-10.862837547103794],["c2cc(C#N)",-10.862842656532337],["cccc2c1=O",-10.862892897163777],["ccc2c1Cl",-10.863035649930048],["N2CCC(O)(",-10.86310818392796],["c2ccc(NC",-10.863284462040449],["c2ccc(OC)cc2c1",-10.863455819470394],["▁COC(=O)CS",-10.863460962391224],["▁CCCCCc1ccc(",-10.863500757952878],["▁Cc1ncccc1",-10.863512425996742],["C(CCc1ccccc1)",-10.863550899864098],["▁CC1(C)C(=O)N(",-10.863564730331202],["c1ccc2cnccc2c1",-10.863610896863062],["n(CCC#N)",-10.86368823930408],["nn(-c3ccccc3)c2",-10.863784702868251],["/C=C(\\O)",-10.863833251682625],["/C=C/c2cc(OC)c",-10.86410017468145],["=C(C)C",-10.86424125797866],["C2=CCC",-10.86464848007876],["(CCC#N)",-10.864801997497503],["c3c(C)",-10.864870513388611],["(Oc2ccccc2)",-10.864987090888874],["▁Fc1ccc(C2",-10.865093570396592],["c(OCc2ccccc2)c1",-10.86512878921842],["CC2C)cc1",-10.865155454343167],["▁COc1ccc(NC",-10.865171706379916],["c3c(C)c(C)",-10.865206369708476],["c(C)nn2",-10.865207938977584],["c1ccc(OCC)cc1",-10.8652140841503],["c(C)c1Br",-10.865255067470937],["C[C@]1(O)C",-10.865527419573183],["ncn2)CC1",-10.865776026639022],["C(c2ccccc2)=C",-10.865831622670402],["nnn1-c1nonc1N",-10.865848377346609],["c1c2n(c3ccccc13)",-10.8658878610165],["▁CCc1cc(N",-10.865996003703104],["▁O=C(O)c1n",-10.866164106541817],["3)OCO2",-10.866259755489716],["c(I)c1",-10.866308949689843],["c2c(C)n[nH]c2C)",-10.86637030449337],["c3ccc(C(C)=O)cc3",-10.866713105953014],["C3)cn1",-10.866888065909553],["c3ccccc3C#N)",-10.867265158837013],["CSC1=C(C#N)C(",-10.867295633111688],["CC[C@]2(C)O",-10.867464861962004],["C(CC)(CC)",-10.867696850824416],["c(-c2c[nH]c3nc",-10.867768934716285],["O)cn(C3CC3)c12",-10.868079398724008],["C(=O)C(C)(C)C",-10.86842935617524],["CC(O)(P(=O)(O)O)",-10.868451854908592],["n3c2=O)cc1",-10.868515041991827],["C(=O)C(C)C)",-10.868573553405437],["c1cnn(-c2cc",-10.86858087202002],["c2ccccc2C3=O)",-10.86868163832769],["Cc3ccccc3Cl)",-10.868819724152107],["CO)CC1",-10.868910946177396],["▁Cc1cc(Nc2cc",-10.869019666407652],["sc1=S",-10.869134177276903],["CC1C(=O)NCCN1",-10.86915895600554],["c3cc(OC)cc(OC)c3",-10.869256586372728],["(=O)c2ccc(C)nc21",-10.869273406015274],["c1ccc(CN2CCN(",-10.86942087994469],["OCC2CC2)",-10.869500844569458],["(O)c(C(=O)/C=C/",-10.869771153708548],["C3)n2)c1",-10.869780967498269],["▁CC#CCOc1ccc(",-10.869846459083336],["c1nnc(-c2cc",-10.870007651222863],["CO/N=C/",-10.87007211546758],["▁Cl.c1cc",-10.870172360282703],["c4ccc(O)cc4)",-10.8701826749203],["n2c(-c3ccccc3)c",-10.870283455021768],["CCS)",-10.87039849957634],["▁O=c1cc(O)",-10.870495201369971],["C(C)(C)[C@H](O)",-10.870585195166896],["c(NC(C)=O)c",-10.870712290425123],["COC3)",-10.87073447653087],["c1nonc1N",-10.870890908812054],["CCNC4=O)c2nc1N",-10.871095044328351],["c3n2)CC1",-10.871122402852064],[".[",-10.871263091195909],["3CC[C@H](C2)N3C",-10.87129487698825],["▁Cc1c(CN",-10.871332293847436],["▁CCOC(",-10.871512147727874],["c2ccc(C)c(Cl)c2)",-10.87155504592678],["▁O=C(/C=C\\",-10.871609614627626],["▁Fc1ccc(OC",-10.87165035146943],["▁O=C(O)CCC/C=C\\C",-10.871896585026802],["▁Cc1sc(",-10.8719848877242],["c2c(cccc2",-10.872036299356097],[")nn2C",-10.872094386686502],["COc1ccc2c(c1)",-10.872130248010771],["▁Cc1cc(N)nc(C",-10.872153362074638],["[C@@H](C1)",-10.872219073603638],["c2oc(C",-10.872278721793164],["C(=O)NC1",-10.872311063862393],["▁O=C1NC(=S)S",-10.872464803284474],["▁CC/C=C\\C",-10.872577867348827],["NC(=O)/C(=C\\N",-10.87259219600093],["NC(=O)Nc1ccc(",-10.87273782326988],["N1CCN(CCO)CC1",-10.872886244409202],["▁CC(C)(N)",-10.872888577476154],["CCNC3)",-10.872962862449208],["ccc2C1",-10.873013303305324],["▁COc1c(C)cc(",-10.873072690162587],["▁CCOC(=O)Cn1",-10.873106423303424],["c2nc(N)nc(N",-10.87328574655645],["▁CCCc1cc(C(=O)N",-10.87336809531632],["c1ccc(-c2ccc(C",-10.873512853926728],["▁CCc1ccc(C2",-10.874255630950303],["N1CCOC1=O",-10.874301449651258],["c2c[nH]cn2)CC1",-10.874345603496284],["2)no1",-10.874472890005713],["▁COCCOC",-10.874495633646744],["c2cc(Br)ccc2O)",-10.874671434605958],["c3cn[nH]c3",-10.874706742288986],["c2ccccc2)CN1",-10.874889279957335],["[C@H]4C[C@H](O)",-10.874896441875668],["n2ccccc2=O)",-10.87492975456548],["▁Cc1c(C)",-10.875017650307644],["c1cc(-c2ccncc2)n",-10.875095118472276],[")Nc1",-10.87522724166669],["c2nc(N)nc(N)c12",-10.875233788847927],["c2)c2c(N)ncnc21",-10.875251537255512],["▁Cc1nc(-c2ccc",-10.87528123674118],["C3CC(",-10.875380501855789],["N=C2CCC",-10.875540935740004],["c3c(O)cc",-10.875633962763768],["C5CC",-10.875674047243988],["c2nc3c(c(=O)",-10.875730533596537],["S3",-10.87576969562123],["CCC(=O)OC",-10.875772376744154],["▁CC(C)(C)CC(=O)N",-10.875772937160992],["▁CCCc1nc(",-10.87578255982072],["C(=O)O)c1ccccc1",-10.875866091683688],["▁CCOc1ccc(OC",-10.876043328344748],["N2C)cc1",-10.876217776330211],["-c1ccccc1C2",-10.87629839694506],["c4)c3",-10.87650615380181],["▁CCOC(=O)c1ccc(O",-10.876690983209317],["C1CC3CC(C1)CC2C3",-10.877062829651962],["▁FC1(F)",-10.87707121759033],["[C@]1(CO)",-10.877112481669387],["▁NCC1C",-10.87728702846417],["C(=O)C=C[C@]4(C)",-10.87732473781676],["c(OCCF)c",-10.877713877014926],["C(=O)N[C@H](",-10.87778239886414],["2CCN(S(=O)(=O)",-10.87817963263424],["CCSc1ccccc1",-10.878192644014158],["▁OC(c1ccccc1)",-10.878541418189478],["c1cccc2ncccc12",-10.878633090113471],["▁C/C(N",-10.8787111950382],["▁CCCCCC(=O)",-10.878879453856698],["▁CN1CC(=O)N(",-10.8789788542313],["▁CC1=NN(C(=O)",-10.878992917118644],["▁CCOc1ccc2nc(N",-10.879174899366893],["nc(NCCO)",-10.87918927435561],["CN(C(=O)N",-10.879421870765732],["c3o2)cc1",-10.87946281677737],["c(C)c1O",-10.879801817534082],["C[C@@H]4C",-10.87980453618408],["▁Cn1c(-c2ccccc2)",-10.879829071054232],["▁N#Cc1nc",-10.879898656674982],["c3ccccc3oc2=O)",-10.879956901541394],["C(=O)O2)cc1",-10.880013960184607],["C(F)(",-10.880198899017458],["N2OS(=O)(=O)O",-10.880269903365324],["▁C[n+]1ccc",-10.880279723276814],[")N1CCSCC1",-10.8803187234239],["c(-c4cn[nH]c4)",-10.880408402669625],["nc(N3CCOCC3)c2",-10.88054125277479],["c(Cl)c3)",-10.880552779376456],["3)cc2c1",-10.880597716151213],["▁[O-][S+](",-10.8807063395601],["C(=O)NC(C",-10.88073468589782],["-c2ccc3c(c2)C",-10.880753914993248],["▁CCn1cc(C(=O)N",-10.88082872856313],["[C@@H]23)",-10.8808311158106],["c1cc(Cl)c2c(c1)",-10.8808344899409],["Nc1nccc(N2C(=O)O",-10.88095851329726],["C=CC(=O)O1",-10.881057280712206],["2)CCCC1",-10.881177384743498],["c1cccc(C#N)c1)",-10.88120408858547],["c(-n3nc",-10.881233358619053],["Cn1cnc2c(",-10.881297103794576],["C2C3=C(COC3=O)N",-10.881324544483109],["c2ccccc2c1O",-10.881340276883453],["c(SCC(=O)",-10.88135579485788],["▁CNC(=O)c1cccc(N",-10.881652131739402],["▁CCc1c(C",-10.8816595535606],["cc2)C(=O)N1",-10.881682330405088],["C(F)(F)F)n1",-10.88190860493967],["N3CCCC3)c",-10.881988381737225],["N(c2ccc(Cl)cc2)",-10.882053050143272],["▁CCC1CCCCN1C(=O)",-10.882181214148964],["c(Cl)c1=O",-10.882292094914678],["/C=C/C(=O)OC",-10.88234024870837],["CO4)",-10.88235641150537],["▁FC(F)(F)c1c",-10.882380224481674],["c(N2CCN(C)CC2)n",-10.88239492751794],["c3ccc(C)s3)",-10.882434587500429],["▁C#CCNC(=O)",-10.8824372197592],["c2nc(NC",-10.882560815204616],["CC/C=C\\",-10.882700891436208],["c2cc(O)c(O)cc21",-10.88275252143704],["CO2)cc1",-10.8827672361396],["-c1cccnc1",-10.882822947459973],["=N2)cc1",-10.883014397357195],["N(Cc3ccccc3)",-10.883019245550829],["3)cc12",-10.883049713611069],["C2CC(c3ccccc3)",-10.883066782509484],["c3ccc(F)cc23)",-10.883072569548716],["/C=C/c2ccccc2",-10.8832141116435],["CC/C2=C\\",-10.883271634043652],["c23)N1",-10.883470534457626],["CCCCCCCCCCC",-10.883535762061255],["C[C@@]2(C)C(=C",-10.883575186700387],["▁CC(C)(NC(=O)",-10.883833317259],["[N+](=O)[O-])o1)",-10.883876800314008],["c2ncnn2",-10.883978185541464],["C3CC3)c",-10.884020248886811],["c(N(C)C)c",-10.884185138864307],[")C1(",-10.884229943986794],["o2)nc1",-10.884309282268235],["c(-c2ccc(NC(=O)",-10.884413100068093],["[n+](C)c",-10.884423742829412],["C(C)(C)NC(=O)N",-10.884457713318287],["c(C(=O)O)n",-10.884520306954204],["Sc2nc",-10.88462908433542],["c3nc4ccccc4nc3",-10.884664842471024],["NC(=O)c1ccc(-",-10.884725646543426],["[Si]",-10.88481859024558],["C)C2",-10.88490417703187],["▁C=CCn1c(=O)",-10.884907516754414],["nn3C)",-10.88510521207049],["nc2)cs1",-10.885199534387548],["(C(=O)NCCO)",-10.88551640533266],["▁CN(C)C(=O)Oc1cc",-10.88555150572122],["▁CCCCc1nc(Cl)c(",-10.885722304112296],["CC3)CC1",-10.885940694133318],["c(-c2ccccn2)",-10.886135038885218],["c1ccc(C2C",-10.886162811014463],["c1cn(-c2ccccc2)",-10.886163095903132],["▁c1ccc(N2CCN(C",-10.88617411325412],["▁CCN(C)C(=O)O",-10.88621894663179],["/C=C/C=C/C=C/",-10.886341336408996],["▁Cc1cc(C)cc(C",-10.886368841996246],["▁Cn1cccc1C(=O)N",-10.886429388270471],["(-c3cccc(C#N)c3)",-10.886455593709258],["N3CCSCC3)",-10.88646556832373],["▁c1cc2c(",-10.886506073846071],["c1c[nH]c(",-10.886521472621494],["▁CN[C@@H]1C",-10.886656818235815],["n(C)c2=O)cc1",-10.886703324077978],["▁CC(C)=N",-10.88671457130511],["c4nn",-10.886926580618889],["▁O=C(O)CC1",-10.886967275760648],["cc2C)cc1",-10.88697583307416],["n3c(C)n",-10.886979514990571],["C3CC3",-10.88704091353284],["CCCCNc1c2c(nc3c",-10.887094034436704],["[C@@H]3CCC4",-10.887324266974698],["▁Cc1cc(C)c(C)c(",-10.887365366774466],["C3CC3)CC2)cc1",-10.887426512438555],["C(F)(F)F)cc1)N",-10.887564235334072],["c3nc(N)",-10.88763751777256],["C1CS",-10.887706938472364],["CCl",-10.887751512800236],["=C(C#N)C1",-10.88813246483225],["(Cc1ccccc1)C",-10.88817485623743],["▁O=C(O)CC(NC(=O)",-10.888204694038231],["c2c(O)cc(O)cc2O",-10.888426647110922],["▁O=Cc1cc",-10.888567316906894],["C3=C(C",-10.888643383846745],["CCc1cc",-10.888655012933045],["CC(n2cccn2)C1",-10.888735714749156],["C2(c3ccccc3)CC",-10.888998222275772],[")N1CCC(C",-10.889020577041633],["c3c(ccc4ccccc43)",-10.889612568670888],["c(-c2nnn[nH]2)c1",-10.88970828443355],["N1CCC(C)CC1",-10.889739056004084],["C(=O)N(C)C(=O)",-10.889762935922317],["=NC1",-10.889908288040496],["c(NCCO)n",-10.889923313979915],["[C@H](Cl)",-10.889983864925348],["c3c(OC)c",-10.890066504907168],["C2CC3CCC(C2)N3C)",-10.890275356437606],["[nH]n",-10.890326820513708],["c2oc(=O)ccc12",-10.89068536839218],["/C=C1\\C",-10.890692383779635],["[C@H]2[C@H]",-10.89079810339102],["ccc(-n2ccnc2)cc1",-10.890859429603486],[")Nc1ccc(Cl)cn1",-10.890894598988009],["n2cnnc2)",-10.890913484543464],["C1COc2ccccc2O1)",-10.890961414841032],["C(=O)NCc3cccs3)",-10.891146794224872],["C2CCCN(C(=O)C",-10.891245166827725],["▁Nc1nnc(SC",-10.89133739266586],["CSc2nnc(-c3ccc",-10.891432968609536],["▁O=C1NCCN1",-10.891435943559667],["▁CC(O)(C(=O)N",-10.89146482594117],["N1CC[C@H](F)C1",-10.89153954847767],["CCCN21",-10.891641969813818],["nc3ccccn23)cc1",-10.891651952740752],["▁N=C(N)c1cccc(",-10.891735921017885],["N[C@H]1CCOC1=O",-10.891814722295996],["cc(S",-10.891927325393002],["▁COc1cccc(Nc2nc",-10.891942704660664],["c3c(=O)n",-10.89198324205165],["(-c2ccccc2)",-10.892092423320989],["Cn2cccn2)",-10.89210417719331],["▁CN1C(=O)CC",-10.892156832571729],["▁O=C(N/N=C/c1c",-10.892341715951137],["c3ccc4[nH]ncc4c3",-10.892530222183652],["c4sccc4",-10.892601772445076],["▁COc1ccc(NC(=S)N",-10.89273084572441],["▁Cc1ccc(C(O)",-10.892792006622985],["▁C[S+](C)C",-10.892798381876382],["CCc2ccccc2)n1",-10.892866882987356],["▁O=C(N/N=C/c1cc",-10.892885376150398],["n(C)c2=O)",-10.893137031823008],["cccn12",-10.8931413186222],["▁Cc1nnc2",-10.893155345755083],["▁c1csc(",-10.893225733148943],["▁Cc1ccc(N(C",-10.8932519170137],["ccc(=O)[nH]c2=O)",-10.89326649205544],["▁Cc1nn(-c2cc",-10.893280477028505],["c2[nH]c3ccccc3",-10.893286613813933],["CCN1CCCCCC1",-10.893312614878797],["c3)n2)c1",-10.893408809945],["c2cn(-c3ccccc3)n",-10.893544831809344],["c2nnc(-c3cc",-10.893587342768678],["C(=O)CN2C(=O)",-10.893719680391005],["NC(=O)Cn1cc",-10.893742749706172],["CCCCC)",-10.89394745450665],["c(C(C)=O)c1",-10.893956449891942],["(C)c(N(C)C)c1CNC",-10.894010579720243],["c(NC(=O)CO",-10.894063762154673],["CC(C)(C)CC2=O)",-10.894152201949458],["C(=O)[C@@H](C)",-10.89415773257542],[")c21",-10.894210437134769],["c3ccc4c(c3)CCC4)",-10.894259407016854],["c3c2)n1",-10.894269413242585],["c1ccccc1C)",-10.89432843793917],["C2=NCCS2)",-10.89449140034584],["▁Cc1ncsc1",-10.894621187027797],["▁CN[C@@H]1CCN(",-10.894623184315575],["C[N+]1(C)CC",-10.894694838938866],["▁Clc1cccc(N",-10.894762683252758],["c4cccc(O)c4",-10.89512386260504],["C(=O)C1CC1",-10.89545913179705],["c2ncc3c(n2)",-10.895674997790522],["1CCCc2ccccc21",-10.895752733737169],["NCCc1ccccc1",-10.895834877177696],["c2nc3nc",-10.895861767825746],["▁O=C1c2cccnc2",-10.895937151392996],["c2ccccc2)cc1.Cl",-10.895971868298885],["▁COc1c(C)cnc(C",-10.896015014968771],["▁COc1ccc(-c2cs",-10.89603515484633],["CCCN3",-10.8961048977009],["CCF",-10.896163271842642],[")CN2",-10.896282062259203],["cc3)nc12",-10.89633302522262],["C(=O)C2C",-10.896351537214532],["▁CNc1ncnc2c1ncn2",-10.896667796849838],["Cn1cccn1",-10.896762091094311],["N(c3ccccc3)",-10.896814863479404],["CCC1CCCCC1",-10.896851948517975],["▁Cc1ccc(-c2csc(N",-10.897023621485491],["▁C#CCC",-10.897176688178858],["C(=O)c1c[nH]",-10.897188432407926],["[C@@H]2Cc3ccccc3",-10.8972369379266],["c2cc(N)c",-10.897249331410848],["C2=O)c(Cl)c1",-10.897282044961557],["[C@@H]3[C@H]4CC",-10.89740149640848],["-n1cccc1",-10.89744319361144],["Cc2ccccc2)c",-10.897537878961977],["c2ccc(F)cc2)cs1",-10.89792210099063],["c3cc(O)",-10.897933452154556],["C(=O)CS(=O)(=O)",-10.898044336613683],["COc2ccc3c(c2)CC",-10.89843853585343],["c2ccccc2)cc1Cl",-10.898621577001574],["c3ccccc3)C(=O)N2",-10.898684452459149],["c1ccc2c(c1)C(",-10.898731848498793],["Cn3cncn3)",-10.898787864813912],["c2cccc(C(C)=O)c2",-10.898838599171553],["N1CCN(Cc2ccc",-10.898918682636616],["SCCO",-10.89894474241686],["o2)cc1Cl",-10.898964774822888],["cnc2[nH]1",-10.899255134097634],[")Nc1ccncc1",-10.899277884522222],["c(S(=O)(=O)O)",-10.899356539656685],["c1ccc(N=N",-10.899380032166953],["n(C)c2ccccc12",-10.899421794912328],["CCCCCCCCCCCCCCC",-10.899508662020768],["C(=O)NC2=O",-10.899613718604876],["/C1=N/",-10.899750828265455],["c1ccc(N2CCOCC2)c",-10.89975330409209],["cnc1Cl",-10.899840116925782],["(COC)",-10.899906808029383],["C2)cc1F",-10.899930961474617],["[C@@H]2CCN(",-10.900019834414811],["Cn1c2ccccc2c2cc(",-10.900046359813418],["2c(nn1)CCN(C(=O)",-10.900275126616688],["CCN(S(=O)(=O)",-10.900396918784734],["(=O)c1ncccc1C2=O",-10.900417355437984],["O[C@H](C)",-10.900569600944571],["-c1cccc(F)c1",-10.900574115814624],[")[C@H]1CCNC1",-10.900738041309287],["NC(=S)Nc1ccccc1",-10.900890994416232],["=C(O)C1",-10.900946660494055],["c(CC(=O)O)",-10.90105787962445],["▁COc1ccccc1OCC",-10.90116322172106],["NC(=O)CCC(=O)N",-10.90123302701656],["C(=O)NCc3ccccn3)",-10.901241365328511],["oc(=O)c2c1",-10.901425056529614],["-c2ccc(Cl)cc2)n1",-10.90143046990536],["ncnc3c2c1",-10.90174443256591],["C(C(=O)OC)=C1C",-10.901899444572017],["▁Cl.c1ccc2c(c1)",-10.90193647571452],["c1cc(Cl)ccc1Cl)",-10.902110140970912],["c1ccc(Nc2nccc(-",-10.902129146757527],["c2nc(C3CC3)no2)",-10.902203239032556],["/N=C/c2c",-10.902487441813673],["C(=O)c1ccc(O)cc1",-10.902506378685755],["[C@H]3C[C@@H]3",-10.902560299261658],[")CC2)cc1",-10.902579024752413],["ncc3",-10.9027115408829],["CC(C)(C)C3)",-10.902725254516728],["▁COc1cc2n",-10.902863121473445],["cc2)=NN1",-10.902897348042504],["▁CC(C)c1cccc(",-10.90289964831579],["c2ccc(-c3ccccn3)",-10.903199907102785],["▁CSc1cccc(NC(=O)",-10.90334576343121],["[C@H](/C=C/",-10.903352165492375],["nc(C(C)C)",-10.903474782490868],["▁O=C(OCC(=O)N1CC",-10.903491045543223],["c2cc(=O)n(C)",-10.903505787959478],["▁NC(=O)[C@@H]1C",-10.903694394661285],["c1n[nH]c(=O)",-10.903755909512174],["C1(O)CCCCC1",-10.903918987478288],["▁CC(C)c1ccc(C",-10.90419599693588],["▁O=C(NCCCO)",-10.904224482263864],["/C=C/C(C)=C/",-10.904233294034649],["C(O)c2ccccc2)",-10.904247516118325],["▁CC(=O)Nc1cccc(N",-10.904357638796307],["C=C)",-10.904419777865645],["▁C[n+]1ccn(CC",-10.90449964074456],["▁CCn1ncc(",-10.904542899772624],["▁Fc1ccccc1C",-10.904654559866216],["C2CCC(C)CC2)",-10.904854871125352],["c(-c2cccc(F)c2)",-10.904876924120776],["cc2NC1=O",-10.904931847223189],["n2N)cc1",-10.904964416269692],["C1CCN(C)CC1",-10.904984027231588],["Cn2ccnc2",-10.90535326798872],["cc3c2=O)cc1",-10.90536950153574],["c4cnccc4",-10.905388243007389],["CC[C@H]1C",-10.905573237356986],["c5ccc",-10.9056854263187],["▁O=C(O)/C=C\\",-10.905686655608951],["oc2ccc(Cl)cc12",-10.905777946935933],["c1cccc(C#C",-10.90578557464314],["c2c1c",-10.90581687320519],["cs",-10.906271081660158],["▁C/C1=C\\C",-10.90628606939508],["[C@@H](C)NC(=O)",-10.90630971918696],["Nc3n",-10.90635363601372],["c1)C(=O)O",-10.906445391282173],["Nc2c3ccccc3",-10.906514157751],["c(C(C)",-10.906742479999886],["C(=O)NCc2cccs2)",-10.907222925643175],["OCCO)",-10.90722621953948],["=C(c3ccccc3)",-10.907289321485706],["[C@H]1O[C@@H]1",-10.907313730986342],["[nH]n3)",-10.907328506484276],["▁CC1(C)NC(=O)N(C",-10.907381915064136],["/C(=C\\c2ccccc2)",-10.907439028643736],["▁Clc1n",-10.9076265778084],["c2ccc(O)c(O)c2",-10.90789764503148],["C2c3ccccc3C",-10.907937831639313],["C1(Cc2ccccc2)C",-10.90809225096028],["c1nc(-c2ccncc2)n",-10.908114301262202],["n2cccc2",-10.908167786691097],["C(=O)NCc1cc",-10.908408730327814],["▁NC(=O)c1ccc(-",-10.908414257369152],["▁COC(=O)CSc1n",-10.908512791507697],["=C1/C(=O)NC(=O)",-10.908538737517098],["c3cccc(F)c3)CC2)",-10.9086664467688],["C(=O)N1CCN(c2cc",-10.90880550810127],["▁O=C1NC(=O)C2(CC",-10.908856866060267],["▁Cc1nc(C)c(C",-10.908969458855177],["▁COc1cc(Nc2nc",-10.9089762538229],["S(=O)(=O)N2",-10.908993665753208],["c1ccco1)N",-10.90921505687909],["C(=O)O)c(O)c1",-10.909487347533071],["▁CC1=C(C)",-10.909550391551672],[")CCNCC2",-10.909850631465847],["CCCC/C=C\\CCCCCCC",-10.909947833751094],["s2)nc1",-10.910086035570425],["▁O=C1NC(=S)",-10.91016486430274],["[C@]3(C)CC",-10.910238908216584],["▁Cn1ccnc1SC",-10.910579730642116],["CC(C)C)cc1",-10.910917949269315],["(=O)[O-])N2C(=O)",-10.910988500553852],["-c1nc2ccccc2s1",-10.911076506643012],["CCN1C(=O)CC",-10.91115387033227],["c3cc(C(=O)N",-10.91119081683386],["2CCN(C(C)=O)CC2)",-10.91120594042979],["nc2O1",-10.911261262908068],["([nH]c5ccccc45)",-10.911305677227832],["c3nnc(C",-10.91139153111725],["C(C)=O)ccc1O",-10.91146268084385],["▁c1ccc2[nH]c(",-10.911484655870243],["/c2cnn3c(NC4CC4)",-10.911548736932383],["[B-]",-10.911558877272313],["▁CC[C@@H](CO)N",-10.911562860045482],["c2ccccc2)CCN1",-10.911669678540935],["C3(CCCC3)",-10.911688703475216],["c3cc(C(=N)N)ccc3",-10.9116908146271],["S(=O)(=O)O)cc1",-10.911808770554718],["c1c(Cl)n",-10.911834492294249],["/C=C1\\CCC",-10.911915154129222],["c2ccccc2c1",-10.911940757417549],["SC(N)=N",-10.911984282419052],["n1c(S)nnc1",-10.91204213256931],["/C=C/c2ccco2)",-10.912104397917414],["C5=O)",-10.912173042656397],["CCN(C)C1",-10.91228170587144],["C2=C(C)",-10.91230878536527],["c2c(NC",-10.912358264846423],["▁COC1O",-10.912371041889774],["▁COCc1n",-10.912578635642738],[")C1=C(O)C",-10.912579145601942],["▁CCCCOc1c",-10.912595481518462],["c3nc4ccccc4",-10.91261712694509],["nn34)",-10.91275948790026],["c(C(C)C)n",-10.912767223301165],["c3)CC2)",-10.912771775683147],["▁C#CCn1c",-10.912828731269066],["c2ccc(=O)n(C",-10.912925320491889],["NC(=O)C(C)N",-10.913107293470796],["C(=O)NCc2ccccn2)",-10.913202781064824],["▁Cl.O=[N+]([O-])",-10.913209209823126],["▁S=",-10.913273352796264],["N(CCc1ccccc1)C",-10.913399846907074],["[nH]c23)cc1",-10.913504604552614],["▁Cc1c[nH]c(",-10.913777288906823],["[C@H](NC(C)=O)",-10.913878393300736],["c4ncn",-10.91388094741221],["c3ccc(C",-10.913995036017605],["▁CC[N+](CC)(CC)C",-10.9140817121164],["1CCC(C(=O)N",-10.914204937382287],["c(C#N)c(",-10.914275105216952],["N3CCOCC3)cc2)cc1",-10.914405192828228],["n1cc(-c2cc",-10.914406505906818],["C(c1ccncc1)",-10.914419213837355],["▁CN(/N=C/",-10.914425100949083],["N(CCO)CCO",-10.914495223975544],["CC)c1O",-10.914547855828369],["C4CCNCC4)",-10.914567147690857],["▁Cc1cc(C)c(CN",-10.914633822394284],["sc",-10.914741855101257],["Cc1cc(O)",-10.91475377510401],["▁Cc1nnsc1",-10.91481284091176],["[C@@]13",-10.914858282821111],[")c2n1",-10.914907910299677],["N3CCc4ccccc43)",-10.914956789171049],["2)ccc1F",-10.915010666946412],["/C=N/NC(=O)c2cc",-10.915344083270485],["/C=C2\\C(=O)Nc3cc",-10.915634753787756],["▁CN1CCC=C(",-10.915641614393582],["c1nnsc1",-10.915668177338844],["c(C(F)(F)F)n1",-10.915811056005332],["▁CN(C/C=C/c1ccc",-10.915848377088109],["c(-c3cnccn3)",-10.915854163821002],["▁CN1Cc2c(",-10.915854211141797],["c3ccc(OC)",-10.915868266671897],["▁Cc1cccc(-c2cc",-10.91588559498724],["Nc2ccc(",-10.915959444266344],["-c1nn",-10.916010478363669],["c3ccc(=O)oc3",-10.916074132740889],["▁NC1=NC(=O)",-10.916143822094732],["c3ccc(Cl)cc3)n",-10.916180670017418],["c(C(=O)N=C(N)N)",-10.916284586882355],["▁O=C1CC(=O)N(",-10.91640650436202],["(COC(N)=O)",-10.91646037136531],["c2n[nH]c(-",-10.916642806580567],["c(C#N)c(N)",-10.916699057089996],["-4",-10.91714205518092],["cc(C(=O)O)c(=O)",-10.917234340446075],["▁CCC1(c2ccccc2)",-10.91723449018604],["/C(C)=N/",-10.917312311080886],["C(=O)c2[nH]",-10.917328546386814],["nc4c3)",-10.917386830094728],["ns1",-10.917400649087728],["CC[C@H](NC(=O)",-10.91744500103077],["▁CCOC(C",-10.917456339227968],["[nH]c2c1=O",-10.917611923750918],["▁NC(=O)c1c(F)ccc",-10.91763757286036],["c2nnc3n2CCCCC3)",-10.917768649650302],["C(=O)C1=C(",-10.917900402567229],["nc2o1",-10.917925685363777],["C(=O)Nc2n",-10.918090239083838],["Oc2ccc(Cl)cc2Cl)",-10.918113124324382],["c-2c",-10.918118786895665],["C1=NC",-10.918221573473586],["CN(Cc1ccccc1)C",-10.918261691353235],["c3cccs3)CC2)",-10.918442481828464],["cc3)n2)cc1",-10.91845302747492],["n2)cc1F",-10.918836218453691],["CSc2nnc(C",-10.918836732404753],["c1c[nH]c2nc",-10.918842518511214],["C1(F)F",-10.91897982507601],["c2nnc(-c3cccnc3)",-10.919020795660533],["▁COC(",-10.91919528021496],["(-c2ccc(O)cc2)",-10.919224277695085],["c1sc(N)nc1-",-10.919291031209536],["ncc1C(F)(F)F",-10.919313399804558],["CNC(C)C",-10.919658029604872],["/C=N/O.[Cl-]",-10.919721741490289],["NC2CCCC2)",-10.91979918684238],["c(-c3ccccc3)[nH]",-10.919875466569668],["23)n1",-10.920004913619646],["(N4CCOCC4)",-10.920024641760817],["CCN4",-10.92005711766248],["▁CN(C)c1ccc(N",-10.920259830982063],["▁COCCOC(=O)",-10.920350783571829],["c1cccc(Cl)c1Cl)",-10.920354180747983],["([N+](=O)[O-])o1",-10.92038598516564],["c2c3ccccc3nc-2",-10.920434361968969],["NCc1ccco1",-10.92045239314654],["▁O[C@H]1",-10.92062082876802],["▁O=C1N/C(=N\\",-10.9206634294763],["c3cccnc3)n2)cc1",-10.920791398879611],["NC(=O)CCC",-10.920824002754198],["C[n+]1c",-10.92082875668196],["c2[nH]cnc2n1",-10.920981239884677],["▁CC(C)=CCN1C",-10.921173944748004],["c1-c1cccnc1",-10.921176694472454],["▁O=C(O)CN",-10.921196790352116],["C(C(=O)OC)=C",-10.92129585798772],["nc(N3CCCCC3)",-10.921597505705588],["▁O=C1O/C(=C\\",-10.921657838956012],["c(OC(C)=O)c",-10.92177419124712],["c2c(F)c(F)c",-10.921785039773614],["CCCOc2ccc",-10.921900483801014],["Cc1c(C)n",-10.921946026433767],["c2ncc(-c3ccccc3)",-10.922092597248856],["CCC#N",-10.922232672097063],["▁COC(=O)c1ccc(-",-10.922279707040484],["c2ccc(-c3cccs3)",-10.922431027117524],["▁O=c1[nH]n",-10.922432826658415],["nc2-c2ccc",-10.9225610698409],["[C@@]23CCC",-10.922581471251284],["34)",-10.923073094444815],[")NC1CCCc2ccccc21",-10.923270433560106],["▁C=C(C)C1C",-10.923299448030331],["3)O2",-10.92330722719348],["▁[11CH3]",-10.923313333373924],["OC12",-10.923343441437847],["c3nc(C)cc(C)n3)",-10.923396602277966],[")Nc1ccccc1C(=O)O",-10.9234336514649],["▁C=C[C@]1(C)C=C2",-10.923575807787469],["c2ncnn2C1",-10.923665935279182],["N1c2ccccc2",-10.923680849565022],["C2c3ccccc3-",-10.923703703378347],["c1oc(-",-10.923704564898514],["▁c1ccc2c(N",-10.923739415912204],["▁O=c1c2ccccc2sn1",-10.923826592461372],["▁CSc1nnc(-",-10.923836201379302],["[C",-10.923870466538542],["n2cc(-c3cc",-10.923916128263276],["c1ccc(N2CCN(C",-10.924006986937664],["▁CCCCN(C)C(=O)",-10.92405085234114],["C(Cl)=C(",-10.924154940346812],["CC(C)(C)CC3=O)",-10.92430824049752],["▁OCC1(C",-10.924342099421974],["c1ccc2cc[nH]c2c1",-10.92441328133398],["c(S(N)(=O)=O)",-10.924421322460253],["C[C@@](C)(O)",-10.924443840128218],["c(C(C)(C)C)n",-10.92465616324784],["C1CCC(=O)N(CC",-10.924691847872689],["c2c[nH]c3ccc(",-10.924847131284288],["▁CC(=O)Nc1cccc(-",-10.924909102033316],["▁O=C(OC1C",-10.925121158418111],["nc2ccc(OC)cc12",-10.925277877989757],["[C@@]4(C)",-10.92531716891476],["▁c1ccc(C2",-10.925323755225364],["OP(=O)([O-])",-10.925324078862433],["N(N=O)",-10.925346294844626],["c(C(C)=O)c",-10.925363090854963],["▁CCN(Cc1ccncc1)",-10.9255564528708],["NC(=S)Nc2ccc",-10.925627274858323],["c3ncccc32)",-10.925763600824478],["▁CCn1c(N",-10.925840634789475],["▁CN1CCC(N(C)",-10.925846706303076],["c2ccc(Cl)cc2c1=O",-10.926188570776729],["c(C)n3)",-10.926207237015776],["c3ccc(Cl)s3)",-10.92632347981449],["C2=NO",-10.92641233677907],["c2c(Cl)n",-10.926578474382955],["c(C(=O)N(C)C)",-10.926585865101057],["c1)c1ccccc1",-10.926676638188969],["(-c3ccc(O)cc3)c",-10.92677016177683],["CCNC(C)=O)",-10.9268081439623],["Cn3cccn3)",-10.926827274551718],["CCOc1ccc(C",-10.92686523058208],["C(=O)C23CC4CC(CC",-10.926948476103137],["▁CCN(CC)c1n",-10.927131348030132],["c2ncnc3ccc(-c4cc",-10.927233690005108],[")CCCC4",-10.927325558980597],["c2c(cnn2-c2ccc",-10.927406348032177],["c3ncnc(N)c23)cc1",-10.927723321919569],["cc3o2)cc1",-10.927736338625918],["[C@@H](C)O1",-10.927962994844156],["▁Nc1ncnc2c1c(",-10.92803655933302],["C=C\\",-10.9280772991731],["[C@]12C=C",-10.928094844128111],["c2nc(-c3ccccn3)n",-10.928124707763155],["N2CCCC2)C1",-10.928152669783156],["c4ccncc4",-10.928174146453092],["n3nnc4ccccc43)",-10.928195073910276],["c(-c4ccccn4)",-10.928243003885392],["c(/C=C/C(=O)NO)",-10.928243884913783],["▁Clc1cc(Cl)cc(",-10.92837504770972],["N/C(=N\\",-10.928400761894457],["▁CS(=O)(=O)c1ccc",-10.928436410977046],["(OCCO)",-10.928446703480152],["[C@@]4(C",-10.928450743188565],["▁CC(C)NCC(O)",-10.928850131939356],["C(=O)NCCN(C)C)",-10.928864887643128],["CC/C1=C\\",-10.92891154210643],["▁Cc1ccc(C(=O)NCC",-10.929063814816224],["/N=C1\\CCC",-10.929098502321638],["(OCc3ccccc3)",-10.929206575386564],["▁c1csc(C",-10.929264286699922],["c3cc(F)ccc32)",-10.929370165015392],["▁C=C[C@@]1(C)CC",-10.929476375402114],["c2nnc(-c3c",-10.929518606342713],["C1=CC(=O)c2",-10.929634644306237],["c1n[nH]c2ccccc12",-10.92981419021099],["C(=O)N2CCC(C",-10.92995049809392],["C2)c2ccccc21",-10.929971365169742],["[C@H]2[C@H]1C",-10.93024284801556],["n2cccc12",-10.930254115040452],["3CCc4ccccc43)",-10.930339551924323],["CNC(=O)c1ccc(",-10.930409677461494],["c2c(O)ccc(O)c2",-10.93056152780292],["CC(=O)[O-])",-10.930895132278486],["[C@@H](Br)",-10.93103135863917],["Cc1ccc(O)cc1",-10.9312728167141],["c(C)nc12",-10.93131574471133],["C(=O)C(C)OC(=O)",-10.93143945910797],["▁CC(C)S(=O)(=O)",-10.931599252757152],["▁CC(=O)NC(C)",-10.931671901322694],["N2CCC[C@H]2",-10.931724727666476],["▁Cc1ccc(CN2C",-10.93187962046343],["c2c(C#N)c",-10.93190297843775],["c2cc(C)on2)cc1",-10.931952786111918],["cc43)",-10.931977981828124],["▁CC(C)[C@@H]1CC",-10.931996762241052],["n(C)c1C",-10.932073955947034],["cc2O)cc1",-10.932117493495248],["OC(Cn1ccnc1)",-10.93239972789504],["c3ccccc3)nc12",-10.932521815935775],["Nc2ncnc3c2cnn3",-10.932590446466667],["c(-c2ccco2)n",-10.932690137290916],["▁O=C(c1cnccn1)N",-10.932779691143306],["[C@H]2CCCN2",-10.932790723739252],["CC(O)c1ccccc1",-10.93280461011835],["COc2ccc(C",-10.932844887243537],["▁Cc1c(-c2ccc",-10.933116538255804],["c2ccco2)C1",-10.933230847292036],["1CCOCC1",-10.933355723923812],["c(O)c2n1",-10.933449991919767],["CC(=O)N1CCCC(",-10.93348966364324],["[C@@H]1O[C@H](",-10.933509949246105],["1CCC[C@H]1C#N",-10.93366202434445],["NNC(=O)c1ccncc1",-10.933796145783006],["c(-c3ccc(C(=N)N)",-10.93387362238972],["c1ccccc1S2",-10.933908597256767],["(NS(=O)(=O)",-10.933924725816642],["▁CC(C)n1c(",-10.933934912872475],["C=C4",-10.934011893385769],["c2cc(=O)c3ccccc3",-10.934141218208309],["1)CCCC2",-10.934274950272489],["c2ccc3[nH]cnc3c2",-10.93428062059964],["C/C(C)=C/CC",-10.934313873297812],["▁CCc1ccc(NC(=O)C",-10.93434264021858],["▁CC(C)CC(NC(=O)",-10.934601874605294],["▁CCCc1nnc(NC(=O)",-10.934607115077462],["c2cc3[nH]",-10.934612902090514],["c(-c3ccccc3C)",-10.934645804684411],["c1ccncc1)CC2",-10.934678704584655],["C(c2ccccc2)=NN1",-10.934694139236784],["ccn(C",-10.934709150798652],["c1ccccc1OC)",-10.935182342876008],["=C(/",-10.935255926129445],["▁CC(C)c1ccc(OC",-10.935276769230416],["n3cccc23)CC1",-10.935385264903292],["ccc4[nH]3)",-10.935387421339534],["COc1ccc2ccccc2c1",-10.935502183405127],["c(-c2cccnc2)",-10.935559331701969],["Cc2ccccc2)o1",-10.935628394406748],["cn21",-10.935774170626049],["NCCS",-10.935776173035364],["CCC[C@@]23",-10.935791289448645],["C2C=C(",-10.93591754832753],["c3ccccc32)cc1OC",-10.93604379972555],["c4cc(OC)ccc4",-10.936108447906332],["P(=O)([O-])[O-])",-10.936150946822034],["n1ccc(=O)[nH]c1=",-10.936228213024638],["C(=O)Nc1ccccc1Cl",-10.936240945090455],["Cc1ccc(Br)cc1",-10.936409266964985],["▁O=C(c1ccccc1F)",-10.936489959618475],["/N=C/c1ccco1",-10.936530215722165],["n(O)c1=O",-10.936556476863949],["CC2COc3ccccc3O2)",-10.936585990452944],["c1cc2sccc2n1C",-10.93661843033667],["CCCCN1CCN(",-10.93666344008049],["c2ncnc(N)c2",-10.936718432898124],["CCN1c2ccccc2S",-10.93675265154639],[")N2C",-10.936753046351615],["c3ccccc3nc12",-10.937250940483134],["c3ccccc3)ccc2",-10.937275628452408],["c2cnn(C)c2",-10.937356331227727],["c2ccc(CN3CCCCC3)",-10.937370501606395],[")C(=O)N(C)C1=O",-10.937401536119356],["c1cccc2cc",-10.93741334998833],["▁Cn1ccnc1C",-10.937457319217806],["cc2ccccc12",-10.937581208823271],["n4C)",-10.93775702436307],["-c1ccccc1CC2",-10.93779891658552],["nnc2-",-10.937949046862965],["C2)C",-10.93799044729479],["c2c(c1O)",-10.93807410569588],[")NC1CCN(C",-10.938125949186528],["N/N=C2\\C(=O)N",-10.938156434581336],["▁Clc1ccc(S",-10.938380808484808],["▁Cc1nc2c(OC",-10.938386579102632],["-c2ccc(F)cc2)n1",-10.938387637651918],["▁CCCCCCOC(=O)",-10.938536362985817],["c3nonc3",-10.938576373804704],["▁CC1=C(C(=O)",-10.938638637873533],["C42",-10.938799532622202],["OC3(C",-10.93882346277626],["c1ncnc2c1CCN(",-10.938845368006524],["c32)c1",-10.938851126057848],["▁CNc1nc(",-10.938976973645628],["c(=O)[nH]1)N",-10.93898089766985],["c2ccc(O)c(Cl)c2)",-10.939008679356055],["C(C)C(=O)N",-10.939013319678082],["cc(Cl)c(C(=O)N",-10.939173204318044],["(C(F)(F)F)ccc3",-10.93926771301029],["2CCCc3ccccc32)c",-10.939405366174311],["▁C#Cc1ccc(",-10.939650492839789],["c3ccccc3Cl)CC2)",-10.93979365615009],["▁CN1CCN(c2c",-10.939795286104031],["nc4)",-10.939882608950462],["NC(=O)COC(=O)CC",-10.9399263601277],["COc3ccc(Cl)cc3)",-10.939932982627951],["NCCCO",-10.94000815852702],["c2c(C)cc(C)",-10.94016130778731],["Cc1ccc(O)c(OC)c1",-10.940288128365676],["c[n+]3",-10.940304211208572],["=C(C(=O)[O-])",-10.940353238608925],["c1cc(N2CCOCC2)n",-10.940470151439852],["▁Cc1ccnc2c1",-10.940529102594988],["c1ccc(-c2nnc(SC",-10.940584620029616],["c2nc3ccccc3n2CC",-10.940590776406438],["Cc1ccccc1.Cl",-10.940612923947835],["▁Cc1ccc(CS",-10.941093298166294],["N2CCCC3(C",-10.941138107056249],["▁N#Cc1ccc(Nc2ncc",-10.941465754573766],["▁O=C(c1ccccc1)N1",-10.941590978513968],["CC3)n2)cc1",-10.941639866550728],["c2)C(=O)OC1=O",-10.94167684839486],["▁CCc1nnc2n1CCN(",-10.941781384160052],["c(CC)c",-10.941837718929566],["CCCCC(=O)",-10.941866731376162],["CCC2=O)cc1",-10.94187099695868],["CN4)",-10.941878197011013],["c2ccncc21",-10.941915744832162],["n4)",-10.941921368757876],["[C@]31",-10.941947740275042],["▁COc1cc2cc",-10.94203496371427],["c2ccc3[nH]c(=O)",-10.942050759391243],["CC(=C)",-10.942238490599388],["c3ccccc3n2)",-10.942269265080604],["▁CCc1ccc",-10.9422743843587],["CCN3C(=O)",-10.942414676401228],[")c2cc1OC",-10.94249890140576],["▁O=C(O)C(=O)O.",-10.942536711256867],["▁O=C(O)COc1cc",-10.94256121030778],["(-c2ccc(O)cc2)n",-10.942562307439657],["OCC(C",-10.942611606056534],["Sc1nc",-10.942611731268103],["NC1=CC(=O)",-10.942626316655373],["Nc1nccc(-",-10.942716951584936],["c2cccc(-c3cc",-10.942836461469607],["▁CC(C)(C)C(=O)O",-10.942928027091693],["c(-c2ccc(C)cc2)",-10.943016968573204],["-c2ccccc2Cl)o1",-10.943039727292271],["c2nccnc12",-10.943210306454178],["c2[nH]c3c(c2c1)",-10.94336642917555],["c(C)n(C",-10.943425109877944],["N2CCCCC2",-10.943468019196295],["N=C2N",-10.943506526673112],["▁COC(=O)[C@]1(",-10.943580446154792],["n1c(=O)n(C)c(=O)",-10.94364553396688],["C[C@@H]32)cc1",-10.94374854352677],["c(C)c(OC)",-10.943865134620143],["C(=O)[C@H](C)",-10.943891931450246],["nnc(O)c2ccccc12",-10.94394749116422],["▁COC(=O)[C@@H](N",-10.944069317367768],["c3ccccc3S",-10.94414059462836],["▁Cc1cc(C)cc(O",-10.944181869443046],["▁Cc1cccc(N2CCN(C",-10.944198876145403],["▁COc1ccccc1C1C",-10.9442153598351],["▁CCOc1ccc(-c2n",-10.944292921876746],["c1cncn1C",-10.944397259164724],[")[C@@H]1CCN(c2nc",-10.944433889230444],["(O)c(O)",-10.944530267205424],["/N=C(\\S)",-10.944729754924197],["c2nnc(O)",-10.944794911773698],["3)cccc2c1",-10.944829024536965],["▁CN1C[C@@H](",-10.944904440855272],[")nc2c1",-10.944916488133831],["C=CC3",-10.944998469184483],["▁CC(Oc1cc",-10.94500721711853],["[C@H](O)[C@H](",-10.945084061770466],["CCCCC(=O)NO)",-10.945138459519754],["CC(N(C)C)C",-10.945317412180854],["c3cc(-c4cc",-10.94533613696445],["c1ccn(-c2ccc",-10.94539976707291],["=O)c3ccccc3oc2c1",-10.94542784566486],["C1(CCC",-10.945695817646715],["c1cccs1)N",-10.945731276013618],["c1ccc(B(O)O)cc1",-10.9457509022041],["▁CCn1c(C",-10.945781471581212],["c3ccccc3C2)cc1",-10.945866070889434],["c1ccc(C#Cc2ccc",-10.945890286934247],["c2c[nH]cn2)c1",-10.945916061327054],["c4ccsc4)",-10.945928517652728],["C2=C(Cl)C(=O)",-10.945953884235337],["cc(=O)[nH]1",-10.94637378474053],["▁Cc1cc(CN(C)",-10.946577841915438],["c1ccc2c(n1)",-10.946932216156316],["▁NC(=O)c1ccc(O",-10.94700749244388],["/C=C1/C",-10.947011500743852],["▁COc1ccc(Cl)cc1-",-10.947019125312211],["▁Cc1cc(C(=O)OC",-10.9470476908547],["▁c1n",-10.947114545403076],[")c1cccc(C)c1",-10.947185514819491],["nn2)n1",-10.947197290939584],["▁CC(Cn1cccn1)N",-10.947383066890223],["N=C2N1",-10.947491981451115],["c1c[nH]cn1)C(=O)",-10.947499809562808],["(c1ccc(O)cc1)",-10.947592120321334],["n(C)c(=O)n3C)cc1",-10.94760581345544],["▁C/C(=N\\NC(=N)N)",-10.94773876905803],["▁COc1nn(C",-10.947782501087472],["4)cc1",-10.947823022977673],["C[C@]21C",-10.947928970581994],["c2csc(N",-10.947938760779898],["nc(-c2ccccc2)no1",-10.947960596221757],["▁Cc1cc(Br)c",-10.948010931012591],["NC(=O)CSc2nn",-10.948177239414656],["▁O=c1c(O)c",-10.948605047553228],["▁O/N=C(/",-10.94864642401364],["(C3)C1)C2",-10.948670829354628],["C(CS)C",-10.94867784863726],["/C=C\\C=C\\",-10.948745112270664],["c2cn3ccccc3n2)",-10.948775507345136],["C1=C(Cl)",-10.949174853184893],["C2)cc1Cl",-10.949219018524218],["c2c(ncn2C",-10.94923482016546],["▁Cc1nc(C)c(-c2cc",-10.949278693477474],["C1N=C(c2ccccc2)",-10.949297262115866],["▁O=Cc1ccc(",-10.949299789997298],["▁COC(=O)c1ccc(O",-10.94942578408176],["CN(c1ccccc1)",-10.949441262993457],["C(F)(F)C(F)(F)F",-10.949574914002868],["C[C@H]2CC[C@H](",-10.949585083944786],["Oc3cc(O)cc(O)c3",-10.949680264095385],["C(CC(=O)O)NC(=O)",-10.949775916955431],["▁Cc1cc(Nc2ccc",-10.949785294375308],["Nc2ccccn2)cc1",-10.949914216232196],["c1cc(C(=O)O)cc(",-10.949946239927153],["▁CON(C)C(=O)",-10.950037739389074],["P2(=",-10.950037953190282],["[C@@H]13",-10.950129189133536],["N[C@H]1CC[C@H](",-10.95014751255472],["CCO2)cc1",-10.950210604024862],["C=C(C(=O)O)O",-10.950262026566891],["C(C1CC1)C1CC1",-10.950305216906672],["CCN1CCNCC1",-10.95034884219627],["c3ccc(C#N)cc3",-10.950434249012655],["c2CO1",-10.95049335750075],["▁Cc1cccc(CN2CC",-10.950503245854172],["c(-n2cc",-10.95051354138542],["(-c3ccc",-10.950644890109483],["▁COc1cnc(",-10.950697190394928],["2)OC1",-10.9507687578126],["c4cccnc43)",-10.9508004674759],["2CCOC2=O)",-10.950859197692118],["NC(=O)CN2CCN(",-10.95087588434286],["CCN2CCC(",-10.951214958637593],["NC(=S)NC(=O)C1=C",-10.951298976629031],["▁Cc1cccc(Cl)c1N",-10.951389352368384],["=NN2C(C)=O)cc1",-10.951407914742823],["Nc1nnc(-c2ccc",-10.95146599188333],["(-c2ccccc2)[nH]",-10.951473237742013],["▁CN(C)CCOc1ccc(",-10.951517385796942],["/C(=C/c2ccccc2)",-10.951591706332527],["([nH]c3ccccc32)",-10.951679173397755],["c3c(cnn3",-10.951694543681722],["ccc32)",-10.95190192355356],["C[n+]2cc",-10.951955446241012],["nc(-c2ccncc2)o1",-10.952046124539578],["▁CN(Cc1cccnc1)",-10.952055654080292],["cnc32)cc1",-10.952334050925243],["▁CCOc1ccc(/C=C/",-10.952458237491696],["▁Cc1ccc(C(=O)O",-10.952472639044732],["▁CCO/N=C/",-10.95251713331901],["(C)(C)C",-10.952622534754944],["[C@@H]2N",-10.952772360869057],["OCCO4)",-10.952893115060458],["▁COc1ccc(C(C)",-10.95291675700332],["▁Cc1c(C(=O)O)",-10.95300380121266],["c(C4CC4)",-10.953085127438946],["C(c2ccccn2)",-10.953164945611622],["▁N#Cc1cccc(-",-10.953183947095022],["c2cccc(OC)c2OC)",-10.95325144267306],["o2)cs1",-10.95330276250904],["C1CC=CCC1",-10.953355585040136],["C(=S)NC",-10.953420858960438],["c(OC)cc12",-10.953503391557968],["▁C=C=C",-10.953566906545465],["▁NCCO",-10.953589878583074],["▁C#CCOC(=O)",-10.953688422057912],["c1ccccn1)N",-10.953702897183742],["N1C(=O)C2",-10.953732411172163],["▁C=CCOc1cc",-10.953735661393509],["c4[nH]3)",-10.953744863727714],["c3[nH]ccc23)",-10.953785209040156],["C[C@@H]2CC",-10.954068287322624],["N1CCN(C(=O)c2ccc",-10.954087511262252],["c2ccc3c(C)c",-10.95409037374618],["nc(Cl)nc21",-10.954381816701376],["(C2CCCC2)",-10.954433734011603],["C(c2ccccc2)=C(",-10.954479025533653],["CN(C(C)C)",-10.954559414628871],["nnc1C1CC1",-10.9545792220174],["▁c1ccc(CS",-10.954585890790156],["CCNCCO",-10.954768498704109],["[C@H]2C[C@@H]3",-10.954788132256027],["c2cc(S(N)(=O)=O)",-10.954865850319784],["Oc2ccc(Cl)cc21",-10.954970689367896],["ccc31)",-10.954973894354918],["▁Oc1ccccc1/C=N/",-10.954976514868452],["c3n(c2",-10.955025295247353],["c2c(F)cc",-10.955038765864186],["C1(c2ccccc2)C",-10.955135906849645],["▁Cc1ccc2o",-10.955140956628789],["CCCCCC2",-10.95515675292257],["▁N#Cc1ccc(-c2cc",-10.95539353227908],["c1cc(Cl)c(Cl)cc1",-10.9554831068688],["c2c(-c3c",-10.955630873544717],["▁S=C(N/N=C/",-10.955662097692146],["▁COCC(C)N",-10.95587983726604],["▁CC(=O)N[C@H]1",-10.956033126763376],["CN1Cc1ccccc1",-10.956044648730536],["c(=O)c1O",-10.95622025283721],["c5[nH]",-10.956331575139505],["C(=O)C(C)C",-10.956341005961074],["c1cccc(NC(=O)N",-10.95672879850723],["Cn2cnc3c(",-10.956804512124831],["▁Cn1c(NC(=O)",-10.95680701368338],["c(NCCN(C)C)",-10.956838991816303],["C1=",-10.956884560275792],["C(=O)N2c3ccccc3S",-10.957115993397888],["C3)c2n1",-10.95734512573614],["c2cccc3ncccc23)",-10.95743755580861],["C)CC3)",-10.957486502188292],["▁O=C(/C=C/c1cc",-10.957511594816374],["▁N=c1s",-10.95754917855465],["[nH]n2)",-10.957661804364424],["c(OC(F)(F)F)cc3)",-10.957924358412328],["▁N#CC1=C(N)",-10.95793365864894],["N3)cc1",-10.958032575960209],["▁CS(=O)(=O)N1C",-10.958201131558036],["CCN3CC",-10.958222593568504],["c(NC(=O)c2ccc",-10.95831634414983],["C32)cc1",-10.9583630607166],["ccnc2O1",-10.958379301628552],["c3ccccc3)C2=O)",-10.95843304829414],["C(O)c1ccc(",-10.958484672230403],["c1ccc(-c2cn3c",-10.958527755354067],["n3nc(-c4ccco4)nc",-10.958662417501056],["c3nc4ccccc4n3",-10.958720035311345],["(Br)Br",-10.958726363641858],["C[C@@H](N",-10.95873352424532],["=C(C#N)",-10.958771275178089],["C(C)=O)c(O)cc1OC",-10.95878171991154],["▁Cc1csc2nc(",-10.958881365866311],["▁CC(C)CN1CC",-10.958959048351124],["(CN3CCCCC3)",-10.959187232128375],["c1c(-c2ccccc2)c",-10.959222078415024],["▁Cc1nc(CN2CC",-10.959264492728355],["CC2)nc2ccccc21",-10.959438287742351],["c(c32)",-10.959478926025264],["[C@H]1O[C@H]1",-10.959517411275986],["▁CC(C)NC(=O)N",-10.959537347285732],["cc(C(=O)OC)c1",-10.95957331396676],["Nc1c(Cl)cccc1Cl",-10.959611990933158],["c(CN4CCOCC4)",-10.959711892115603],["c3cc(F)c(F)cc3",-10.959733991620418],["C/C(C)=C/C",-10.95978792289247],["[C@H]2CC[C@H](O)",-10.95981360672117],["c(CN)c",-10.960224363777591],["▁CCc1cccc(CC)c1",-10.960271189747612],["▁CC1=CC[C@@H]2",-10.960434142904123],["c1ccc(Br)cc1)N",-10.960562225768136],["▁CCCCCCCCc1ccc(C",-10.960600311611431],["C[C@H]3O",-10.960635795653758],["▁CCN=C(S)N",-10.960649348356558],["C(C)C)cc1OC",-10.960671383014253],["c1ccccc1)c1ccco1",-10.960683891144766],["C(=O)N2CCCC(N",-10.960744727500266],["▁Oc1cccc2c1",-10.960780455966342],["5)cc34)",-10.960929062465103],["2)cc1O",-10.96099769558358],["c2nc3ccc",-10.961186794515232],["c3c(C)noc3C)",-10.961270349864868],["n2cnnc12",-10.961381819354138],["▁Cc1c(C)c2ccc(OC",-10.96146177817363],["▁Cc1cnn(CCNC",-10.961474654423018],["▁NC1CCN(",-10.961501126543531],["=C[C@@H](",-10.96152569992038],["c3ccccc3)nc2",-10.961590146994094],["▁Cn1c2ccccc2c2c",-10.96175049944712],["csc1N",-10.961766329370324],["2CCCCCC2)",-10.96177968275624],["▁C[C@H]1CCC",-10.961835724129555],["[N+](",-10.9618362075855],["n1ccc(N)nc1=O",-10.961871214764187],["c1ccc(-c2nn",-10.96202770997014],["[C@@H](N)CC",-10.962130716018695],["▁C=C(Br)",-10.962176104761138],["(=O)c3c2CCCC3)c1",-10.962231754485003],["C(C)C)C1",-10.962237156606802],["[C@H]1Cc1ccccc1",-10.9623451013191],["oc2ccc(O)cc12",-10.962408133117716],["OCCO1",-10.962414612169532],["nc(N)n2)CC1",-10.962535378391571],["c2ccccc2[n+]1C",-10.962568654285132],["c3nc12",-10.962632413278303],["[C@H]2CC(=O)C=C(",-10.962666572863633],["N4CCOCC4)",-10.962796373321982],["OCC3)",-10.96288640216114],["[nH]c4ccccc34)C2",-10.962914079106731],["c1ccc(-c2cnc",-10.963010838146024],["C(=O)O)c2c1",-10.963032270889691],["N/C(=N\\C#N)N",-10.963126026259744],["(c2ccccc2)CC1",-10.963176467783654],["COc1ccc(C(=O)N",-10.96320457969846],["c2c(F)cccc2F)cc1",-10.963428248942304],["[C@H](C(=O)NC",-10.96354314982596],["C(c1ccccn1)",-10.96356826315922],["/C=C/c1ccco1",-10.963723918237314],["c(F)cc12",-10.964042482266418],["c4no",-10.964126064478595],["c1cccc2c1O",-10.964153304384672],["▁Cc1cccc(-c2nc(C",-10.964154858226667],["c3cc(C)n",-10.964159461620987],["C1CCCCC1)C2",-10.964213854375387],["CN(CC)CC)",-10.964288261597716],["c3ccc(F)cc32)",-10.964448725447916],["c2c1.Cl",-10.964473195632852],["-c2nn[nH]n2)cc1",-10.964482776850751],["-c1[nH]",-10.964678067123202],["SC3",-10.964691949479011],["(Oc1ccc(Cl)cc1)",-10.964736766434386],["c(C3CCCCC3)",-10.964828622945902],["OCCc2c1[nH]c1c",-10.96497691243612],["cc(O)c3",-10.965135496795844],["cc2ncn(C)c(=O)c",-10.965163708264262],["N(c2ccccn2)CC1)",-10.965262172726831],["c2ccc(C3",-10.965369415342591],["[C@@H]3O)",-10.96538447713152],["C31",-10.965408209236582],["cc32)CC1",-10.965436672842632],["CCc1c-2",-10.965683118708656],["▁CNC(=O)[C@@H](",-10.965685560301992],["▁CCc1noc(C",-10.965785753841908],["▁c1coc(-c2n",-10.965935891282246],["▁CCC[C@@H]1C",-10.965995186742902],["-c1ccc2cc(NC(=O)",-10.96601371445351],["CSc1nc2ccccc2o1",-10.966172777812275],["▁O=C(O)C(=O)C",-10.966195207094746],["N(Cc2ccco2)",-10.966313549169724],["▁CNC(=O)O",-10.966348725317935],["n2nnnc2",-10.966487594809198],["n2)c",-10.96652434504432],["▁CC1=C(/C=C/",-10.966705915778396],["▁CC(C)c1ccccc1N",-10.966768321228503],["c1c(C(=O)O)[nH]c",-10.966770566267344],["c2nc3ccc(F)cc3",-10.966776381812384],["▁O=C1c2ccc(",-10.96687324218402],["▁CN(c1ccc(",-10.967125926089686],["O)cc2)cc1",-10.967137029602709],["c2)c(O)c1",-10.967436268984509],["C(C)(C)C1=O",-10.967526535982296],["[C@@H](N)CC(=O)O",-10.967571802038428],["c(CO)n",-10.967601139647208],["[C@@H](C=O)",-10.967656150257763],["cc2)N1",-10.967843310900069],["O)c2c1",-10.967843940129196],["C(=O)NN=C",-10.96785994264646],["▁O=C(C1CCC1)N1CC",-10.96786159303138],["c2ccc(-n3cccc3)c",-10.967866193814208],["▁C#CCOc1ccc(",-10.967920326764734],["▁NC(=O)N/N=C/",-10.96792262855418],["(C(C)(C)O)",-10.968011452000692],["C)ccc1O",-10.96804013341514],["▁Nc1ccc(-c2cc",-10.96807671279496],["▁CCN(C)C",-10.968120234050776],["c3cccc(N)c3)",-10.968190527161928],["c2=O)C[C@@H]1O",-10.968320901333955],["C[C@H]1C(=C)C",-10.968463298812294],["▁C/C1=C\\",-10.968514292154882],["OCC3",-10.968574691249646],["[C@H]5C",-10.968594487242726],["▁c1cc(-",-10.96867164119262],["Sc2n",-10.968793781717212],["c(N[C@@H]2C",-10.96881863157138],["1)C3",-10.96884716594092],["▁CCc1cccc(C)c1",-10.968933038008135],["▁N=C(NC",-10.969044101902938],["▁FC(F)(F)c1ccc(-",-10.969153384645288],["OCc1ccccc1)OC",-10.969494793601896],["▁Cc1ccc(CN2CCN(",-10.969674946531567],["▁COc1ccc(NC(=S)",-10.969935457630534],["c(C(C)(C)C)cc1",-10.969956183846872],["nc(SCC(=O)O)",-10.970177328476336],[")C1=NCCN1",-10.970228376986768],["C(CO)O1",-10.970321880273206],["cc(-n2ncc3c(N",-10.970383224761733],["▁Cc1nc(CN",-10.970447557251909],["c(N(C)C",-10.970524928724114],["▁CCC(=O)N1",-10.97053935265354],["c4ccc(Cl)cc4",-10.97054507374364],["▁O=c1ccn([C@@H]2",-10.970648935687043],["▁CNC(=O)[C@@H]1C",-10.970768026624729],["n(CC)",-10.97128485016788],["C(=O)N2CC(=O)N",-10.97130934365184],["=C(Br)",-10.971417543480598],["c2ccc(OC)cc2)C1",-10.971534831104073],["O[C@]2(C",-10.971676994396178],["CC1COc2ccccc2O1",-10.971793461323037],["g",-10.97180708738668],[".F[B-](F)(F)F",-10.971807103308542],["C2CC=CCC2C1=O",-10.971809725445372],["c2c(cc1-3)OCO2",-10.971851897180407],["▁Cn1cnc2cc(-c3cc",-10.971902746086167],["[C@@]1(CO)",-10.972015941911875],["▁C=CCN1CCN(",-10.972090605673056],["c3cc[nH]c23)",-10.972129948863085],["(Cl)cc(Cl)",-10.972202473494685],["▁O=c1c(-c2ccc",-10.972227783472718],["cc2-c2cc",-10.972295275303],["c(NC3CCCC3)",-10.972503242998066],["c3ccco3)n2)cc1",-10.97250550624342],["N(O)C(=O)",-10.972624983284309],["C(O)(C3)C1)C2",-10.972693834259688],["c1ccc(F)cc1)CC2",-10.972708180421144],["N(C(=O)c1ccccc1)",-10.973002912986413],["c1ccc(OCCC",-10.97311198238136],["▁CC1=C(C(=O)OC",-10.973218073113422],["O)o1",-10.973473379089056],["▁Cc1cc2ncn(",-10.97348195072743],["(Cl)cc2Cl)n1",-10.973505082626971],["▁CCOc1ccc(Cl)cc1",-10.973539401903428],["/C(=N\\O)c1ccc(C)",-10.973556295896431],["C(=O)Nc1cc(C)on1",-10.973642747735948],["C1=O)NO",-10.973774348503438],["c1cnc(Cl)cn1",-10.973783175517411],["N1CCC2(CC1)CCN(",-10.97379888406012],["c1nc(C)c",-10.973800855554549],["▁NC1=N[C@@]2(",-10.97380871720003],["▁CC(C)OCC",-10.9738766069214],["▁CS(=O)(=O)C",-10.974044280597449],["N(Cc2cccnc2)",-10.974269530323262],["▁O=c1c2ccccc2oc2",-10.974375221185708],["C(=O)O)cc(C3CC3)",-10.974773814914256],["▁CCOCCC",-10.974847379787462],["▁CN1C[C@H](",-10.974952640677492],["4CCC",-10.974990907422264],["[C@@H](N)CO",-10.974999029081635],["CCN2CCC(C",-10.97506519134178],["n2nc(C(F)(F)F)",-10.975070538399809],["▁CNC1=N",-10.97518791287898],["c(C(=O)c3cc(OC)c",-10.975209997790518],["c1cc(Br)cs1",-10.97522781652477],["c1cc2ccccc2n1C",-10.97530000505607],["N=C2S1",-10.975307542325394],["c1c(C)n[nH]c1",-10.975331514530705],["c(N)c2c1C",-10.975398214506914],["C12CCCCC2",-10.975468387616653],["n(C)c(=O)c1",-10.975520922539658],["[nH]2)c",-10.975538549814711],["c(C2=NOC(C(=O)N",-10.975539102471084],["c2cc(=O)[nH]",-10.975590978631557],["CCNC3",-10.975604363194227],["c1cc(-c2ccc(Cl)",-10.975654951343444],["[C@@H](C)C(=O)O",-10.97568531508234],["cccc2",-10.975709812527624],["OC(C)(C)C=C2",-10.975791463826663],["▁COc1cc([C@@H]2",-10.975820069766314],["c(Cl)c2)cc1",-10.97602102396464],["2)c1C",-10.97640871253525],["c1ccc2c(c1)nc1n2",-10.976484278326552],["c2ccccc2CC1",-10.976534663775716],["CCCOc1ccc2c(c1)",-10.97660043655679],["c1cncs1",-10.97660237231944],["▁O=C(NCC1CCCCC1)",-10.97670681367497],["3)C2=O)cc1",-10.976754804822397],["cc2)cc(OC)c1OC",-10.976782556682778],["▁CN1CCC[C@@H]1",-10.976861929058256],["-c2cc(",-10.97689297076111],["c(NCCCN(C)C)c12",-10.97705628183378],["▁[",-10.977095240909604],["c2ccccc2)=N1",-10.97712949480514],["c1ccc2ccccc2n1)",-10.977246849955309],["(S(=O)(=O)O)",-10.97732427932634],["CCNC1=O",-10.977340712929497],["▁CCCCNc1n",-10.977411474837576],["▁COC(=O)[C@@H](C",-10.977481471499235],["C2=Nn3c(nnc3",-10.977516185792],["c(-c2cc(=O)c3c",-10.977590031111315],["c1c(O)ccc2c1",-10.977654388172551],["CC(c1ccco1)",-10.977688199689789],["C(CC)CC)",-10.97778164276499],["cc2o",-10.977794500894838],["▁COc1cccc(Cn2c",-10.977944810307095],["CN1CCCCCC1",-10.97804515755294],["c2cncc(Br)c2)",-10.978197688852289],["cs3)",-10.978212326699394],["▁Cc1cc(CNC(=O)",-10.978217863982849],["▁O=C(NCCCl)N",-10.978349744347174],["N1CCN(c2nc",-10.978405053542716],["2)c1OC",-10.978518922797694],["▁O=C1CN",-10.978533299281562],["▁COc1ccc(NC(S)=N",-10.978563798486942],["CN3CCC(",-10.97870383318076],["c2oc(-",-10.97874028506432],["n([C@@H]3",-10.978872407956484],["CCNC[C@H](O)",-10.979058737288067],["C[C@H](C)O",-10.97910999615276],["▁CC(=O)N(O)C",-10.979207421422403],["-c2ccc(Cl)cc2)c1",-10.979217518203454],["c5c34)CC2)",-10.979242782406551],["▁c1cncc(-c2n",-10.979282566198613],["(CC(N)=O)",-10.979518804438666],["▁Cc1cn2c",-10.979593207876842],["c1nc2c(c(=O)",-10.979652258004869],["▁Clc1ccccc1-c1n",-10.979804337068394],["▁N#C[C@H]1C",-10.97984347693868],["▁NC1",-10.979848488509866],["c([C@H]3CNCCO3)",-10.97986623210514],["▁N#Cc1c(N)nc(S",-10.980046675244992],["NC(N",-10.98012437743226],["c1ccc(N)cc1)",-10.980272274813396],["c(O)ccc2O)ccc1O",-10.98030992856113],["C(O)=C(C(=O)",-10.980357129263462],["C1CCS(=O)(=O)C1)",-10.980361716121063],["c2cccc(C(=O)",-10.980443705162871],["(C4)C2)C3)n1",-10.980488748081497],["C#N)C",-10.980679823438198],["c1[nH]ncc1",-10.980700555826154],["c3ccoc3",-10.980925768629485],["c2ccccc2S1",-10.980971323374984],["2[nH]c3ccccc3c12",-10.981043867917853],["c(-c5ccccc5)",-10.981049916113436],["c2ncnn12",-10.98108462719936],["C[C@](C)(C",-10.981199281395105],["C[C@@H]2[C@H]1",-10.981275740492077],["▁CN1C[C@@H]2C",-10.98148415734788],["C2=C(O1)",-10.981492030138137],["▁Cc1ccc(SCC(=O)N",-10.981515826993023],["=C2/",-10.981524412254734],["c1c32",-10.98158505624393],["▁O=C1CCN(",-10.98158539494512],["C2)n[nH]1",-10.981656884928558],["c(-c3ccsc3)n",-10.981663789263528],["C(c3cccs3)",-10.981813216220363],["c2c(N3CC",-10.98184611861902],["4ccccc4",-10.9819019723374],["/C=C/C=C\\",-10.98195547800086],["(OC(=O)N(C)C)",-10.982363414439334],["c1nc(Cl)",-10.98244190847564],["CN(c2cc3c(cc2F)c",-10.982442385408005],["oc2cc1O",-10.982783469767565],["▁COc1ccnc(",-10.98282115248054],["▁C=C[C@@](C)(",-10.983151760518933],["c1ccc(O)c(Cl)c1",-10.98329213427478],["c(O)ccc(O)c2C1=O",-10.98340410930205],["(-c3ccccc3Cl)n",-10.983441016065475],["2)c(OCC2CC2)n1",-10.983521644484457],["(NC(=O)C(F)(F)F)",-10.983606223958327],["▁NC(=O)[C@H](C",-10.983707292517234],["(NC(C)=O)C(=O)NC",-10.983740568949967],["nnc2s1",-10.98382917265441],["nn2c1C",-10.983935225181993],["c1ccccc1)C(=O)NO",-10.984041367012374],["▁CCCC(=O)c1c",-10.984049828719662],["N2C[C@H]3CC",-10.984076521313476],["[nH]c3ccccc23)c1",-10.984245632636089],["C(=",-10.984247595320037],["CN2CCCCCC2)",-10.98435619124756],["▁C/C=C(/C)C(=O)O",-10.984411730666796],["cnc(N)cn2)c(F)c1",-10.984489963397754],["c2sc(C(=O)N",-10.984579840684864],["c2c(c1)C(=O)N(",-10.98473950485805],["(c2ccc(F)cc2)",-10.98480136974404],["C1CCCCCCC1",-10.984830243214263],["▁CN(C)Cc1c",-10.984962780976808],["▁CC(=O)C1=C",-10.985035174265883],["C2(c3cc",-10.98505107950736],["c(C(=O)N2CCN(",-10.98507715745212],["[C@](O)(CO)",-10.985194810968077],["▁Cc1c(C)c2c(",-10.98525550217278],["c(=O)[nH]c3",-10.985297917050572],["▁Cc1ccc(Nc2",-10.985435291093404],["c2csc(-c3ccccc3)",-10.98545256649502],["c(=O)oc2cc(O",-10.985709768723442],["▁CC(C)Oc1ccc",-10.985993896663215],["C2(CCN(C(=O)",-10.986134723827767],["CC3)cc21",-10.986317722525596],["/C=C/c1ccccc1)C",-10.986394223649626],["▁O=C(Cc1ccc",-10.986419064704886],["▁Cc1ccc2cccc(",-10.986591048882318],["/[N+]([O-])=N/O",-10.98660501334971],["c1cccc(Cc2n[nH]c",-10.986627263524388],["▁Cc1[nH]c(C)c(",-10.986641883103296],["c1cc(Cl)ccc1C",-10.986642282378032],["c(-c3cccc(OC)c3)",-10.986656563392692],["c3c(=O)n(C)c(=O)",-10.986724447177854],["c2cc3c(cc2C1",-10.986801226608094],[".O=CO",-10.98684577416692],["[C@H]3N",-10.98702749985602],["2)c(Cl)c1",-10.987081259553298],["N1CCN=C1",-10.987110477195854],["cc-2",-10.98715875987808],["-c1ncc",-10.9871648293752],["CN2CCN(c3ccc",-10.98748753891925],["C[C@H]1NC",-10.987754451042402],["sc(NC(=O)",-10.988002515334063],["C2=C(CC",-10.988008697499591],["▁CCC(CC)O[C@@H]1",-10.988017880231997],["c2[nH]c2ccccc23)",-10.988038250835288],["▁Nc1nn",-10.988222632812697],["(OCCC",-10.988296656734375],["[C@@]23",-10.988342723327069],["▁Cc1ccc(NC(S)=N",-10.98839297050607],["▁O=C(O)c1cccc(-",-10.988409146598755],["▁CCCC(",-10.98852697595236],["[C@H](Br)",-10.988547199627767],["c(-c3ccnc(N",-10.988608387538566],["C12CCCC2",-10.98862304956296],["31",-10.988746987453172],["[C@H]1[C@@H]2",-10.988757657342024],["NC(=N",-10.988859648170768],["[nH]c3cc(NC(=O)N",-10.988894274767684],["nc(C(Cl)(Cl)Cl)",-10.988951960401623],["▁CCOC(=O)C1=C(N)",-10.988995159886969],["N3CCOCC3)cc2)",-10.989071268821924],["▁Cc1ccsc1C(=O)N",-10.989217728682965],["N(C)C)CC1",-10.989359182134152],["N1CCCN(C(=O)",-10.98969530305072],["=NN12",-10.989817686450488],[")C(=O)NC1CCCCC1",-10.989832703819705],["[C@H](O)[C@H]2O",-10.990107670250262],["[C@@](O)(C",-10.990156436086142],["c(C)c(O)",-10.990234499605387],["n2ccnc2)c1",-10.990593873762824],["COc1ccc(C)cc1",-10.990602699063729],["n(C(=O)",-10.990775218976996],["[nH]c2cc1",-10.990855539241108],["▁O=S(=O)(c1ccc(",-10.991071254747151],["=O)CC1",-10.991174936002205],["▁COc1ccc2c(c1",-10.991233209850574],["c2ccccn2)nc1",-10.991255026092402],["▁CCCCCCCC(=O)N",-10.991294538724812],["C32",-10.991460577236886],["c2c1nnn2C",-10.991477278407496],["N2CCCN(C",-10.991489899966906],[")c1ccc(OC)cc1",-10.991593633506206],["[nH]c1ccc(O)cc12",-10.991753592798998],["c2sc(NC(=O)",-10.99176534474496],["▁COc1cc(SC)ccc1",-10.991818927049206],["CCC[C@@]21C",-10.991860332903284],["C(=O)N(CCCl)N=O)",-10.99205587203616],["n2-c1ccccc1",-10.992165695086117],["Nc1cc(C)n",-10.992241240890763],["nc2n(C",-10.992337175706382],["oc2ccc3ccccc3c12",-10.992406692253496],["C(=O)C(C#N)",-10.992413800283176],["▁Cc1ccccc1C1",-10.992528904218243],["[C@@H]1CC2",-10.992611283978984],["c2-c2ccccc2)cc1",-10.99271919844508],["▁Nc1nnc(C",-10.992745277623357],["CC2CCCO2)c1",-10.992752755339971],["c2ncccc2c1=O",-10.992857727581017],["(OC)c(OC)c2)cc1N",-10.992971842116042],["c3ccc(C(N)=O)cc3",-10.993046412944953],["(CCC(N)=O)",-10.993176799355217],["NC(=O)c2cc(-",-10.993271835081304],["NC(c1ccccc1)",-10.993331760547594],["CCc2c1[nH]c1cc",-10.993333019580646],["CCCC2=O",-10.993346820529512],["c2ccccc2)C(=O)C1",-10.99337335487408],["c2cccc(Br)c2)cc1",-10.9933978344821],["(SCCO)",-10.993411530897925],["c2nc(-c3cccnc3)",-10.993456903251996],["c3ccc4[nH]",-10.993468239232232],["c(O)c4",-10.993483196632903],["C[C@@H]1[C@H]2CC",-10.99352770873644],["N2C(=O)CC(N",-10.993778406042452],["▁Cc1cccc2c(",-10.99380035312565],["nc(O)c1C",-10.994001822324131],["CC1C2",-10.994011787180344],["▁COCC(C)NC(=O)",-10.994184496292782],["(N)[C@H]1NC(C)=O",-10.99423090009698],["c1ccc2c(Cl)c",-10.994425570617633],["▁Nc1ccc(-c2c",-10.994477205336764],["CCCCCCC(=O)NO)",-10.99456615608565],["N2CCN(Cc3ccccc3)",-10.994569441630864],["▁CC(C)OCCCNC(=O)",-10.99463508199769],["▁CCOC(=O)C1CCN(C",-10.994650930164545],["C(CNS(=O)(=O)",-10.995065131773831],["N(c2ccccc2)C(=O)",-10.995085850744886],["(COC(C)=O)",-10.9951913485595],["N[C@H](C)",-10.995311761813586],["c3cc(Cl)ccc3Cl)",-10.99542203182083],["N=C1c1ccccc1",-10.995596220309466],["2CCc3ccccc3C2)c1",-10.995597157883658],["c3ccc(OC)cc3OC)",-10.995599127361634],["c1cccc(C(C)C)c1",-10.995698426030431],["▁Cc1cc2oc(=O)cc(",-10.995706268781513],["C1(C)CCN1C(=O)",-10.9957883764725],["C(=O)N1CC(=O)N",-10.99593078330516],["c2c(N)nc(N)nc2",-10.99595592932599],["C4CC4)C3)",-10.995966242801078],["[C@@]32",-10.99598204278386],["[C@@H]4C[C@H](O)",-10.996032581555117],["N4C",-10.996324360624538],["cc2)c2ccccc2n1",-10.99640546405048],["c4ccccc4n3",-10.996463569556768],["o2)o1",-10.996484260038924],["c(-c2ccccc2O)n1",-10.996574320331282],["▁S=C1",-10.996695390209556],["C(O)=C2",-10.996701092611117],["▁O=C(O)C1CC",-10.996704209783848],["n(Cc3ccc(F)cc3)",-10.99683176249314],["nc2)CC1",-10.996885485278238],["▁CCOc1cc(CN",-10.99695508307624],["c6ccccc6",-10.996965412828008],["N3CC(C)OC(C)C3)",-10.996979805202011],["/C1=C\\c1ccccc1",-10.99699890942192],["n2c3c(c4ccccc42)",-10.99703582431064],["c2nc(N)nc3c2",-10.997061897632417],["C3COc4ccccc4O3)",-10.9970702636461],["▁CC(C)Cc1cc(",-10.997090907059036],[")c1ccc(Cl)nc1",-10.997169142217636],["2CCSCC2)",-10.99719340256702],["/C=C2\\C",-10.997325217724264],["nc2ccc(Cl)cn12",-10.997429688980615],["▁O=C(c1cn",-10.997479406988855],["cc2nc(O)c(O)nc12",-10.997692136860746],["c2cn[nH]c2)",-10.997720495684357],["C(=O)COC(=O)c1cc",-10.997925126320307],["CCCN1CCCC1",-10.997973836706493],["c(Cn3ccnc3)c",-10.997987928976444],["▁Cc1cnc(C(=O)N",-10.99801209105857],["▁Oc1nc2ccccc2",-10.9980604101163],["Sc1nc(-c2ccccc2)",-10.998202278175391],["n(N)c(=O)",-10.998281884269597],["N1CCC(n2c",-10.998357048478615],["▁CN(CCc1ccccn1)",-10.998472031353405],["cc2F)c1",-10.998715419665151],["▁O=C1C=CC(=O)N1",-10.998755039372558],["c1ccc(-c2cc(=O)",-10.998937716455744],["N4CC",-10.998974864778958],["N=O)",-10.999016388994391],["C(C)(C)[C@@H](O)",-10.999076932671478],["▁O=C(O)c1cccc(C",-10.999083842881388],["(C(F)(F)F)c",-10.999142603732311],[")C(Cl)Cl",-10.999144148626314],["CC(=O)c1ccccc1",-10.99930558181267],["c1ccc(C2=N",-10.999365528926754],["CC4)cc1",-10.999370019548731],["c1nc(-c2ccccn2)n",-10.999374041975358],["▁COc1n[nH]c2cc",-10.999438615598397],["C1=NN",-10.99952571023999],["▁S=C(S",-10.999538434102847],["c2cccc(O)c2O)",-10.99954585745892],["▁CC(=O)c1ccc(-",-10.999586940989252],["cc(OCC)c1OCC",-10.999598592307304],["CNC(C)",-10.999669977594255],["▁CCCCCc1cc(O)c",-10.999786963691404],["c2ccc(F)c(F)c2",-10.999841288031906],["4ccccc4oc3=O)",-10.99988935880887],["-c2ccc(Cl)cc2Cl)",-10.999893083794348],["c(OC)c2",-10.999894434007649],["c1cc(F)cc(",-10.999940513373744],["▁Cc1ccc(Oc2ccc(",-11.000027296139624],["c(C(F)(F)F)cc3",-11.00006702630328],["o1)c1ccccc1",-11.00007109543055],["O[C@H]1[C@H](O)",-11.00016718955283],["NCc2ccco2)",-11.000182118408668],["[C@H]23",-11.000352728713],["c(Br)c(Br)",-11.000380005680586],["C1(CO)CC",-11.000409259897005],["P1(=O)",-11.00048467585946],[")c1ccc(F)c(F)c1",-11.000589619594596],["▁N[C@H]1CC",-11.000684864167948],["c(C#N)c(SC",-11.001292816567709],["CCCCCCC(=O)N",-11.001322619307537],["▁Cc1ccc(C(=O)C",-11.001447299207497],["▁CCOc1ccc(OCC)c(",-11.001509063597329],["▁c1ccc(Cn2c",-11.00151333909252],["c(S(N)(=O)=O)c",-11.001653257522849],["▁COc1ccc(CN(C)",-11.00188981343758],["CCN(c2ncnc3[nH]c",-11.001937846533751],["S)C(=O)N[C@@H](C",-11.002124978771832],["(=O)n(-c3ccccc3)",-11.0021821817878],["C(=O)c2ccccc2O)",-11.002287067413125],["[C@@H](C)CO",-11.00244874253656],["▁CC(C)NC(=N)",-11.002768617388169],["c2n[nH]c(",-11.002824477496851],["▁COC(=O)Nc1n",-11.002980195385934],["N2CCN(c3ccccc3)C",-11.003114014725014],["▁COC(=O)c1ccc(OC",-11.003147375776855],["NCc2ccncc2)c1",-11.003195404560074],["▁Cc1cc(-c2ccc(",-11.003208277194531],["/C=C\\C/C=C\\C",-11.003318599546418],["cc2)nc2ccccc12",-11.00346362745724],["▁COc1cc(O)c",-11.00351080992061],["nn21",-11.003723717076262],["C(=O)NC1CCCCCC1",-11.003782623567687],["C4CCCO4)",-11.004174468172646],["/N=C1\\SC",-11.004203034184718],["OCCCCO",-11.004302263798431],["▁CC(C)n1nc(-c2cc",-11.004468198635491],["CC2)c(F)c1",-11.004543468600584],["SC(C)C(=O)N",-11.004625609236266],["c(=O)n2-",-11.00471945886401],["c(Br)n",-11.004940043595848],["▁NCc1ccc(",-11.005008313652738],["(N3CCCC3)",-11.005014386461903],["cc2c(=O)[nH]1",-11.005016844475552],["▁C/N=C(\\S)",-11.005066975766296],["c1ccc(CNC(=O)c2c",-11.005079664539826],["c1ccccc1-c1cc",-11.005093077918769],["C(=O)Cn2",-11.005288424660613],["cc1OCC",-11.005313344458315],["▁CC(C)n1cnc2c(N",-11.005350212372804],["c3ccc(-c4ccc",-11.005491420312472],["Cn1nnc2ccccc21",-11.005694669667871],["O[C@H]2CC",-11.005742500455924],[")CCC=C(C)C",-11.005897748074974],["c1nnn2c1",-11.006117227618017],[")C2)cc1",-11.006193339306968],["c(N4CCCCC4)",-11.006292349035444],["OS(=O)(=O)O)",-11.006342082712894],["▁CCc1c(C)sc(N",-11.00636465804228],["c2ccccc2)cs1",-11.0064353286096],["C[n+]2c",-11.006640094547512],["CO)c1",-11.006648209721174],["CN4CCCC4)",-11.00677731018586],["nnc1-c1cccnc1",-11.006844273891357],["CCN(Cc2ccccc2)C1",-11.00696035402934],["(C(=O)NC1CCCCC1)",-11.006973252094824],["Cn3cn",-11.007060190740871],["COC(=O)N",-11.007118799583882],["▁CC(=O)N1CCc2c(",-11.007356347796591],["[C@H]4O",-11.007550318484912],["n3)CC2)",-11.007570165839628],["OC(=O)C(=C)",-11.007602624272735],["NC(C)C)",-11.007616011398602],["c2cccn2",-11.007652118737989],["c2nccc(-",-11.007721625900182],["▁Oc1ccc2",-11.007984422798458],["▁O=C(NCc1cc",-11.00798899745387],["c(=O)n(C)c2",-11.008067357201275],["▁O=C1C=C2",-11.00823135167521],[")c1ccc2c(c1)",-11.00826127116198],["▁COc1cc(/C=C2/",-11.008301453050896],["▁CC(C)(CNC(=O)",-11.008386876382655],["c(=O)c1Cl",-11.008397290187151],["21",-11.008448256850588],["C(C)(C)C)CC1",-11.00851591692008],["c2ccccc2c1=O)N",-11.008567368352413],["c2cc3cc",-11.009014809214984],["[C@H]2C[C@H]3",-11.009026263044984],["c3c(c2)OCCO3)CC1",-11.009035057886708],["C(Br)=C",-11.00903656142292],["c(C(=O)N3CCCC3)",-11.009154464285588],["c(C(N)=O)c1",-11.009197002734131],["(c1ccc(Cl)cc1)",-11.00921572641316],["▁Nc1nc(N)c2ncn(",-11.00942978017979],["c(C(C)C)c1",-11.00952220738208],["COc1ccccc1)",-11.009704708023278],["▁C#CCN(C)CC(=C)",-11.00989715450295],["[11C",-11.009936928485589],["c2sc3c(c2C#N)CCC",-11.009963706097588],["CC[C@@](C)(",-11.010011861558272],["▁ClC",-11.01017813932584],["CC[C@@](C)(O)",-11.010185391326573],["▁COc1ccc(/C=C(/",-11.010398210076538],["c1cccc2nonc12",-11.010431568892724],["[C@H]1COC(N)=N1)",-11.010445501612462],["4CCC4)",-11.010467090513677],["▁COc1ccc(OC)c(CN",-11.010483299219516],["c3ccccc3)o2)c1",-11.010599720328097],["cc12)[C@H]1C",-11.010777690979278],["▁Cc1nn(C)c(Cl)c1",-11.010817698290696],["c1cc2ccccc2nc1Cl",-11.010824696237158],["2)CCN1",-11.010878908671687],["c(F)c4)",-11.010892271295807],["CN(S(C)(=O)=O)C",-11.010919612972636],["cc(=O)n2c1",-11.010948045238749],["c1ccc(Cl)cn1)",-11.011161251329352],["[C@@]2(C)[C@H]1C",-11.01127865662284],["Cc1ccc(Cl)nc1",-11.011357850195742],["c2nc(O)c(O)nc2c1",-11.011378142407118],["N(C)c1nc2cc",-11.011413332081878],["C(=O)Nc1nc(-c2cc",-11.01151847865421],["▁CC(=O)O.C",-11.011628669357972],["c2nc(SC)n",-11.011706951232618],["C=C(C#N)C#N)",-11.011840371741592],["c(-c4ccncc4)",-11.011867145959377],["▁COc1ncc(",-11.011897984942568],["▁C[C@@]12",-11.012037279902838],["▁COc1ccc(-n2nc",-11.01214801929002],["/C(Cl)=C/",-11.012389330034056],["([2H])",-11.012418638287665],["N3CCCCC3C)",-11.012463272987802],["[nH]c4ccccc43)",-11.012502405263216],["▁O=C1N=C(O)",-11.012552084590304],["▁O/N=C(\\C",-11.012573078456652],["[nH]cnc2ncnc1-2",-11.012687794083453],["CCCc2ccccc2)cc1",-11.01275365438277],["▁CC(C(=O)O)c1cc",-11.01278154721776],["n1ccc2ccccc21",-11.012856918835285],["c3c2C(=O)",-11.012929168225511],["(C)C(=O)NC",-11.012970348015015],["▁CC1CC(=O)NN=C1",-11.013059239449674],["NS(N)(=O)=O)",-11.013144970725008],["c2ccco2)n1",-11.013155127503486],["/C(=C2\\",-11.013268817304702],["c(Cl)c(Cl)c2)CC1",-11.01331600925712],["nc3[nH]ccc23)",-11.013418379386744],["▁Cc1ccc(-c2noc(C",-11.013540053420089],["cc3c2N1CC",-11.013626339905263],["nc1-c1ccc(Cl)cc1",-11.013702369298985],["CN(CCC",-11.013804798380155],["c(N3CCOCC3)n",-11.013830707029282],["Cn2cnc3ccccc32)",-11.01388758217447],["nc3c12",-11.013895520784846],["c2cc(NC(=O)c3cc",-11.013924079338064],["▁CC(=O)Nc1nc(C)",-11.013964218093196],["[Si](",-11.01402981867444],["c3sc4c(c3c2=O)CC",-11.014059626807724],["3CCNCC3)",-11.014084351167028],["COc1ccc(O",-11.01415786071247],["▁CC(=O)N1CCN(C",-11.014205170402684],["CO)C",-11.0142556366921],["▁CN(C)Cc1ccccc1",-11.014278977192095],["c3c4c(",-11.014386881000558],["c1ccon1)",-11.01460013481536],["CN1C(=O)C(=O)N(C",-11.014649738697877],["▁CSc1ncccc1C(=O)",-11.01466841527234],["Nc1nc(Nc2ccccc2)",-11.014869319080248],["C(=O)C=C1C",-11.014922834780291],["C1=NN(C(=O)",-11.014992353666797],["CCO)c1",-11.015057238449142],["C(F)(F)C(F)(F)F)",-11.015114145553856],["Cn1ccc2cc(",-11.015161723461524],["c2nn(C)c(=O)",-11.01516600574033],["/C=C/c2ccccc2)c1",-11.015222473355204],["c(C3",-11.01523027940013],["(NC)",-11.015402643396826],["[C@]42OO3",-11.01540633782464],["▁CCCCCCCCCO",-11.015661016851167],["c2ccc3c(c2)C(=O)",-11.015778658887818],["ncc1F",-11.015909045997796],["▁COc1cc2c(cc1OC",-11.015954519239376],["c1nnc2c3ccccc3",-11.016026449650486],["c2nc(-c3ccccn3)",-11.016186728704753],["▁Cc1ccccc1Nc1",-11.016256334026387],["c2no[n+]([O-])c2",-11.01629446382952],["nc2ccc(Cl)cc12",-11.016467608918216],["[C@H]2c3ccccc3",-11.016555793234234],["▁C[C@@H](NC",-11.016732344508828],["-n2nnnc2SCC(=O)N",-11.016740628774308],["NC(=O)c1ccccn1",-11.016746518023073],[")NCCO",-11.01702275176006],["▁COc1cccc2c",-11.01711403465261],["▁O=c1s",-11.017122138409722],["N2Cc3ccccc3C2)",-11.017142887543738],["▁C[C@]12CCC3",-11.017159592746411],["C(=O)NCc3cccnc3)",-11.017266001747943],["o2)c",-11.01729900719112],["c3)cs2)c1",-11.017473556237364],["Nc1nc(-c2cc",-11.017620371375331],["c2c1ccn2",-11.017693357544385],["n4nc",-11.017758279881768],["▁Cc1nc2ccc(N",-11.01783529090805],["c(-c2ccccc2Cl)",-11.017891301018722],["c(N)n2)",-11.01816298544964],["▁CCOC(=O)N1",-11.018178404547925],["c(Cl)c(O",-11.01827361507991],["NC(=O)N2",-11.018371024467974],["C(Cc4ccccc4)CC3)",-11.01837785686303],["C[C@]4(C)",-11.018627067965737],["CN2C(=O)NC3(CCCC",-11.018657525006525],["▁CC(C)(C)NCC(O)C",-11.018698181299683],["CCNc1nc",-11.018716896011894],["N=C(S)N1CCC(",-11.01882757753701],["▁COc1nc(N",-11.018835562610914],["c3nc(O)",-11.018917949182718],["/N=C/c2ccccc2O)",-11.019046058556242],["C(c2c[nH]",-11.019176293821552],["▁CCc1nc(C)",-11.019431371445734],["CC1)c1ccc(F)cc1",-11.019442886064049],["C=NN",-11.01964425498844],["c2oc(=O)ccc2c1",-11.019813599676484],["C2)c1C",-11.01984385675711],["▁CCCCCC(O)",-11.019917169727972],["▁Nc1ccn([C@@H]2O",-11.019940494345548],["c(O)nc12",-11.020062210158857],["▁CC(=O)c1ccc(O",-11.020201446694394],["45C",-11.020445004705202],["c1c(F)c(F)c(",-11.020520726036128],["▁Cl.N=C(N",-11.020545129348612],["c1cc(C(C)(C)C)",-11.020635696127584],["c(-c4ccsc4)",-11.020652486491068],["▁c1ccc(C2=N",-11.020665711577776],["c2ccc(Br)",-11.020677676137224],["C1(O)C(F)(F)F",-11.0208050759002],[")N1C[C@@H]",-11.020847326214527],["Nc2ncccc2",-11.020925962627178],["c1cnccc1N",-11.021312656671078],["c3ccc(F)cc3F)CO",-11.02147289673715],["c(C)n2)cc1",-11.02151508726027],["CN1CC1CC1",-11.021635297265163],["nc(NCC",-11.021731497217978],["▁O=C(Cn1nn",-11.02192573957171],["NC2CCCCC2)cc1",-11.022304530150064],["▁O[C@H]1[C@H](O)",-11.02236437250899],[")c1ccc(C)cc1",-11.022389006371004],["Oc2cccc3cccnc23)",-11.022396545367853],["c1cc(-c2cccs2)n",-11.022562068820095],[")cc1OC1CCCC1",-11.022568084155738],["/C(=N\\OC",-11.022587351229262],["c1ccc2c(c1)ncn2",-11.022641496511206],["3c(c4c(c12)OC(C)",-11.022772899785627],["c2c(C(=O)O)c",-11.022814502366463],["C1C2C=CC(C2)C1",-11.022814984281672],["c(-c2ccccc2)c1-",-11.022826641073106],["C(=O)N/N=C/c1ccc",-11.022866320306267],["C(c3ccc",-11.022892903035046],["c2cc(O)c(O)cc2C1",-11.022899428672474],["▁COc1cn",-11.022899556243065],["c1cc(Cl)c(O)cc1O",-11.02306030521341],[")C1COc2ccccc2O1",-11.023063658737309],["C(=C\\",-11.023131706462337],["nc2O)cc1",-11.023197169293775],["noc2",-11.023222961478409],["C(C(=O)NO)",-11.023258397939678],["N1CCCCCC1)",-11.023374671312377],["c1ccc(=O)n(C",-11.02343577669946],["c12.Cl",-11.023442484792549],["▁COc1cccc(OC)c1-",-11.0235709478933],["▁Cc1cc(=O)n(C",-11.023687120725972],["▁O=C(O)Cc1nn(C",-11.023801102564166],[")=C1/",-11.023802635452686],[")[C@@H]1CC",-11.023809974009144],["N1CCC2(C",-11.023899000356469],["c5cccnc5)",-11.024063416520764],["nc2sc3c(=O)n(",-11.02421639105489],["▁O=C(CSc1nc",-11.024309780460571],["C[n+]1cccc(",-11.024379504511291],["CC[18F])",-11.02459571778822],["N(c4ncccn4)CC3)",-11.024709913166436],["(Cc2ccc(F)cc2)",-11.024743889646334],["(CCCCCC)",-11.02474649474664],["n2nc(C)cc2C)cc1",-11.024761917492135],["O5)",-11.0248104621797],["c(OCCCN3CCCCC3)",-11.025003238440476],["CC[C@@]1(O)",-11.025059513877263],["C(C)N(C)C",-11.025059583990956],["C(=O)CN1C",-11.025062053007364],["cc3[N+](=O)[O-])",-11.02514762579369],["▁c1cc(-c2n",-11.025293316524651],["▁CN1C=C",-11.025519276430686],[")CC2=O",-11.025626001141331],["▁Cc1cccc2c",-11.02565524177679],["C(C=O)=C",-11.025672444762703],["o2)c(C)c1",-11.025812483003437],["C(=O)C=CC2=O",-11.025870510885063],["C2CCCc3ccccc32)",-11.026050794590258],["O[C@H]12",-11.026079362646726],["c1cc(Br)ccc1OC",-11.026098381538636],["oc23)",-11.02617197208249],["3CCC(",-11.026231733078877],["▁CCOc1c(",-11.026237562136505],["[C@H]2C(=O)O",-11.026332841982294],["NC(=N)N)cc1",-11.026368140906568],["[C@H]2S1(=O)=O",-11.026393579657793],["c1nc(-c2ccc(F)",-11.026471082888955],["[O-].[Na+].[Na+]",-11.026544881068638],["nc2c(C(F)(F)F)cc",-11.026685415236384],["COC3=O)",-11.026697047239852],["c(=O)n3C",-11.026706737343355],["[C@@](C",-11.026907350484084],["Nc1ccnc(N",-11.026973146776529],["NCc1c",-11.027035181680532],["▁NC(=O)N(O)C",-11.027139144618362],["c2cc(-c3n[nH]c4c",-11.027191408830038],["c1ncc2c(n1)",-11.02732645676258],["S3(=O)=O)",-11.027327274595615],["▁CCOCC1",-11.027436646956232],["▁Nc1nc(O)c2c(n1)",-11.027688095117412],["[n+]1cc",-11.027733975587273],["c2ccccc2C(=O)N",-11.02774652072362],["c1ccc(O)c(O)c1)O",-11.027930551488172],["▁CC1(C)N",-11.02795669814887],["CCc1ccccc1-2",-11.028099739874383],["(/C=C/C(=O)O)",-11.028357366068754],["▁CCOP(=O)(O)",-11.028364335938557],["▁CC(Oc1ccc(",-11.028578806952176],["n3cnnc3",-11.028652886095394],["c3ccc4cc",-11.028796612240493],["c(Oc2ccccc2)cc1)",-11.028930980324764],["Cl)CC1",-11.028953708869407],["▁CC(C)[C@H](CO)N",-11.028967367891902],["Cn1ccc2ccccc21",-11.028998322054854],["N1CC(C(=O)N",-11.029036729187624],["CC1(Cl)Cl",-11.029101338883644],["coc2ccccc12",-11.029301139311588],["nc2c(N",-11.029321835432787],["C(=O)[C@@H](N)CC",-11.029371461396646],["▁COCc1nc(",-11.0294013083271],[")N(O)C(N)=O",-11.02940625038972],["c1cncc(OC",-11.029543244065588],["/C1=N/O",-11.029614878773396],[".O=C([O-])",-11.029719234742744],["(-c3ccc(F)cc3)c",-11.029719904408058],["(-c2ccc(O)cc2)o",-11.02973304488355],["C(c1ccccc1)=NC2",-11.02975541655365],["n1)CC2",-11.029782407445378],["▁Cc1ccc(F)c(",-11.029808162704498],["N2CCC[C@@H]12",-11.029839199358303],["▁S=c1[nH]",-11.0298559080825],["[C@@H]2[C@H](",-11.02991746666062],["▁Cc1ccc(CO",-11.030022283573487],["c2ccc(C)nc2",-11.03021857274438],["[C@H]2O[C@H](CO)",-11.0303742468161],["COC(C)=O",-11.0304320799004],["▁COCCn1c(",-11.030507691629266],["C5)C4)",-11.03052540298448],["c3)c2n1",-11.03052864030655],["C(C)=O)cc1OC",-11.030679525166487],["▁CNc1cc(",-11.03075933958825],["C(C)C)cc2)cc1",-11.030776191052595],["nc2cc1C",-11.030789290230794],["c3ccc(F)cc3)cc2)",-11.030816534974214],["=C1\\SCC(=O)N1",-11.031064786575742],["▁O=C(NCCCC",-11.031069988179992],["/C(C)=N/NC(N)=S)",-11.031090286349908],["c(N4CCCC4)",-11.031157541673576],["c1nccc2ccccc12",-11.03125631265499],["C(CCC",-11.031293891153048],["▁Cc1nccc(",-11.031388329689474],["c1noc(-c2ccc",-11.031443610456272],["▁Cc1cnc2",-11.031457664089874],["▁O=C1CCC(=O)N1",-11.031477857536736],["[C@@H]1n1cc",-11.031563009598798],["c2nnc(SCC(=O)N",-11.031653506135076],["c2ccsc2)c1",-11.032160476040056],["C4)C3)",-11.032372469935307],["c1ccc(NC(S)=NC",-11.032510005410067],["▁Cc1cc(NCC",-11.03267824472797],["▁O=C(c1ccccn1)",-11.032749541806371],["[C@@H]2CNC",-11.032795349923656],[")ccc2n1",-11.032821817279888],["P(=O)(OCC)OCC",-11.032866660839211],["C1=C2C",-11.032869116962829],["C(=O)C(c1ccccc1)",-11.03310970542168],["C(=O)CC(C)C",-11.033179029700008],["cc3n2",-11.033247990211828],["C(=O)N2C1",-11.033382763783145],["c3ccncc3)CC2)cc1",-11.033532961743576],["▁CCC(CC)NC(=O)",-11.033689268459533],["N(C)/N=N/",-11.033743444101155],["c1cc2c(cc1NC(=O)",-11.033837758691838],["3)c[nH]c2c1",-11.033943828043771],["c2cn3ccsc3n2)",-11.033947049660048],["c2O)O1",-11.034090684236771],["c2ccsc12",-11.03418545083227],["CNCc1coc(-c2ccc",-11.034331798121675],["c(Cl)nc12",-11.03433226258514],["nc(-c2ccc(F)cc2)",-11.03438002913864],["CCCCC3",-11.034404932972688],["[C@](O)(C",-11.03442468692512],["C(=O)N1CCN(C(=O)",-11.034434806737996],["C(=O)NCCC(C)C)",-11.03463622674349],["▁C=CC(C)(C)c1c",-11.034657522239865],["cc2c3c([nH]c12)",-11.03487810198711],["[C@H](CO)[C@H]1O",-11.034940504027452],["C(c2ccncc2)",-11.034964865852263],["▁COc1c(-",-11.034992077597588],["N1CCCC(N",-11.035147269087757],["▁Cc1ccc(Nc2nc",-11.035154738558202],["▁O=c1n",-11.035188079733786],["▁CC(C)C1C",-11.035218154091352],["OC(C)(C)[C@H]1O",-11.035333653821304],["nc(N)n2)cc1",-11.035344282508785],["C2)[nH]n1",-11.035392306736313],["cc(Br)c1OC",-11.035396009303383],["c2ccc(C#N)cc2)c1",-11.03550329218811],["(S(N)(=O)=O)cc2",-11.03564372393068],["1)C2=O",-11.035676798044143],["c2nc(C3CC3)",-11.03587108649261],["C(=O)Nc2ccc(Cl)",-11.03589438543833],["(/C=C/c2ccccc2)",-11.035934742008344],["nc3c(-c4ccco4)nc",-11.035991812747168],["/C(C)=N\\",-11.036274101531202],["ccc1-n1cnc(C)c1",-11.036304344171976],["▁COc1cccc2c(=O)",-11.036324087148875],["▁C1=C(c2ccccc2)",-11.036422669135536],["c1ccccc1N1CCOCC1",-11.03647138053957],["c(-c2cnc",-11.03654981449981],["CSc1nc2ccccc2n1C",-11.03657273650032],["c2c3c(n",-11.03662576711883],["CSc1nc2c(c(=O)",-11.036962116333427],["▁Nn1c(SCC(=O)N",-11.036994927221114],["[C@H](O)[C@H]3",-11.03700785748138],["C(c2ccc(C)cc2)",-11.037091809254722],["▁O=C1[C@H]2",-11.037203362357037],["CC1)O2",-11.037225114757682],["(C(F)(F)F)cc1)",-11.03733649128304],["[C@@H](C)[C@H](",-11.037345953569467],["N/C(=N/C#N)N",-11.037431918053384],["N(Cc1ccccn1)",-11.037432649474336],["-c1ccsc1",-11.03744534418962],["c2nc(N3CCCCC3)",-11.0375890336984],["CN1CC=C(",-11.037642906242723],["▁O=c1[nH]c(=S)",-11.037655514629202],["c1noc2c1C",-11.03767285866078],["▁CC[C@]12CC",-11.037795276857976],["c13)CC2",-11.037925264743702],["n1sc2ccccc2c1=O",-11.037944650145818],["c3ccc(O)cc23)",-11.03801749469177],["c1cccnc1S",-11.038039073585022],["NC(=O)c2ccc(-",-11.038069992582082],["3c(cc12)",-11.038072897071944],["▁Cc1cc(C)n(CC",-11.038131762900294],["c3cnc4ccccc4n3)",-11.038153351842132],["cc3C(F)(F)F)",-11.03828670611433],["c3n2C",-11.03832571889051],["▁Cc1cc(C)c(OC",-11.038371183392943],["C[C@H]32)",-11.03838959436822],["c3c2OC",-11.038402185642704],["c2cc[nH]c(=O)c2",-11.038406444811034],["▁CSc1nn",-11.038430572454168],["c(OCCO)c",-11.038805236723878],["c(C)c(C(C)=O)",-11.03886854056938],["▁CCC(=O)NCC",-11.038878243324517],["S(=O)(=O)Nc2ccc(",-11.03895419854181],[")C(=O)NCc1ccccc1",-11.038980972961216],["C(=O)OCc2ccccc2)",-11.038997769071464],["1OC(=O)c2ccccc21",-11.03912686692144],["▁Cc1ccc(-c2cn",-11.039172600006996],["c2ccc(C)cc12",-11.03917872018722],["▁CN(Cc1ccc",-11.03931879548335],["c(-c3ccccc3O",-11.039335146133006],["▁COc1ccc(C(=O)OC",-11.03939940205426],["c(C)c2)",-11.039457492279045],["n2cnnn2)",-11.039470447118196],["C(=O)c2cc3c",-11.039544399093664],["c3sc4c(c3",-11.040018260008562],["C1(C)CCCN(C",-11.040143151251405],["NC(=O)CSc2nnc(",-11.040189659460871],["▁CC(C)[C@@H](N",-11.040391549475428],["2)c(F)c1",-11.040603480392203],["2)[nH]1",-11.040693469536077],["▁FC(F)(F)c1ccc(N",-11.040733585544292],["nc(SC)n",-11.040760509145604],["▁CC(=O)c1c(C)n",-11.040883142837004],["N1C=C",-11.040920064601874],["▁CNc1",-11.040970392510689],["CCc2nc3ccccc3",-11.040986952235176],["NC(C)=O)c1",-11.04108441067918],["c3ccccc3c2",-11.041169788161696],["CC[C@](C)(",-11.041247193434655],["(CO)O[C@H]1n1cc",-11.041542847173208],["CSc2nc3ccccc3s2)",-11.041637181534442],["c3ccc(SC)cc3)",-11.041700702255184],["▁O=c1[nH]c",-11.041731560526706],["[C@]1(F)",-11.04187821895043],["▁CCC(CO)",-11.041898338791007],["▁Nc1ccn(C",-11.04196699327369],["▁C[C@]12CCC3C(C",-11.042119499975954],["3)cc21",-11.042221585798163],["nc(Nc3cc",-11.042255225532625],["c2nn(C",-11.04232615339399],["N1C(=O)c2cccc3c",-11.042356737536773],["n(-c2ccccc2)nc1",-11.042366736500078],["c2c(Br)cccc2",-11.04251023719848],["C2CCN1CC2",-11.042770002286233],["4c(sc3n2)CCCC4)",-11.042804582300686],[")NS(=O)(=O)",-11.043012936728896],["▁Cc1cc(N/N=C/",-11.04312010272374],["COc1ccc(-",-11.043263329438773],["S2)c1",-11.04339061067144],["nc2sc3c(c12)CCC3",-11.043464946810492],["c4ccn",-11.043578780427165],["Sc1ccccc1)",-11.043642051382346],["n2c(-c3ccccc3)n",-11.043644276347797],["c(=O)oc2ccccc12",-11.043664924628548],["▁CC1CCC(N",-11.043673536808884],["c2cc1Cl",-11.043702021486736],["2C1",-11.043843009412516],["▁O=C(O)Cc1ccc(",-11.043877634750714],["C(=O)c2cn(C",-11.043952888542936],["c1-c1ccc(",-11.04402873239518],["n2c1nc1ccccc1c2=",-11.044097362161049],["cc1OC.Cl",-11.044143069870824],["ccc23)cc(OC)c1OC",-11.044203809854064],["[C@H]3[C@H](",-11.04426557425477],["c4[nH]ccc4c3)",-11.044265756775731],["c2cnccn2)C1",-11.04427851546352],["c2)c2ccccc21",-11.04430095189899],["2CC(c3ccc(F)cc3)",-11.044384057496911],["c(-c3ccccc3)no2)",-11.044415827199863],["ccc(c23)C(=O)N1",-11.044609087883735],[")=N/O",-11.044780353404825],["N3Cc4ccccc4C3)",-11.044791408141728],["c2c(OC)cccc2OC)",-11.044828392584158],["c2nnc(-c3ccco3)",-11.044904879787094],["▁O=C(O)CCCCCCC",-11.044975937487829],["c1ccncc1)C2",-11.04499821397693],["N(CC1CCCO1)",-11.045025605053183],["c2C#N)c1",-11.045112579301309],["N1c2ccccc2CC",-11.045173969875524],["sc(-",-11.045177335568802],["C(=O)Nc2ccc(-",-11.045324626152151],["Cn1cnnn1",-11.045522160489575],["/C(Cl)",-11.0456913213697],["c3ccc(C)",-11.04579510949273],["▁N=C(NCCC",-11.045978995719151],["c3ccccc23)s1",-11.046001088353684],["Cc1ccc2ccccc2c1",-11.046035005943512],["c(-n3cccn3)",-11.046116682207106],["/C(=C/c2ccc",-11.046386355532675],["C1(C(=O)N",-11.046500364408931],["▁C=CCOC(=O)N",-11.046561167050577],["C2(C#N)",-11.046592256632668],["▁O=C1CC(c2ccc",-11.046716761700768],["CC[C@@H]1N",-11.04685235722599],["c2ccccc2)s",-11.04687917690168],["c1ccc2c(c1)CNCC2",-11.047126187674186],["C(P(=O)(O)O)",-11.047214234110022],["[C@H]2C(=C)",-11.047274298024488],["C1(CC",-11.047279031294806],["2)c1=O",-11.047329923415049],["cc2OC)ncc1",-11.047368866352087],["c(/C=C2\\SC(=S)N(",-11.0475066814387],["n2c1CCC2",-11.047568250363494],["N(Cc1cnc[nH]1)",-11.047589974068302],["n(CCC)c1=O",-11.047591852214724],["c2n[nH]cc2",-11.047703612317864],[")C(O)c1ccccc1",-11.04802431499089],["/C=C(\\O)C(=O)O)",-11.048116194478972],["C=C(c2ccccc2)",-11.048393315430427],["Cc1ccc2c(c1)CCO2",-11.048433274518612],["c1nc(-c2ccc(",-11.048592173129194],["[C@@]4(",-11.048732229246914],["OCO3",-11.048769211269654],["▁OC1C",-11.048821131651437],["c3ccccc3O2)",-11.048879518857042],["c1ccnc(Cl)c1",-11.048945228077798],["c2[nH]c(C",-11.048966822534624],["c1cc2ccccc2cc1",-11.04902895359313],["c3c(O)cc(O)cc3",-11.049070099818753],["▁CCCCCCCCCCCCCCO",-11.049162674088112],["[As]",-11.04926454568835],["/N=C(/N)N",-11.049291571150466],["▁COc1ccc(-n2cc",-11.049340141847216],["CC[C@]5(C)[C@H]4",-11.049355600331769],["[18F]",-11.049443870899674],["c(F)cc3",-11.049456216656244],["c(=O)[nH]c(=O)c1",-11.049477510970105],["c1[nH]n",-11.049534114857275],["c3nnc(C)s3)",-11.049614639831123],["CN(Cc1coc(-c2ccc",-11.049726644179168],["COc1ccc(C",-11.049999868454012],["c2ccccc23)c1",-11.050273935406231],["c1ccc(Cn2c",-11.050282791679493],["c3cc(C)cc(C)c3",-11.05028786063358],["[C@@]23CC[C@@H]4",-11.05031963140618],["▁Cc1c(-c2cc",-11.050464155501864],["n3cccn3)",-11.050602595368654],["CC2(O)",-11.050636655707049],["[C@H]2O[C@H](",-11.050756182491506],["cc2sccc21",-11.050824017010632],["[C@H](O)[C@H]1",-11.050865930461187],["NC(N)=S)",-11.051046399583893],["C3=C2C(=O)CCC3)",-11.051094704001756],["C1=N/C(=C\\",-11.051109526786714],["CCC[C@H]1N1CCCC1",-11.051258069887004],["c2[nH]c(-c3ccc(O",-11.051272301282308],["▁CC1CCCC(",-11.0513294167605],["▁CC(OC(=O)C",-11.051345557037322],["2CC[C@H](C1)N(C",-11.051415644155204],["c2C#N)",-11.051452164540546],["c1ccc2c(c1",-11.051800156399471],["c2sc3ccccc3c2Cl)",-11.051812743973542],["c(COc3ccc",-11.052048237610038],["NCC(O)CO",-11.052062630236954],["NC(=O)/C(=C\\",-11.052069885463528],["(N2CCCC2)",-11.052095970977849],["C(=O)Nc1ncc(",-11.052226716765684],["▁O=C1NCC(",-11.052281447066878],["C(=O)Nc3nccs3)",-11.05233453095347],["c(N/N=C/",-11.052335180135152],["[C@H](c2ccc",-11.052346095098528],["N2C[C@H]3C",-11.052363977918665],["C(=O)N2CCCC2)c1",-11.052506457783377],["▁CCCc1c(",-11.052597739433796],["[nH]c2cc",-11.052785631106074],["CCOCC2)cc1",-11.052814237530455],["OC(N)=C(C#N)C1",-11.052897136574105],["c3cccc(F)c3)C2)",-11.052923930180508],["▁CC(=NN",-11.052952831878848],["▁CC1CCCC(NC(=O)",-11.053036753600612],["▁CCC1(C)C",-11.053162363890268],["▁COCCOc1cc",-11.053292525510813],["C(=O)OC1",-11.05335581136385],["▁CC(C)[C@H]1",-11.05337783989708],["▁O=C([C@H]1C",-11.05339206806802],["Nc1ccc(F)c(",-11.053450026430294],["▁C[C@H](CS)C(=O)",-11.05345742533218],["N(S(C)(=O)=O)",-11.05345762450312],["nc3[nH]cnc23)c1",-11.053547564776125],["▁CCNS(=O)(=O)",-11.053606634107418],["3ccccc3oc2=O)",-11.053826785001252],["2cc(Cl)cc(Cl)c12",-11.053855169552833],["[C@@H]3C=C",-11.054043759001434],["c2ns",-11.054085548478245],["▁Cc1nc2cc(",-11.054160318915546],["cc2OC)cc1",-11.054187067010131],["c3oc",-11.0542437617437],["▁O=C(NC1CC",-11.05430434863624],["[S+](C)[O-]",-11.054325254715836],["c(-c2cc(-c3cc",-11.05469121907117],["c2ccccc2O)c1",-11.05473775589324],["▁c1ccc(-c2nn",-11.05476748979252],["c2c(O)cccc12",-11.054816969015466],["c1nc2c(s1)CC",-11.055008201158271],["▁Cc1ccc(OC(=O)",-11.055051456808268],["▁C1CC",-11.055117890287796],["c1cc(C)n(-",-11.055149414085443],["C1CCN(C(=O)c2cc",-11.055173115597148],["[n+]([O-])c(",-11.05517902745208],["[C@H]1[C@@H](O)C",-11.055185412471117],["Nc1cc2[nH]nc(N",-11.055213036698948],["S/C(=C\\",-11.055371185322542],["▁C[C@@]12C",-11.055548074097288],["NC(=O)C2(C)C",-11.055553723544657],["c1ncc(Cl)",-11.055675830524308],["▁CN(O)C(=O)",-11.056071125220134],["3CCC3)",-11.056071923377],["▁c1csc(-c2n",-11.0560970807575],["N(CC(=O)NO)",-11.05621403544134],["c(-c2cccs2)n1",-11.056253025699307],["c(-c3ccc(C)cc3)n",-11.05648407984608],["C(=O)c1ccccc1F",-11.056515347215104],["C3CC3)C2)",-11.057078917362803],["/C1=C\\c1ccc(",-11.057138002864],["▁CCCCC1",-11.057327311292896],["▁Cc1nn(C)c2c1",-11.057465674200271],[")OO2",-11.05749527582622],["N(CC)CC)",-11.057568246424427],["Nc1ccccn1",-11.057669653242389],["c1ccccc1OC(F)F",-11.057891810167046],["C(c1cccc(F)c1)",-11.057923421103713],["C[C@@H]2C1=O",-11.05793424294855],["[C@@H]1CC=C",-11.05799254646243],["-c1ccccn1",-11.058165577890437],["▁CCOc1ccccc1OC",-11.0581912944762],["(Cl)c(Cl)c2)n1",-11.058288487649309],["c3O)",-11.058458938199932],["c2ccc(N3CCNCC3)",-11.058615038508728],["C(=O)Nc1ccccc1C",-11.05865781934793],["c3c(N)ncnc3",-11.058668646408076],["n(C)c(=O)c2",-11.058813431984142],["▁CCc1nnc(",-11.058839040545347],["▁O=C(O)CCc1ccc(",-11.0588476221395],["n[nH]c1=S",-11.058949125988402],["▁COC1=C(C)C(=O)",-11.05911490912045],["cc2nc1C",-11.059216216841234],["[O-].",-11.059255381093315],["▁Cc1c(O",-11.05943150296448],["C(=S)Nc1ccccc1",-11.059556506447567],["▁CC(C(=O)NC",-11.05963156630093],["▁S=C1N",-11.059639483684425],["▁O=C(O)CCCC(=O)N",-11.05986371842674],["nc1SCC(=O)N",-11.059926678999364],["C(=O)NCC1(",-11.059941960610994],["[n+]3",-11.060048388715254],["c1ncnc2c1ncn2C",-11.060142684477492],["c3no",-11.06039822438062],["▁O=C(NCCc1c",-11.06048875433643],["C4=CC(=O)CC[C@]4",-11.0606240169441],["c1ccc(O)c(-c2cc",-11.060652899512029],["C/C=C(\\C)CC/C=C",-11.060713364380966],["CCCC1=O",-11.060733375813406],["ccn2)c1",-11.0609110203055],["[C@H]4[C@@](C)(C",-11.0610605493446],["▁CC(C(=O)",-11.061093077072371],["N1Cc1ccco1",-11.061302480055058],["Cc1cn(-c2cc",-11.06136641602556],["oc2=O)",-11.06141150116492],["C(=O)CSc1n",-11.06144842437264],["cnc23)",-11.061556482413508],["c1cnc(-",-11.061558621127135],["Cc1n[nH]c2c1C(",-11.061648167480424],["C4(C",-11.06184533673537],["(Cl)c(Cl)c2)C1",-11.061884058092426],["▁CCCOc1cccc(",-11.061899513466866],["▁CCc1[nH]",-11.061936855190687],["2)c(C)o1",-11.062010587026553],["CNC3=O",-11.062139915946297],["▁OC(c1ccc(Cl)cc1",-11.062167447177671],["▁O=C(Nc1ccccc1)O",-11.062337744422235],["▁C=CCn1c(S)nnc1",-11.0623422201709],["C[C@]3(C)",-11.062465580742014],[")cc(OC)c1O",-11.062616260781036],["N1CC(C)OC(C)C1",-11.062793378645244],["CNCCCCNC",-11.062965512646851],["▁Cc1ccc(-c2noc(",-11.063098818916664],["C1=Cc2ccccc2OC1",-11.063267124535246],["oc2n1",-11.063285637054207],["/N=C/c2ccco2)",-11.063471825789454],["CC/C(=C\\",-11.063502640414791],["▁CCOC(=O)c1csc(N",-11.06375347588711],["c3ccc(O)c(O)c3",-11.063838276378965],["c1ccc(O)c(O)c1-3",-11.063857373879046],["▁NC(=O)c1nn",-11.063911373556266],["▁Cc1cn2cc(",-11.063927416101423],["(C)[nH]c(C(=O)OC",-11.0639405747391],["c(-c4cccc(Cl)c4)",-11.06400834224454],["c1ccccc1)c1cccc(",-11.0640289316997],["O[C@@H]2O[C@]3(C",-11.064057681252574],["c1ccc2nonc2c1",-11.064072738626084],["c(OCc3ccccc3)c2)",-11.064303265340811],["N2CCSCC2)cc1",-11.06432719732834],["c1ccccc1I",-11.064336914700611],["c1ccccc1)c1",-11.064546167570228],["▁Cl.Fc1ccc(",-11.064576587373905],["[n+](C)c2c1",-11.064847418248586],["c2csc(N)n2)",-11.064861773452847],["▁Oc1ccccc1CN",-11.06496089589043],["c1nc3ccccc3",-11.065061589257422],["CO)ccc1O",-11.06510771369052],["C(c1ccco1)",-11.065244053979487],["nnn1C",-11.065453599045345],["c(-c2csc(NC(=O)",-11.065466087576064],["(-c2ccc(C)cc2)",-11.065524893372316],["c1ccc(OCC(O)CN",-11.065554382769935],["C[N",-11.065579137021524],["C(c3ccco3)",-11.065629265649449],["▁CCn1c(SCC(=O)",-11.065734682798244],["c1ccccc1)C(C)C",-11.065780309300266],["CN2C(=O)NC3(CC",-11.06620004718336],["C(c3ccccc3)=N",-11.066558607844874],["CSc2nnc(",-11.06660577796313],["cc2cn1",-11.066649840433133],["C/C=C(/C)C",-11.066805260267516],["▁CC(=O)Nc1ccc(-",-11.066956678297323],["▁CS(=O)(=O)O.",-11.067075199450173],["▁CCC(C)C",-11.067102809312852],["NCCN2CCOCC2)",-11.0671802634279],["-c2nccnc2C2CN(c3",-11.06727500446271],["N2CCCC2)CC1",-11.06731563370802],["c1ccccc1)NCC",-11.067367442807548],["SC(=S)",-11.067563103872027],["\\c(O)c(O)\\c1=N/",-11.067659343737969],["c2ncnc(N3CC",-11.067768083337697],["▁OCC1C",-11.067903043652487],["nc(N3CCN(C)CC3)",-11.06800883688695],["3)CC2)",-11.06820295468276],["▁Cc1cc(C(=O)CO",-11.068559306428655],["c3c2)CC1",-11.068597233473524],["c1nc2cc(Cl)c(Cl)",-11.068684490747938],["c2nnc3s",-11.06870206390223],[")(C(=O)NO)",-11.068718627789504],["c2c1CCNC2",-11.068797760737803],["Oc1cccc(-c2nc(CN",-11.068825459266233],["c1cccc(O)c1C2=O",-11.069030362188911],["NC(=S)NC2=O)cc1",-11.069103437832732],["c4[nH]ncc34)",-11.06910382557857],["[C@@H]1C[C@@H](O",-11.06921937101832],["C1CC1)C2",-11.06923535518817],["-c2ccc(OC)cc2)",-11.06926319346464],["CC4CCCO4)",-11.069312460954912],["c2cc(C)cc(C)c2",-11.06940478141484],["S2(=O)=O)c1",-11.069452202243468],["c3ccccc3C2=O)CC1",-11.069570119873248],["N1c2ccccc2C=C",-11.0695886513117],["CN1S(=O)(=O)",-11.069693508946326],["NC(c2ccccc2)",-11.06975368292651],["CC(=O)N12",-11.06979369217646],["s/c(=N\\C(=O)",-11.069798780201252],["cc(C(F)(F)F)n3)",-11.06984537435288],[")N[N+](=O)[O-]",-11.069988329056402],["3c(c2)OCCO3)C1",-11.070304621385755],["c3)cs2)",-11.070349609797429],["Cc1ccccc1)NC",-11.070361584182493],["c3ccccc3N2)",-11.070489500914386],["▁CC1CCCN1",-11.070596946364155],["c2nc3cc(F)ccc3",-11.070741919906164],["oc2=O)c1",-11.070876415129655],["c1ccccc1)N2C",-11.070956861858969],["c(-c3ccccc3)nc2",-11.070991252418803],["c(-c4ccc",-11.071042621576437],["c1nc(CN2CC",-11.071299930485957],["c1ccc(/C=C(\\C#N)",-11.07132397565726],["▁CCCCCN",-11.071383517051366],["[C@H](C(N)=O)",-11.071427853216717],["N2CCOCC2)n1",-11.071440146327763],["c1ccc(F)c(Br)c1",-11.071504883806083],["c2cc(C(=O)N(C)C",-11.071534364327189],["C(=O)N1c2ccccc2S",-11.071559211330564],["nc3[nH]ccc3c2n1",-11.071594030632042],["▁O=C(O)c1[nH]",-11.071826502685308],["▁Cc1cccc(C(=O)NC",-11.071878748115235],["C1C=CC(",-11.071900295241097],["C1(Cl)Cl",-11.071949655153484],["OCCOCCOCCO",-11.07195296534594],["S(=O)(=O)N2CCCC(",-11.071970105255245],["c2nc3c(c(N)c2",-11.07199688334066],["cnc23)cc1",-11.072217158974148],["/C=C/c1c",-11.072359853601943],["N1CCC2(CC1)CC(",-11.072447484551198],["c3nc(N",-11.07250925338829],["c[n+](C)",-11.072528284899493],["cc(=O)",-11.072579871548148],["c1ccc2c(cnn2",-11.072614018314464],["CCC[C@]12C",-11.072705649577577],["N/C(=N/",-11.072706665973133],["C1CCC(=O)N1C",-11.07295650635173],["▁N#C/C(C(=O)N",-11.072981080377929],["C5=",-11.073095127649168],["c(C)n4)",-11.073118824696405],["▁FC(F)(F)Oc1ccc(",-11.073189992313008],["(C(F)(F)F)ccc1Cl",-11.07323108319787],["▁CN(C(=O)COC(=O)",-11.073257500335403],["▁[O-][S+]1",-11.0732609838631],["▁O=C(C1CC1)",-11.073312051334636],["c2ccc(Br)cn2)",-11.073362060641193],["2C(C(=O)[O-])=C(",-11.073577511516858],["▁CC1=C(C",-11.073606327241883],["C[n+]2ccccc2)cc1",-11.073651113303256],["-c2ccc(C)cc2)cc1",-11.0739269895857],["c13)C2",-11.073991992691909],["c2nc3n(c(=O)c2c1",-11.07412938641723],["(=O)c1c(C)[nH]c(",-11.074177183317666],["N[C@H](C(=O)O)",-11.07420496302373],["c1sc2nc",-11.074298360192255],["C3CCCNC3)",-11.074300152043126],["▁O=c1nc(",-11.074302621755592],["n2cncc12",-11.074350643284642],["c4ccccc4)c",-11.074494905757348],["c2Cl)",-11.074497509128385],["c(OC(C)=O)c1",-11.074635207055536],["▁COc1cc(NC(C)CCC",-11.074653283900725],["Sc3ccccc3",-11.074677038078164],["CN4",-11.074779962877686],["c(/N=C/",-11.07479263380904],["c1nc2ccccc2nc1N",-11.074836557853446],["[C@@H]2[C@@H](C",-11.07502358235858],["c2c(ccc3c2",-11.075192509219908],["▁O=C1NCN(c2cccc",-11.075419299340243],["C[C@H]1C2(C)C",-11.075435279747929],["-c1ccccc1F",-11.075617754149096],["N1CCCC[C@@H]1",-11.075713826014963],["nn3c2",-11.075739509909766],["(-c2ccc(Cl)cc2)c",-11.075865196358428],["[C@@H]3CC[C@@H]4",-11.075900966165548],["CCC1(C)C",-11.076002228487084],["n(-c3ccccc3F)",-11.076006816973212],["Cn2cncn2)cc1",-11.076088256143525],["C3=O)n1",-11.076097283516916],[")CC(C)C",-11.076117872783389],["▁CCOc1ccc(CN",-11.076202413522598],["C2(c3cccc(O)c3)C",-11.07628344691566],["▁NC(=NOC(=O)",-11.076491748143052],["OC(=O)/C(C)=C\\C)",-11.076547754582434],["▁COc1ccc(CNc2nc",-11.076579399187183],["c1ccc(CNC",-11.076648855794838],["C(=O)C2CC2)",-11.076704961140203],["N2Cc3ccccc3C2=O)",-11.076904532412865],["C1=NOC(",-11.076929183013403],["CC(C)(C)CC2=O",-11.07711000043206],["c2ccccc2o1",-11.077206046354558],["▁COC(=O)c1n",-11.07723898330266],["c(N5CCOCC5)",-11.077324849169404],["C[C@@H]1c1ccccc1",-11.077372521767806],["▁CCCCC/C=C/",-11.07741545872864],["▁CC(CO)(CO)NC",-11.07755073446457],["▁CN(C)C(CNC(=O)",-11.0775972963756],["[C@@H]32",-11.07763304185334],["c1ccc(OCc2cc",-11.07763331596298],["CCN=C2",-11.077658564275865],["c(C(=O)c2ccccc2)",-11.077683456861466],["ccc45)",-11.077742071539586],["c23)C1=O",-11.077962794979438],["COc1ccc(Cl)cc1)N",-11.07810984460841],["C(CO)O",-11.078139012958658],["▁Cc1n[nH]c(C)c1C",-11.078384135110335],["▁CC(C)Cn1c",-11.078455577988231],["▁O=C(NC1C",-11.078550367210196],["CCCc1c[nH]cn1",-11.078758460231736],["▁O=C(O)[C@@H]1",-11.078829895301189],["▁Cc1ccc(NC(=O)CO",-11.078840688151711],["c2c(c1)OCCCO2",-11.07888336557485],["CC(O)CN",-11.078947681502406],["C2=NCCN21",-11.07904310388844],["c2ccccc2)CC1)N",-11.07916779957142],["▁Oc1nc2c(",-11.079169044917936],["c(=O)o2)cc1",-11.079207846349004],["c1ccc2[nH]cc(",-11.079261425248252],["C4CC4)CC3)",-11.079658098424108],["▁CC1(C)CCC",-11.079790716828768],["CNc1ccc(",-11.079862360580696],["c(C)c4",-11.079951733191532],["c2c(F)ccc(F)c2",-11.080001884282291],["c(C(C)O)",-11.080019325175652],["▁Cn1c(N",-11.080038324798622],["c1c(F)cc",-11.080146626513784],["c1ccc(F)nc1",-11.080229174961872],["cc2nc(N)nc(N)c12",-11.08026536637982],["c1ccc(OCC(=O)N",-11.080393540086014],["C1c1cccnc1",-11.080464840747872],["[C@@H](n2c",-11.080502053631452],["[C@H](O)c1ccccc1",-11.08054401747686],["C[C@@H]1O2",-11.080703382352436],["(NC(C)C)",-11.080704480966489],["c2cccc(O)c2)c1",-11.080769497040832],["▁COc1ccc(-c2co",-11.080849540925165],["▁Oc1nc(",-11.080984892424052],["ccc1N1CCCC1",-11.081051760003929],["(NC(=O)C(C)(C)C)",-11.08122911453518],["▁Nc1ccc(N",-11.081303374459432],["▁N#Cc1n",-11.081324749227434],["Nc1cc(C(F)(F)F)c",-11.081426421783632],["c2c(Cl)cc(Cl)",-11.081582807621736],["n1nc2c(cc1=O)CN(",-11.081600122889038],["c2c(C)noc2C)cc1",-11.081605986425654],["[C@@H]2CC[C@H](",-11.08167711251405],["▁Cc1c(C#N)",-11.081885322633187],["▁CC(=O)N1CCC",-11.0819929447898],["▁Oc1ccc(Br)cc1",-11.08205906628622],["O)C1=O",-11.082103972978402],["(C(N)=O)c(N",-11.082123124923363],["▁Cc1[nH]c(",-11.082162976738957],["cc3Cl)noc2C)",-11.082208418158114],["CC/N=C(\\S)N",-11.082287515758036],["C(=O)O)c(=O)c2c",-11.082446015435472],["▁CN1C(C(=O)N",-11.082530514192625],["CCN(C)C2",-11.082637436051524],["c1c(O)cccc1O",-11.082655293814328],["Nc1nc(N)n",-11.08280858392922],["c1ccc2nc[nH]c2c1",-11.083123526285355],["c1cc(C(C)C)",-11.083368621030363],["c2)N1",-11.083467902516857],["c2cc(Nc3cc",-11.083745721586702],["cc(Cc2n[nH]c(=O)",-11.083748869963564],["c2ccc(NC(C)=O)c",-11.083766767988635],["CCCCOc1ccc(",-11.083881006531712],["c2cc3cc(Cl)ccc3",-11.083956511916416],["[C@@H]2[C@H](O)",-11.084024064400472],["NC(=O)[C@H](N)C",-11.084077986914664],["nc3c2c1",-11.084088967299817],["▁Clc1cc(Cl)",-11.084099387179522],["N1CCC[C@@H]1",-11.084169125163172],["▁CC12CCC(C(=O)N",-11.08441630695015],["[C@@H]1[C@H]2C",-11.084421656674298],["-c2ccc(O)cc2)cc1",-11.08457156308864],["c(Nc3ccc(Cl)cc3)",-11.084600798185615],["CC2C)c1",-11.08464089852325],["▁Cc1ccccc1-n1",-11.084657322522924],["c1nc2ccccc2nc1O",-11.08468865904068],["CO[C@@H](",-11.084729068906295],["nc2ccnn12",-11.084959170559154],["N2CCC(C)CC2)cc1",-11.085008688065],["c2sc(C)c(C)c2",-11.085065534276222],["CCOc1ccc2c(c1)CC",-11.085080568291175],["c1ccc(O)nc1",-11.08511640649686],["▁Cn1c(CO",-11.085136581949694],["c2)ccc1F",-11.085162308685128],["▁Cc1cnc(C(=O)OC",-11.085282357356174],["c1ccccc1)N1CCCC1",-11.08540620204353],["c(N=N",-11.08542201806352],["c2cccc3[nH]c",-11.085422731812166],["▁Cc1cnccc1",-11.085484743008916],["c2sc(-c3ccc",-11.085631742713293],["c1c(C)nc(-",-11.085745232418148],["▁CO[C@@H]1O",-11.08578365583259],["n(-c3ccccc3)c2n1",-11.0858602341525],["nc3ccccc3[nH]2)",-11.085919876750982],["[C@@H](/C=C/",-11.086039711312026],["cccc2Cl)c1C(=O)N",-11.086173974402673],["C2CC=C",-11.086222055124454],["▁Oc1ccccc1-",-11.08622534466469],["C(N)C(=O)O",-11.086263758136958],["[C@H]3[C@H]4",-11.086336574239748],["▁NC(CC",-11.08639841352959],["(CCNC",-11.08639880938674],["▁CC(C)COc1ccc(",-11.086433652345116],["cc23)C1",-11.086437407931664],[")c1nc",-11.086549858081272],["C(CO)C(O)",-11.086691110864372],["▁O=S1(=O)CC",-11.086700856936789],["[C@H]2CN(C(=O)",-11.086727559325698],["[C@@H](CCC(=O)O)",-11.08679015038031],["c2cn(C)cn2)",-11.086811849517789],["CC3SC(=O)NC3=O)",-11.08693628239907],["C(=O)[C@H]1",-11.087002947584487],["c1c(O)c2c(",-11.087140884444008],["C1=O)c1ccccc1",-11.087259276584064],["▁COc1cc2c3c(",-11.087337643380254],["N(Cc2cccs2)",-11.087392780007246],["O[C@@H]4",-11.087426364869383],["C(=O)[C@H]2",-11.08744129321163],["c3nccc(N",-11.087480686866847],[")CC[C@@H]32)C1",-11.087526109891398],["▁CCOC(=O)/C(=C/",-11.087636445802826],["C1(c2ccccc2)CC",-11.087698011019492],["c2ccccc2)NC1=O",-11.0877613838312],["▁CN1C(=O)N(",-11.087765004890112],["▁CCn1cc(CN2CC",-11.087825683061451],["▁CCOc1ccc(-c2nc(",-11.087968669455812],["c2ncccc2C)",-11.088201487974343],["O[C@@H]3C",-11.08844120146818],["c2cc(C)ccn2)",-11.088588049632737],["(=C\\",-11.088595355250476],["c2ccccc2)[nH]1",-11.088599636292916],["▁CC1=CC(=O)N(",-11.088862845357896],["c2nsc3ccccc23)",-11.08893592938043],["▁O=C(Cn1nc",-11.08931275993008],["▁COc1ccc(C(=O)CC",-11.089340697030096],["Sc1n[nH]c(-",-11.089398004901824],["sc(-c2ccccc2)n1",-11.08941030831382],["▁COC(=O)N/N=C/",-11.089540159178563],["c1ncnc2sccc12",-11.08955297849054],["3)ccc21",-11.08959331507217],["(C)c(Cl)c(C)",-11.089789174590004],["c2c(OC)ccc(OC)c2",-11.08988441734165],["[C@@H]3C2)",-11.09001855418403],["C[C@@H]1C2(C)C",-11.090064404232862],["nc3n2",-11.09012599517922],["[C@@H]1[C@H]2",-11.090141763012015],["[C@H]3[C@@H]4C",-11.090363505744062],["▁CN(Cc1c",-11.090394479927111],["[C@H]1CC[C@H](O)",-11.090397969402016],["c4[nH]c5ccccc5c4",-11.090405210661448],["(N=C3NCCN3)",-11.090438282827012],["▁CC/C(=C\\",-11.090452880759084],["N2CCN",-11.09045700120554],["c1nc(N)c2ncn(C3",-11.090521066229098],["▁O=C1CN=C(",-11.090560991255192],["2CCc3ccccc32)cc1",-11.090561707044914],["cc13)CCCC2",-11.090602003950076],["n1c(O)n",-11.09061911690906],["/N=C1\\S/C(=C\\c2c",-11.090696596853672],["nn(C)c3",-11.09081212178866],["▁Oc1ccc(/C=N/N",-11.090976370420549],["c2ccc(C(=O)NO)",-11.090983112383045],["▁Cc1ccc2[nH]c(SC",-11.09103376308465],["C2=O)cc(OC)c1",-11.091063441961012],["c1cnn(C)c1)",-11.091122481491546],["c3ccc(-c4n",-11.09117454249132],["c1c2c(nc3",-11.09117716399916],["CN(CC)C",-11.09123470973899],["▁CN1CCN(c2nc(N)",-11.091247959494549],["▁Cc1csc(N",-11.091344046697072],["C[C@@H]2CO",-11.091490836537233],["C2=CC(=O)C",-11.091618147164771],["n(-c2n",-11.091658856254227],["CCN4C",-11.091732848011889],["CO/N=C(\\C)",-11.091861195545103],["/C(S)=N\\",-11.091893687351323],["CC1CCO",-11.091908992929934],["c3[nH]nc(",-11.091996194871566],["ON1C",-11.092054018843449],["O[C@@]23",-11.092166582177551],["c(C)c(C(=O)O)",-11.092293495836287],["Nc2nc(N)",-11.09252365631816],["(=O)OC",-11.0925764915842],["(NC(=O)C(C)C)",-11.092580980746517],["c(-c2ccccn2)nn1",-11.092652459889427],["CNCCCN",-11.092787628824212],["n(CCC",-11.09294102551704],["[C@@H]2CCN(C",-11.093048820989331],["N=C=S",-11.093062853905543],["c1cc(NC(C)=O)",-11.09308407976332],["c2ccc(OC)c(O)c2)",-11.09316648082749],["C#Cc1c",-11.093199896592004],[".CS(=O)(=O)O",-11.093250671569438],["Nc1cccc2ccccc12",-11.093342289684887],["SCCS",-11.093531564014656],["C12O",-11.093603633395926],["▁N#Cc1ccccc1OC",-11.09365840625206],["c(CC(=O)O)c1",-11.093852977624367],["C(=O)NC2CCCCC2C)",-11.093947059961843],["C[N+](C)(C)C)C",-11.094053995578474],["c(Cl)nc2c1",-11.094076540482533],["▁NC1C",-11.09414731245295],["▁COc1cc2[nH]",-11.094183973358115],["C1(CO)C",-11.094187124502357],["/C(=N/OC",-11.094255692731828],["▁CCCCC#C",-11.09442713466047],["c(-c3ccccn3)n",-11.094447271113552],["c2cncn2",-11.094577463671374],["▁Cn1cc(NC(=O)",-11.094582972760415],["c3cccc(F)c3F)",-11.09465395376052],["▁C[C@H](N)C",-11.094692619807386],["c3cccnc3)CC2)cc1",-11.094700049877437],["c(c34)",-11.094715153536631],["C1CC(=O)N(c2ccc",-11.094781580226648],["CCCNCC",-11.094892293816647],["c2ccc3ncsc3c2)n1",-11.094945548093945],["cc(=O)c12",-11.095045607291476],["c(C(=O)[O-])c",-11.095250053292254],["CO)C1",-11.095478154095172],["/N=C2\\C(=O)N",-11.095505958008411],["c2nsnc2",-11.095570235144269],["oc4",-11.095658471785196],["[C@@H](O)[C@H]3",-11.095711148536935],["=NC2",-11.09592619545748],["[C@H](O1)",-11.09594482056746],["c1c[nH]nn1",-11.09601028515602],["NC(=O)c2ccc(C",-11.096173412984252],["N2CCOCC2)o1",-11.096282891888112],["▁O=S(=O)(c1cc",-11.096296908507664],["n2cc(-c3ccccc3)",-11.09641589993918],["C(=O)NNC(=O)N",-11.09662793637276],["c(/C=C3\\",-11.096691510018813],["▁C[n+]1cccc(",-11.096867138718684],["▁CN(C)C(=O)CO",-11.096991786503716],["NC(=O)CN1CCN(",-11.097077614811706],["C1CCC2=O",-11.097141055433504],["c3)no2)",-11.097221745704305],["c2nc(Nc3ccccc3)",-11.097607618589162],["c3c4ccccc4n",-11.09765506101478],["C(CCO)",-11.097901604581846],["▁Cc1nc2ccccc2nc1",-11.097906951601146],["c2nc3c(s2)CCCC3)",-11.09800102216478],["(F)cc3)CC2)cc1",-11.09802515981265],["c(C#N)c(Cl)c1",-11.09803239504727],["N2CCC(Cc3ccccc3)",-11.098136813523231],["H]1C)[C@]42OO3",-11.098307285022006],["c1ccc2c(c1)CN",-11.09835605902099],["C34",-11.09847694330423],["c2cc(C(=O)N3CC",-11.098541419747114],["NC(N)=O",-11.098563823162534],["n1)N",-11.098695298066389],["▁CCc1cccc(N",-11.098813217905263],["/c1=N\\",-11.098832012801836],["C(=O)N(CC(C)C)",-11.09897363032594],["c2sc3c(c2c1=O)CC",-11.098990666108357],["c1ccc2sc(",-11.09903832740698],["c(-c3ccccc3F)n",-11.099072637797876],["P(=O)([O-])[O-]",-11.09921733084398],["▁COC(=N)",-11.099263195652531],["[C@H]1C[C@H](n2c",-11.0992792579967],["C(=O)c1cccn1C",-11.09929211542886],["c2cc(Oc3ccccc3)c",-11.099349596173408],["c1c(O)cc2c(c1O)",-11.09952678838188],["N1CCC(CNC(=O)",-11.09967644528419],["c(F)c2)cn1",-11.09974138710815],["c2cc(C(N)=O)ccc2",-11.099869744845938],["▁CCOC(=O)[C@@H]1",-11.099907929885887],["Nc2nccc(",-11.100009624875952],["▁CCC(C)(C)C(=O)",-11.100042224091007],[")C1CCN(",-11.10016572060596],["nc2c1c(=O)n(C",-11.100208313522543],["c(-c2cccc(O)c2)",-11.100309783035456],["C1=NC(=O)",-11.100402278854505],["[C@@H]2OC",-11.100482001239683],["CC2)n",-11.100589584974346],["cc2nc1O",-11.100685152349667],["sc2-",-11.10081458750627],["▁CCCN(C(=O)",-11.100820959326388],["c2c(OC)c1OC",-11.100923464425968],["C(C)(C)NC(=O)",-11.101013631600708],["▁Cc1cn([C@@H]2",-11.101016303867423],["[nH]c3=O)",-11.101040860064805],["▁CC1=CC(",-11.101100472392703],["c(Cc2ccccc2)",-11.101113363950498],["c3nc4cc",-11.101125730655792],["oc2C)",-11.101317009687964],["c3cccnc3Cl)",-11.101360516382265],["CC(O)c1cc",-11.101379891750298],["▁COc1cc(C(=O)OC",-11.101386427344549],["n3c(=O)[nH]",-11.101390240743406],["c2c(N)nc",-11.10144312076416],["▁Cc1cccnc1-",-11.1014925574857],["Cc1cnc2n1CCN(",-11.101500237603975],["-c2csc(N/N=C/",-11.1015204379814],["SC(=S)N1C",-11.101581266727472],["nn2-c2ccccc2)cc1",-11.10161347777729],["▁C=C(C)c1cccc(",-11.10163185070439],["c2ccccc2)sc1",-11.101705047342223],["c1ccc2c(c1)OCCC2",-11.101706833202256],["c2c(o",-11.101722117594132],["n(-c3ccccc3)nc12",-11.101727717218324],["C3CCCCC3)CC2)cc1",-11.101732234190338],["n2sc3ccccc3c2=O)",-11.10187391073392],["c1c(OC)c",-11.101885592310817],["C4(",-11.101991174986312],["▁O=C(OCC(=O)",-11.102021939588564],["C(O)CNC(C)(C)C)",-11.10204660692186],["/N=C/c1c(O)cc",-11.102124585167886],["c2ccccc2C)CC1",-11.102194848263846],["c4cnccn4)",-11.102291711018342],["▁Cn1cc(-c2ccc(C",-11.102326137202642],["▁Cc1cc(Br)ccc1",-11.102366883753891],["▁Nc1cccc2c1",-11.102401591552177],["c4nccnc4",-11.10240303314274],["c(-c2cccnc2)n1",-11.102502196687215],["C3CCCCN3)",-11.102632838388152],["2CCC(C)CC2)",-11.102639688962704],["c2ccoc2",-11.10271947924972],["Cc2cccs2)c1",-11.102756485468332],["C(=O)NC1CCN(C",-11.1028735709828],["(=O)[nH]",-11.10293068140023],["(O)[C@@H]2O)cc1",-11.102964929757654],[")c(O",-11.10312006780436],["n2c(n",-11.10321073077452],["S[C@H](CO)",-11.10341722473709],["C(c1ccccc1)=NC",-11.103441758725666],["CSC1=N",-11.103461608880856],["c2c(C)cc(C)cc2",-11.103550298961435],["▁CCOC(=O)/C=C\\",-11.103569211197629],[")NCC(O)",-11.10369260804953],["4)C3)",-11.103723216338745],["cc2Br)n1",-11.103942122442469],["c2=O)cc1OC",-11.103973321633712],["cc2c(c1",-11.10405170586559],[")OC2=O",-11.104147791990515],["C(=O)NC(=S)NC1=O",-11.10435969672089],["▁Cc1ccc(Oc2nc",-11.104413677997194],["▁O=P(O)(O)C(O)(C",-11.104417884575698],["▁Nc1cccc(-",-11.104495308634498],["c(C)cc12",-11.10458774973852],["cc3c12",-11.10469437966347],["nc4cc(Cl)ccc34)",-11.104700919429158],["▁OCCCN",-11.104750574006914],["c1cc(Cl)c(N)cc1O",-11.105003942505869],["CCCc3ccccc3)",-11.105129909590246],["▁COc1ccc(-n2c(C)",-11.105140190238068],["▁COc1cc(Br)c",-11.105366443532589],["▁CCn1cnnc1CN",-11.105373070111035],["c2ccccc2)SC1=S",-11.105422260363092],["[C@@H]2COC[C@]2(",-11.10542879889352],["nc(C)n2)",-11.105616202443102],["cc2F)CC1",-11.10574057745103],["c3n(c2=O)CC",-11.10577203863323],["(C(=O)NC(C)C)",-11.105836441367591],["c1cc(S(=O)(=O)",-11.105887937581134],["Nc1c2ccccc2nc2cc",-11.10597194667507],["(CC(=O)OC)",-11.106067889964285],["(CCC(C)C)",-11.106108080318997],["C(O)(C(F)(F)F)C1",-11.106231978634971],["c1nn[nH]n1)",-11.106241184443313],["[C@@H]2[C@H](C1)",-11.106483555908792],["▁COc1ccc(C(=O)CS",-11.106558203216098],["/N=C/c2ccccc2)",-11.10680537936988],["c(Cl)c(-",-11.106826308028564],["[N+]2",-11.10690773109748],["▁CCC(C)S",-11.106964075115524],["c3)cnc21",-11.106984496636793],["OCCOCCN",-11.107126243318156],["C(NC(=O)c1ccco1)",-11.10715720690667],["C(=O)CCCCCC",-11.1072011555346],["=C(N2CC2)",-11.1072542305328],["▁C[C@H](CO)",-11.107291633130474],["[C@H]3[C@H](C",-11.10746106211528],["▁O=C(NCCN1CCN(",-11.10777403829074],["▁Cc1cc(=O)n2nc(",-11.107820476117157],["C(=O)Cn2nc",-11.10794307679381],["N(Cc1cc",-11.107970074058851],["[n+]2ccccc2)",-11.107978965178503],["c3nc(C)cs3)",-11.107991976579957],["c2ncc(-c3cc",-11.108234092741142],["c1ccc(N2C",-11.108277606310663],["C(C)(C)C)C1",-11.10833916169876],["c(NCCN)",-11.1083499579508],["C2CN(C",-11.10850988117408],["C(Cl)(Cl)",-11.108538550259423],["▁N#Cc1c[nH]",-11.108556468562648],["c1nn2cc(-c3cc4c",-11.10860779839954],["/C1=N\\N",-11.108639503157177],["=[N+](",-11.1086533007132],["/C2=N/O",-11.108671922503232],["c2nc(O)c(O)nc2",-11.10890309263274],["Cn1c(=N)n(C",-11.109160286600645],["NC(C)=C(C(=O)OCC",-11.109165101440894],["c2ccc(Nc3n",-11.109476251873907],["nc(N(C)",-11.109607279569108],["@H]4CC[C@H]3C4)",-11.1096647188591],["c2ncnc3c2ncn3",-11.109678903356889],["2O)cc1",-11.109703594437669],[")N/N=C/c1ccccc1",-11.109760706308483],["▁Cc1coc2c1",-11.109815305470288],["c(-c3cc[nH]n3)",-11.109873597347484],["[n+](C)c1",-11.109929963578027],["▁Cc1[nH]n",-11.109953584117193],["c1cccc2[nH]c(-",-11.109969580281524],["▁N#Cc1cc(F)cc(",-11.109971987956865],["▁Oc1cccc(-c2cc",-11.11002297227559],["ccc1-c1ccccc1",-11.110040800808392],["c(-c2ccccc2Cl)n1",-11.110445581851536],["c3ccccn3)CC2)c1",-11.11046552822483],["Cn1c(N2CC",-11.110576353470837],["COc1c(Cl)cc(",-11.11062875377797],["NCC1CCCO1",-11.110706019817188],["c(-c2ccco2)n1",-11.110919874484347],["c2ccc3[nH]ncc3c",-11.110921303150697],["C[C@@H]2CN1C(=O)",-11.11117849958433],["▁CCOC(=O)C(=C",-11.111183060230967],["▁Nc1nc2c(s1)C",-11.111194418934843],["▁C[C@@H]1N",-11.111267907388886],["▁COC(=O)c1cc2c",-11.11145255026234],["▁Cc1c(S",-11.111463598845592],["S(=O)(=O)N2CCCC2",-11.11153033667513],["[C@]21",-11.11154611262204],["c4ccc(C)cc4",-11.111553622935253],["▁Cc1noc(C",-11.111571667232004],["▁C=CCN(",-11.111636430346838],["C2Cc3ccccc3",-11.111724378387894],["▁Cc1cccc(C2",-11.111979694871058],["CCc4ccccc4)",-11.11200914067891],["▁CN1CC2C",-11.112477105635683],["c1cc2c3ccccc3",-11.112568145290084],["▁Nc1ccccc1-",-11.11262557354421],["▁O=C(O)c1c[nH]c2",-11.112661622466424],["▁CN1CC[C@H](",-11.112687224221991],["CSc2nc3ccccc3o2)",-11.112755281020164],["(F)cc2)n1",-11.112888927984793],["▁CCc1nnc(NC(=O)C",-11.112946928141229],["-c2ccccc21",-11.11302457763351],[")Nc1nc2ccccc2s1",-11.113106455142598],["NC(=O)C3CC3)",-11.113209134979066],["C(C)C(=O)O)",-11.113261088538852],["[C@]2(O)C",-11.113294165339315],["cc4o3)nc2",-11.11331866421328],["C2c2ccccc2)cc1",-11.11346971897159],["-c1ccccc1SC2",-11.113546228412211],["c3cc(N)ccc3",-11.113563164025672],["C(O)c2nc(-c3ccc",-11.113858479420692],["▁Cc1ccccc1-c1cc",-11.114030511387243],["C(C)=C(C(=O)O",-11.114159064589987],["SS1",-11.114387449326944],["cc(-c2c",-11.114504906974364],["▁CC(=O)N1CCCN(",-11.114516688232658],["▁CC1(O)",-11.114625974240246],["C(=O)Nc2ccc(O",-11.11494068921441],["N3CCN(c4ccccc4)C",-11.114948708887107],["▁Cc1cc(SC",-11.115025624966773],["c2cc(F)ccc2N1",-11.11503643468345],["c2cc[n+](C",-11.115067170752308],["c2ccccc2N(C",-11.115190057762533],["[C@@H](C)OC(=O)",-11.115297914596702],["C(c1ccccc1F)",-11.11534351776238],["c3sccc3C)",-11.11536422582495],["3)no1",-11.115447259257497],["c1cc2n(n1)C",-11.115477266482328],["▁CC(=O)Oc1c",-11.115782809435476],["c(-c3ccc(NC(=O)N",-11.115826387845877],["C(=O)Nc3cccnc3)",-11.115902375007757],["(C2)C3",-11.11590509962985],["c3ccccc23)cn1",-11.11599108536056],["CCn1cccn1",-11.11610267469304],["CN2)cc1",-11.11615192882548],["N2CCNC2=O)",-11.11628641881884],["nc1OC",-11.116298548570924],["c1ncc2c(n1)CN(C",-11.116298828377229],[")C1CCN(C",-11.116313675830398],["▁NCCCCCC",-11.116378982818496],["c2ccc(Cl)cc2)N1",-11.116417747250562],["nc2cccnc21",-11.116476214468609],["c1cscn1)",-11.116605101105698],["c(CCO)c",-11.11665056648308],["c(-c3ccccc3)n2)",-11.116669384163512],["c3n[nH]cc3",-11.116724356164395],["c1ccc(C)nc1",-11.11673505751476],["c4ccccc4)ccc3",-11.116845577516486],["▁O/N=C(\\N",-11.116896369066833],["2)cc(OC)c1",-11.117077656696694],["COCc2ccccc2)",-11.11708594882734],["S(=O)(=O)CC(=O)N",-11.117115958898555],["▁CC(C)=CCO",-11.117174877176415],["CSc2nnc(C3CC3)n2",-11.117206207209248],[")=C2",-11.117259590073589],["c2nccs2)C1",-11.117464291048895],["c2c(C)cc(=O)oc2",-11.117633704422271],["3)c2)c1",-11.11769092878236],["c3cnn",-11.117711340323291],["▁C=C(C(=O)O)",-11.11778738548326],["▁C=CCC1(",-11.117840498270674],["2CCCC2",-11.117896832740817],["n1c(=O)n(C",-11.117989803782107],["(C)[Si](C)(C)O",-11.118207124472717],["c2ccc(C#N)cn2)",-11.118216710802065],["CCCC1)C(=O)O",-11.11827258132114],["CN(c1ncccn1)C2",-11.11833091157725],["▁Cc1cc(C)nc(N2C",-11.118549844800253],["o2)c(Cl)c1",-11.118731908700465],["n1cnc2c1NC=NCC2O",-11.118735323053071],["C[N+](C)(C",-11.11877568671808],["C2NC(=O)NC(C)=C2",-11.118808931275186],["c2ccccc2)OC1",-11.118974492792235],["C(=O)C2=COCCO2)",-11.11901545332744],["CSc1nc(N)",-11.119043134733692],["▁Oc1cc(C",-11.119063727403006],["c1ccccc1-c1ccc",-11.11912863277166],["[C@@]21CCC(=O)O1",-11.119134981652191],["▁CCCC1(CCC)",-11.119152189560868],["=NC2=O)",-11.119172522752237],["c3cccc4cccnc34)",-11.11925208681716],["▁COCc1ccc(",-11.119278961746032],["/C1=C(\\O)O",-11.119363434911044],["▁Cc1ccccc1-n1c",-11.119470722434905],["C)cc2)cc1",-11.119649187287177],["c3ccc(O)cc3O)",-11.11966365802524],["c(Cl)c(Cl)c1Cl",-11.119839988746936],["CCc2ccccc2)C1=O",-11.119853530376384],["c(-c2ccc(F)cc2)c",-11.119855074124787],["n3)C2)cc1",-11.119950500713156],["c3ccc(O)c(F)c3)",-11.119963806562213],["▁CCCCCC(C)",-11.11996723114683],["/C(C)=N/NC(=N)N)",-11.120002075868635],["n(C)c(=O)n2C",-11.12009955796503],["c3c(-c4ccccc4)",-11.120156661354796],[")[C@@H]1CCCCN1",-11.12020246437078],["/C(=N/NC(=O)",-11.120869024653818],["c3cc(C)no3)",-11.120962642759103],["/C(=N\\O",-11.121121331776624],["Sc1nnc(-c2ccco2)",-11.121265119386024],["▁CCOc1nc(",-11.121304404941943],["nc3ccsc23)",-11.121405684867725],["▁Nn1c(SC",-11.121474016283273],["CCC2=O)c1",-11.12158285377934],["c2ccccc2c(=O)n1",-11.121662053473107],["Nc1ccccc1S2",-11.121686739039577],["▁CCSCC",-11.121928729481128],["N1CCN(C/C=C/",-11.12193110108467],["C(=O)c2c(O)cccc2",-11.12194875776528],["CCCC5)",-11.122057893892386],["C(=O)N2CCC3(CC2)",-11.122149001792268],["(NC(=O)c3ccccc3)",-11.1223858337233],["▁COc1ccc(-c2no",-11.12241625294949],["Nc1ncnc2s",-11.122688998140664],[")[C@H]1CCCCN1",-11.122728734171655],["nc2N)cc1",-11.12274869982558],["c2cc(Br)",-11.122777383158954],["C2O[C@H](CO)[C@",-11.122809107858332],["[C@H]1CCCCN1",-11.12284055772804],["N2CC(C)CC(C)C2)",-11.12331894899653],["c(CN(C)C",-11.123351390593855],["C(CC)CC",-11.123368293503384],["c2cccs2)s1",-11.12342835877573],["NC(=O)COc2ccc",-11.123525319118809],["(NC(=O)c2ccco2)",-11.123575886918236],["c3ccccc3)cccn2c1",-11.123626505413917],["Cn1nc(C(F)(F)F)",-11.12366906496429],["CCNCc1ccccc1",-11.123706836876242],["C(=O)C(C)=C",-11.124118795864618],["c(C(=O)NCC(=O)O)",-11.124126579945504],["NC(=O)c1cc(",-11.12416477007625],["nc2c1ncn2[C@H]1",-11.124250931957114],["CN(CCc1ccccc1)",-11.12431032580787],["s1)c1ccccc1",-11.124356170472542],["C1=CC[C@H]2",-11.124365954273634],["▁CNC[C@@H](O)",-11.124405204468951],["c2ccc(Br)cc2F)",-11.124415896495808],["CC(C)N1",-11.124470812237083],["/C(=C1\\",-11.124490268223518],["cc2F)cc1",-11.124530805825373],["c1cc2c(cc1F)",-11.12454504884782],["c2ccc(F)cc2)no1",-11.124636092954836],["CN1c1ccccc1",-11.124685897900807],["/C(=N/NC(N)=S)",-11.12479567953032],["c1cc(C)no1",-11.124821021924348],["▁CSc1ccc2c(c1)",-11.124941123065268],["c1cc2c(Nc3ccc",-11.125049116417816],["c1cn([C@H]2C",-11.125071344589092],["C4=N",-11.12521650956618],["nn2-c2ccccc2)",-11.12536455641711],["▁COC1CCC2(CC1)",-11.12536669983757],["c2cc(N3CC",-11.12546727804626],["c3ncc(C)",-11.125631657932018],["c2cccnc2c1O",-11.125963364769287],["=Nc1c(O)[nH]c2cc",-11.126013282109511],["NC(=O)C12C",-11.126040580303036],["▁CN(C)C(=S)",-11.12607130378084],["▁Cc1cc(O)nc(N",-11.126189754872644],["Cc1c(O)cc",-11.126257581103832],["▁CC1(C)C(=O)N",-11.126314347050716],["C(O)CN1CCN(C(=O)",-11.126356624645586],["c1cc(C#N)ccc1",-11.126373404446998],["CCCCNCCCN",-11.12643462633554],["C(=O)/C=C/C=C/",-11.12644065043127],["▁O=c1cc(CO",-11.126907008779352],["▁COC(=O)c1c(C)",-11.12706127062178],["▁Oc1c(C",-11.127236964961284],["NCC(O)c1ccc(O)c(",-11.127238363016293],["[N+]3",-11.127427467339997],["c(-c3nn[nH]n3)c",-11.127468813886509],["C1=CC(=O)OC1",-11.127513846579532],["c4ccccc4)c3",-11.127585495572196],["N2CCOCC2)cc1OC",-11.127609093336355],["c(OCc3ccccc3)c",-11.127657573397707],["c2cnc(C)cn2)",-11.127774391124111],["▁O=C1[C@@H]2C",-11.127781129674217],["▁CC(C)Cc1n",-11.127828210076522],["Cn2c(=O)s",-11.127943674416702],["▁Clc1ccc(CO",-11.12799311532518],["C2C3CC4",-11.128001804296307],["c(OC)c2c1",-11.128035299299931],["▁C/C1=C/",-11.12805070728677],["-c2nc3ccccc3[nH]",-11.128117923368391],["c(-c3cc(OC)c",-11.12811857009697],["c2cnc[nH]2)",-11.128196718622748],["CC1)CC2",-11.128380582202167],["c1-c1cccs1",-11.128460658833855],["▁CCCCOc1cccc(",-11.12861727785468],["▁CC1CC(=O)N(C",-11.128644864615971],["c1ccccc1)C(=O)NC",-11.12866184523375],["C1C(C#N)=C(N)O",-11.128906918507576],["]2(CC[C@@H]3CN(",-11.128915862416829],["▁CN(Cc1ccccc1)C",-11.1291441871961],["▁CC1CCCN(C",-11.12919862113639],["C(=O)N(CCO)",-11.12927932471133],["▁Cc1cn(-c2cc",-11.129652691428738],["[C@@H]2CCCC",-11.129659568596288],["c3cn[nH]c3)",-11.129717400994068],["c1ccc2oc(-c3ccc",-11.129721247357075],["on2)CC1",-11.12977663434654],["C)C3)",-11.129967995339998],["▁CC(=O)Nc1cc(-",-11.130168392501428],["c2c(F)cc(F)cc2",-11.130287148162214],["(CN3CCCC3)",-11.130372109500094],["▁CCCCCC#C",-11.130396975764462],["▁Nc1nc(N)c2c(",-11.130546350664329],["c(NC3CC3)n",-11.13062253042915],["cc3[nH]ncc23)",-11.130641022536562],["(C(N)=S)",-11.13065517855849],["▁CCN1CCC(",-11.130793252319789],["▁Cc1cc(OC(=O)",-11.130809822750852],["C(=O)N1N=C(",-11.130815574534774],["C2(c3ccc(Cl)cc3)",-11.130859467092602],["c4cccc(C)c4)",-11.130897088557436],["c2cc(C(C)C)",-11.131009611625805],["▁CCCCCCCCOC(=O)",-11.131018316026095],["ccc3c2)cc1",-11.13114457782152],["/N=C(/C",-11.131193034459576],["c2nnn",-11.131419811584951],["▁Nc1ccn([C@@H]2",-11.13144881370734],["3)CCC2",-11.131506365183997],["[C@]2",-11.131552612809696],["OC)CC1",-11.131714968393323],["NCCCl)",-11.13182796785135],[")c(F)c1",-11.131868227788898],["C2(O)c3ccccc3",-11.13189275971849],["CCCCCC(=O)",-11.13191467796954],["oc3=O)",-11.132066469057056],["▁Cn1c(N)c(",-11.132131024236148],["Cn1/c(=N/C(=O)",-11.13215462205128],["(Cc3ccc(O)cc31)",-11.132320662056156],["nn2C",-11.1323363151971],["n([C@H]3C[C@H](",-11.13234345704505],["N1CCC(C(=O)N",-11.132394081547533],["n1ncc2c(N",-11.132405406125397],["N3CCCCC3)c",-11.1324767927199],["▁C=C(C(=O)",-11.13253559626213],["▁CC(C)Oc1c",-11.132573786407717],["c2cc3o",-11.132651238596637],["C(CN1CCCC1)",-11.132745498040196],["C(CCN(C)C)",-11.133033417332944],["▁NC(=S)N/N=C1\\CC",-11.13303472152322],["C(N)=O)CC1",-11.13309554267851],["c1cnc(O)nc1O",-11.133250951478283],["c1cnc(Cl)c(Cl)c1",-11.133261827026958],["C(CO)O2)",-11.133276651851425],["2ccc(=O)oc2cc1O",-11.133352124075165],["sc1C(=O)",-11.133409521283255],["c3ccc4ccccc4c3)c",-11.13341580299358],["CCCN2CCCC[C@H]12",-11.133664152924515],["c1cn(C2",-11.133732669479496],["▁O=c1oc(-",-11.133800489824104],["c1cc(=O)n(C)",-11.133981858678531],["c3cc(OC)c(O)cc3",-11.1340355167336],["nn2c1N",-11.134241428485884],["▁Br.CO",-11.134298165610696],["n2ncnc2N1",-11.134483319106694],["▁FC(F)O",-11.134518728339485],[")[C@@]1(C)CC",-11.134541638716405],["▁O=S1(=O)C=C",-11.134584863365262],["▁Cn1c(N)c(C(=O)",-11.134613367981572],["1CCCCCC1)",-11.134760670334746],["▁C=CCN(C)",-11.134797239552215],["[C@@H]3COC[C@]3(",-11.134882021752873],["nc(N2CCN(",-11.134960535940326],["[C@H](O)C2",-11.135029448275706],["-c1ccco1",-11.13504571347713],["-c2cn[nH]c2)cc1",-11.13505726957056],["▁N#Cc1c(Cl)",-11.135081149988482],["c(/N=C/N(C)C)",-11.135333613125791],["c2c(c1)NC(=O)CO2",-11.13537145343265],["C(=O)/C=C/c1ccc(",-11.13540211933742],["c2noc3ccccc23)",-11.135535792285465],["C(c2cccc(O)c2)",-11.13556251965455],["▁Oc1ccc(CN",-11.135577455905292],["▁Nc1nonc1-c1n",-11.135588279552271],["▁O=c1nc(N",-11.135943911084272],["c2nn[nH]n2)c1",-11.136197393022218],["c2ccc3[nH]ccc3c2",-11.136210028907731],["▁Cc1ccc(C2=C",-11.136325071319924],["▁O=C(CCN1CC",-11.13635737887585],["C[C@@]2(C",-11.136368679641516],["O[C@@]2(C",-11.136506091092055],["c1ccccc1)C(=O)OC",-11.136686167335206],["Oc1cc2c(c(OC)c1)",-11.13670960155574],["n[nH]c1-2",-11.136751360599554],["▁CCOC(=O)C1=C(CO",-11.136755453103724],["c(N)c3",-11.136794859943857],["3ccccc3oc2=O)cc1",-11.136854094577288],["c1nnc(-c2ccccc2)",-11.136920415426022],["c1coc2c",-11.13693650381619],["NC(=S)N1C",-11.13713685679472],["c(=O)c2cc1Cl",-11.137159595079392],["C3=O)cc2)cc1",-11.13721553553748],["c(N2CC(F)(F)C2)c",-11.137306235770144],["Oc1ccc(C",-11.137418343862468],["▁c1nc(N",-11.137460648294272],["CC[C@@H]1N1CCCC1",-11.137498345475596],["nc1-c1ccc(",-11.137502679639542],["▁Cc1ccc(C2=NN(",-11.13756458738995],["N3CCN(c4ccc",-11.137862340243498],["c(=O)n2n1",-11.13801230456039],["ccc3[nH]2)c1",-11.13804079953076],["▁CC(C)n1nc",-11.13804504752012],["[nH]c(=O)c2c1nc(",-11.138155828562248],["▁CCC1CC",-11.13821613398735],["c2cc(Cl)ccc2NC1=",-11.138359016684682],["▁Cc1ccc2s",-11.138387921925077],["oc",-11.138411730237046],["CCC(=O)NCC",-11.13845398954522],["c(O)c2C(=O)O1",-11.138509568724528],["C1OC(CO)C(O)C1O",-11.138668701560146],["(CN2CCCC2)",-11.138760824434716],[")NC(=O)",-11.138832697980078],["n2C)C1=O",-11.138832747584791],["c4cnc",-11.138848730256209],["C2CCN(c3cc",-11.138900865634064],["/C=C/c1cccs1",-11.138946334694868],["▁CCN(CC(=O)Nc1c",-11.139044706306803],["C(C)C(=O)O",-11.139105327388766],["[C@@]2(CO)",-11.139113808416052],["▁Cc1cn([C@@H]2C",-11.139194103160218],["CC23C",-11.139251028602963],["▁CCCCCCc1c",-11.13927091791625],["nc2[nH]",-11.13929036961028],["▁CC(C)(C)Nc1",-11.13943024998323],["▁O=C1CC(S",-11.139450199829778],["n(Cc3ccc",-11.139462087651829],["(N)cc",-11.13953335832986],["CC2)ccc1O",-11.13974367130611],["▁[O-][n+]1",-11.140058523744788],["▁CCCCCCN1C",-11.140183238475633],["▁CCOC(=O)c1nn",-11.140213216687185],["c3c2cnn3",-11.140244182897623],["c(C(=O)NCCN(C)C)",-11.14026645378892],["cc2c(C#C",-11.140277817754969],["N1C[C@@H]2CN(",-11.140311438358882],["N2CCCc3ccccc32)",-11.14052951547282],["C3CCC(",-11.140538448848844],["c1cccs1)N1CCN(",-11.140626032349395],["=C(/O)",-11.140696194096208],["▁O=C(CO)N",-11.140778329057772],["OC(N)=C(C#N)C2",-11.140806631310554],["▁O=C(CCCN1C(=O)",-11.140922251832745],["C[C@]2(O)",-11.140953172767455],["C2C3C=CC(C3)C2",-11.141183804614023],["c(NCC3CCCO3)",-11.141252136463317],["Cn1c(=N)n(CC(O)",-11.141280116205865],["c(/C=C\\c2cc(OC)c",-11.1413500526865],["▁O=C(CCC(=O)N",-11.14142392394228],["C1=CCCC1",-11.14145358842201],["▁CCOC(=O)c1sc2nc",-11.141492197054768],["▁O=C1c2ccc",-11.141511183740096],["c3oc(=O)c",-11.141689466668266],["c(OCC)c",-11.14172854239734],["c3ccccc23)C1=O",-11.14184283761258],["c1ccc(-c2nnc(",-11.141847940784782],["sc2nc",-11.141920570260275],["(OCC(F)(F)F)",-11.141925792263638],["c2)c1COc1ccc(",-11.14192804089695],["c1cccnc1Oc1ccc(",-11.142059298199731],["c1cc(Cl)c(O",-11.142059917578225],["N=[N+]=[N-]",-11.142142902936673],["2CCN(c3cnccn3)C",-11.142147195203895],["▁C#CCN(",-11.142379290906064],["CCCN2CCCC2=O)",-11.142383763533385],["c1nc2ncccc2o1",-11.142554177120278],["n3nc(C)cc3C)",-11.14255894189838],["▁CCn1c(=O)n(",-11.14256126094731],["▁CCC(C)(C)NC(=O)",-11.142680455445646],["C(=C(C#N)C#N)",-11.142814275917788],["2)[C@@H]1O",-11.142823241324807],["cs2)CC1",-11.1428683341179],["c3ccc(-c4ccncc4)",-11.14297067540199],["▁C/C(=N/NC(=S)N",-11.143020011345085],["Nc1nc2ccccc2",-11.14318410140299],["CC2)cc1Cl",-11.143195477987364],["OCCO2",-11.14328222747729],["c2ccc(O)cc2o1",-11.143310442638722],["[C@@H]2CCCN2)",-11.143316791165311],["CC[C@@]2(",-11.143320294099697],["c2ccccc2)cc1)NO",-11.143372903653798],["N2CCN(S(=O)(=O)",-11.1435092179503],["▁CCCCc1ccc(N",-11.14355157968686],["/C=C1/C(=O)O",-11.143563716170208],["c2ccnc(Nc3cc",-11.143617946531062],["c(N2C(=O)CC(S",-11.143688692813052],["S(N)(=O)=O)s1",-11.14383981589712],["n3n2)",-11.143920264771523],["▁C[n+]1ccccc1",-11.143924471927702],["c(OCC(=O)O)c",-11.144081265757578],["c3ccccc3)o2)",-11.14409563576515],["c2cc(Cl)ccc2OC)",-11.14411617818541],["C(=O)c1csnn1",-11.144150469303655],["C(C)C)C(=O)",-11.144280973267872],["N=C1S",-11.14436141554014],[")OCP(=O)(O)O",-11.144381821421582],["c2cnccn2)c1",-11.144478662609185],["Cc2nccn2C1",-11.14471735654831],["c1cccc3ccccc13)",-11.144746614471906],["c3nc4c(",-11.144761393883652],["cc1)C2=O",-11.144776250291972],["Nc1nnc(C",-11.144822354722894],["c1nc(N2CCCC2)",-11.14482949935643],["▁COCCn1cc(",-11.144844946040116],["C(c1cccc(Cl)c1)",-11.144926811806355],["▁CN1CCCN(C(=O)",-11.144973037332369],["c2)ccn1",-11.145061093437546],["c3ccc(C)cc3)CC2)",-11.145496692219798],["N)n1",-11.14552468185461],["▁CSCCC(N",-11.145537471229272],["C3(CCNCC3)",-11.145584686415448],["▁COc1cc(Cl)c",-11.145631470899636],["c1nc2c(O)n",-11.14604003783402],["▁COCCN(C)",-11.146062549783084],["C)=CC(C)(C)N3",-11.146119104203738],["C1(CC)",-11.146192029952385],["▁C/C=C1\\",-11.146305176824622],["▁CN(C)C(=O)N",-11.146435696745993],["▁COc1ccc2cc(C(C)",-11.146561542864736],["nc2c(c1=O)SC",-11.146584292986416],["CC(O)c1ccc(",-11.146632213993778],["Cc1ccccc1)C2",-11.146687411417538],["CN(C(=O)CO",-11.146763073103925],["c3ccccc32)c(C)c1",-11.146905019920668],["n23)c1",-11.147026588071004],["▁Fc1cc(F)cc(",-11.147031185681616],["▁Cc1ccc(Cn2",-11.147241583404972],["/C=[N+](\\[O-])",-11.147313824998214],[")Nc1ccc(Br)cc1",-11.147549321534282],["c4nccs4)",-11.147672805232771],["C(CC(=O)NO)",-11.147822954106427],["n[nH]3)",-11.147825221307953],["Cn2c(=O)[nH]",-11.147856304865318],["(N(CCCl)CCCl)",-11.147926057426524],["[A",-11.147933114867602],["c2c(C)nc(N)nc2N)",-11.147941527501722],["C3(O)CC",-11.14817805236433],["c2cc(OCC(=O)O)c",-11.148178726900602],["▁CC1CO",-11.148207609675186],["cc(O)c1=O",-11.148276297205074],["▁Cc1nc(N(C)",-11.148288600720852],["NC(=O)c1cc2c",-11.148364803230375],["CC(c2ccco2)",-11.148367257683272],["▁CC(C)CN1C",-11.148379490220812],["C2=NC(",-11.14848605789783],["▁O=C1c2ccccc2NC(",-11.148495357362073],["c1ccc(Nc2cc",-11.14851776258945],["C[C@@H](F)",-11.148557644444995],["CN4CCCCC4)",-11.148594750592624],["▁CN1C(=O)C2(",-11.148741724167992],["-c2ccccc2)c(F)c1",-11.14876060316113],["nc3c2c(=O)",-11.148819759835892],["c3c(O)c",-11.148881754352995],["2=NN(c3ccccc3)C(",-11.148885313025325],["[C@@H]4O",-11.148955670901644],["/N=C/c2cccs2)",-11.148959346141726],["-c1ccc2c(c1)",-11.148962061786303],["[C@@H]2[C@@H]1",-11.14907184910257],["OCCCO2",-11.149170188740968],["NC(=O)CN2C(=O)",-11.149197582092349],["c3ccccc3)cc2)C1",-11.149238564568645],["▁COc1ccc2cccc(CC",-11.14928687365883],["▁Cn1c(=O)c2nc(",-11.149319463335267],["C(=O)N2CCOCC2)c1",-11.14956502255222],["c2c(F)cc(F)cc2F)",-11.149633444673206],["c1-n1cccc1",-11.149666799309818],["▁Cc1ccc(C(=O)OC",-11.149883420956847],["OC(C)(C)C(C)(C)O",-11.149886869814338],["/C=N/NC(=N)N",-11.150037249772163],["▁O=C(O)C1CCCN(CC",-11.1500399902462],[")CN1CCc2ccccc2C1",-11.150092134258305],["N(C)C)C1",-11.150150676311462],["c2cc3c(cc2n1",-11.150175441405924],["▁NC1=NC",-11.150232627675276],["c3ccccc3OC)CC2)",-11.150444824623884],["NC2C",-11.15053517328842],["▁CC1CCN(CCC",-11.150560646719615],["▁COC(=O)CN1C(=O)",-11.150657794990044],["Cl)C(=O)O",-11.150823175401367],[")C(=O)NCC(=O)O",-11.150893520055742],["C(Nc1ccccc1)",-11.15100872827433],["C2=O)C(=O)N1",-11.151187709007209],["▁Cc1ccc[n+](C",-11.15125323825876],["c3)ccc2c1",-11.15125347176081],["OC21",-11.151448627202472],["NCc2ccccc2)c1",-11.151521372783922],["(N4CCCC4)",-11.151867675354122],["C(F)(F)C(F)F)",-11.152303956869345],["[C@@H]1CCO",-11.152405046259698],["▁COc1ccc(Nc2",-11.15249686903285],["/C(=C/c2cccs2)",-11.152573539750538],["CC2CN",-11.152593418936547],["(OC)c(O)c(OC)c1",-11.152745161996204],["C2=NN(C(C)=O)C(",-11.15275500285847],["N2CCCC(O)C2)",-11.15291366210203],[")C(=O)N1CCCC1",-11.152928790402807],["s2)c(C)c1",-11.152961205663544],["▁COc1ccc(Nc2cc",-11.153026399540249],["c1nn2c",-11.153107248327682],["CC)CC1",-11.153127416984962],["-c1ccc2c(c1)OCO2",-11.153133692583124],["/C=C/CN(C)C",-11.153325707804472],["▁c1ccc(-n2c",-11.15345522738282],["CCOc2ccc(",-11.15345542929706],["N2CCCN(C)CC2)",-11.15352202143634],["ON=",-11.153575496782912],["c(C(=O)NN)",-11.153655778349512],["c3ccccc3O2)cc1",-11.153696158077182],["▁Cc1ccn",-11.15372209997811],["c(-n2ccnc2)cc1",-11.153753314609112],["2c3ccccc3C(=O)N2",-11.153862458216732],["CCn1cncn1)",-11.153863450619523],["▁OCCCC",-11.153984398869408],["c1cnc[nH]1",-11.1541227096894],["N1CCC[C@H](",-11.154203607351484],["c5n",-11.154327240831634],["CN(C)C)cc1",-11.154403657929546],["[C@@]34C",-11.154617036795813],["c2ccc3ncsc3c2)",-11.154809743196257],["N(C(=O)c2ccccc2)",-11.154999312194366],["C(=O)NCc1ccncc1",-11.155156470430509],["/C3",-11.155190888746636],["c1ncccc1/C(=N/O)",-11.155358339094755],["▁c1nc(",-11.15536438766184],["c1cc(C(=O)N2CC",-11.155420944660854],["c(SCC(N)=O)",-11.155431541001027],["c(-c4nnn[nH]4)c",-11.15547379200286],["ccc2cccnc12",-11.155561657115149],["/C(=N\\NC(=O)",-11.155599505984092],["c(O)c(C=O)",-11.155636670816705],["1)OC(N)=C(C#N)C2",-11.155808294279716],["c(C(C)(C)O)",-11.155874704432552],["c(/C=C/c3cc",-11.155964205691578],["▁COc1cncc(-",-11.156145248862089],["3)nc1",-11.15615356445186],["CCC2)cc1",-11.156192827123649],["▁c1ccc(CN2CCN(",-11.15622009973716],["▁COc1c(C2CCCN2",-11.15623895640038],["c2ccccc2Br)cc1",-11.156253649248873],["C[C@H]12)",-11.156305293322202],["▁COc1cc(OC)c",-11.15647392756648],["N/N=C1\\C(=O)N",-11.15651739945342],["▁CN(C)c1ccc(CN",-11.15668989876988],["C2)cc1C",-11.156695330015925],["-c1ccccc1C2=O",-11.15672328602561],[".O.O.O",-11.156810952235965],["c1ccc(Sc2ccc",-11.15708469830016],["c1ccc(Cl)c(-",-11.15722273808722],["▁CCCCN1",-11.1572373515106],["▁CN1CCCCC1",-11.15731034850739],["c(Cl)cn1",-11.157325474956194],["N1N=C(c2ccccc2)C",-11.157340433526478],["c(C3CCN(C",-11.157345768575222],["c(N4CCN(C)CC4)",-11.157371928512124],["(-c3ccc(OC)cc3)",-11.157376048783242],["▁CCOc1ccc(N2CC(",-11.157454412791653],["CC3)C2=O)cc1",-11.157490218987135],["NCc1ccc(-",-11.15763650845974],["▁CN1C(=S)",-11.157702836588513],["▁COc1ccc(Cn2",-11.158061274617872],["nc(C)n2)c1",-11.158083604887128],["Cc1csc(NC(=O)",-11.158162471257096],["cc4c(=O)c1c23",-11.158359536436748],["ccc4c3",-11.158385734260502],["c3c(-c4ccccc4)n",-11.158416067787918],["▁Cl.O=C(CC",-11.158423509530484],["[C@@H]1O[C@@H]1",-11.158433535118537],["c(NN)n",-11.158535841240203],["N(Cc1cccs1)C(=O)",-11.158901379247492],["[C@H](C(C)(C)O)",-11.158921043256036],["(=O)c2cc(F)c",-11.158976388212796],["▁CC(C)(C)c1ccc(N",-11.15904292735948],["c2ccc(OC(C)=O)c",-11.15905371987087],["C(=O)Nc2nc3cc",-11.159087941349874],["c3cccc4cnccc34)",-11.15911734636654],["C(c2ccccc2)=C1",-11.159148451416565],["(CC)CC",-11.159340959219652],["O)nc1",-11.159389668647544],["[nH]c3ccccc23)o1",-11.159453247404182],["▁N#Cc1c(-c2ccc",-11.159463454382148],["c2cccc(C)c21",-11.159539034644842],["c3cccnc32)CC1",-11.159605793479962],["/C=C(/C(=O)O)",-11.15962040086798],["c1nc(N)nc(N",-11.15974892254816],["c(-c2cc(C(=O)N",-11.159859239354116],["nc1n2C",-11.15990885543767],["CC[C@H]3[C@@H]4C",-11.159990298956656],["c1ccc(/C=C2\\O",-11.160002574999533],["O[C@H](CO",-11.16002785100215],["c2cc(F)ccc2F)CC1",-11.160230627715348],["CN2C(=O)CO",-11.160243028373486],["c2ccccc2)S1",-11.160345002871672],["▁FCC",-11.160512279748389],["[C@H]1C[C@@H]1CN",-11.16057232844871],["c(C)c(-c2csc(N",-11.160778739602817],["▁Cc1ccc(-c2nn",-11.161011467427029],["(CN3CCOCC3)",-11.161102273665676],["Cc2ccccc2)nn1",-11.16133969877203],["▁CCCCNC(=O)O",-11.161350001748897],["c1ccc(C(=O)N2CCC",-11.161366932605706],["c2c3c(sc2n1)",-11.16152866595081],["(N1CCOCC1)",-11.16164005115732],["C2)cc(OC)c1OC",-11.16169498867741],["c(Cl)c12",-11.161794726668075],["▁N#CCCC",-11.161846396552594],["c(S(=O)(=O)NCC",-11.161858843242602],["n3nc(-c4ccccc4)",-11.161912746793224],["c2ccccc2)nc2c1c",-11.161961546387197],["[C@]12O[C@H]1",-11.16201726973157],["▁Cc1nc(Cl)",-11.162112156697075],["COC(N)=N1",-11.162142814797177],["▁COc1ccc(Cc2nnc(",-11.162162457968575],["CNC(C)=O)",-11.16216357344782],["=C(C(=O)O)C[C@H]",-11.16218160705537],["(O)c(C=O)",-11.162248760707406],["c2cc(NC",-11.16231139751308],["▁CN1CCc2c",-11.16242279686162],["NC2=CC(=O)",-11.162482056141748],["ncnc2c1",-11.162681053582263],["n(C2CC2)",-11.162760970025452],["c2nc(-c3ccc(F)c",-11.162785529261242],["-c2cn3c(n2)sc2cc",-11.16285531857217],["3CCC1N3C/C2=C\\",-11.162859349938609],["c1oc2cnccc2c1N",-11.162881566204398],["c2c1sc1",-11.162967921487],["c2nc(Nc3cc",-11.16309563646102],["c2C#N)CC1",-11.163101649769144],["OC(=O)N1c1ccnc(N",-11.163107299605638],["▁CNC(=O)C1C",-11.16319031444436],["c1cccc(OC(F)F)c1",-11.16322663727718],["/C(=C\\c2ccc",-11.163232450620194],[")cc2c(C)c2c1",-11.163299398785584],["c2ccccc2Cl)o1",-11.163426240406192],["Cn1cnc2ccccc21",-11.16346440825461],["c(Sc3ccccc3)",-11.163487979191078],["ccc3ccc(=O)oc23)",-11.163511176747566],["c2nnc3n2CC",-11.163641924599478],["[C@H](Cn1ccnc1)",-11.16368816838198],["c2oc(-c3cc",-11.163719257736396],["2CCC[C@H]2C#N)",-11.163731059218],["▁O=C(O)/C(=C/",-11.163749199864265],["c2)cc1F",-11.163867712659048],["Cc2c(C(=O)O)",-11.163870760924308],["[C@H]2[C@H](C",-11.163997492739677],["(N3CCCCC3)",-11.16405668714826],["CCCC(=O)NO)",-11.164112090657316],["▁Cc1cc2",-11.164354011475227],["c2cncc(-c3cc",-11.164599543458015],["CC[C@H]1N",-11.164613410642298],["c3ccon3)",-11.16464709128538],["▁Nc1nccc(-c2c",-11.16470492655944],["nc2-c2ccc(F)cc2)",-11.164810742275286],["C(c2ccccc2)=N1",-11.164837441169045],["c1nc(-c2cccnc2)",-11.165098401571663],["▁Cl.O=C1C",-11.165272364578698],["ncc1CC2",-11.165437591227724],["▁CC(C)CCN",-11.165533864172604],["c(N4CCOCC4)n",-11.165683552257487],["nc3s2)cc1",-11.165706618136245],["NC(=O)COc1ccccc1",-11.165782341126494],["c2[nH]cc(C",-11.165968808386394],["▁CCc1ccc(C(=O)",-11.166044046819565],["c2nccc[n+]2",-11.166141163197445],["3CC4CC",-11.166468602056693],["c(C3=NCCN3)",-11.16650991432106],["n1c(S)n",-11.166604802317444],["C1CCN(Cc2cc",-11.166671277745763],["nc(Nc3ccc",-11.166753380186208],["N(CCOC)",-11.16681914860517],["c3cc(C)c",-11.1668219268247],["COc2ccccc2)c1",-11.166861480355536],["CCCCN1C(=O)",-11.166958511886076],["c(C)c(C(=O)",-11.166969278958184],["Cl)ccc2oc1=O",-11.167005061039754],["C3=C(C(=O)",-11.167030254396416],["C#Cc3ccccc3)cn2)",-11.167185535135228],["▁NS(=O)(=O)c1cc(",-11.167451968349331],["▁Cn1c(C#N)ccc1",-11.16765010448574],["c1ccc(OCC(O)C",-11.167669114719445],["C(=O)CN1",-11.1677041392985],["C2C3",-11.16793743123036],["c1nsc(",-11.16803029435432],["▁CN1CCN(CCC",-11.168422269276569],["c2ccc3ccccc3c21",-11.16843359066996],["c1ccc(OC)c(O)c1",-11.168557579404702],["c2cccc(CN",-11.168676322552344],["▁N#Cc1c(N",-11.168760719585144],["c(=S)[nH]c2c1",-11.168846379663515],["C(S)",-11.168902876223406],["▁Cc1nc(N)sc1",-11.16896008698136],["c3nncs3)",-11.16896856373006],["CCN)cc1",-11.168969884939902],["▁O=C(NS(=O)(=O)",-11.168994215019062],["▁CCCCN=C(S)N",-11.169091726755743],["▁CCOC(=O)c1cn(C",-11.169145743481009],["▁CN1Cc2ccccc2",-11.16923638544673],["CCCCN2CCN(",-11.169250011027088],["n1cc(-c2ccccc2)n",-11.169319066711516],["c1ccc(O)c2[nH]c(",-11.169342415344277],["C3)c12",-11.169384046437008],["N2CCN(CC",-11.169396682670484],[")c(O)n1",-11.16946897044659],["COCc1ccccc1",-11.169469979768085],["c1nc(Cl)c",-11.16948997343044],["1CCc2c(",-11.16952140450152],["▁Cc1cncn1CCC",-11.169612940681716],["O)C2",-11.169850213765775],["C1(c1ccccc1)",-11.169937104797626],["c3N)",-11.169965848752051],["c1ccc(COc2ccc",-11.170085542265385],["▁C[C@H](O",-11.1701963368976],["c1cc(Cl)ccc1-2",-11.170229307180415],["Nc1ncnc2ccccc12",-11.170311922746269],["N1CC2(CCN(",-11.170508599625562],["▁N=C(",-11.170531881253355],["c-2c13",-11.170621431007635],["c1ccc2nc(C",-11.170669649589035],["c2ccccc2-c2n",-11.17075012405268],["cc1c32",-11.170791217262323],["▁COC(=O)C1(",-11.170875813952776],["▁N=C1S",-11.171110036424992],["▁CCOC(=O)CN1",-11.17113818665789],["(N)c1=O",-11.171197786689696],["2C[C@H]3C[C@@H](",-11.171208221224983],["N(c2cc3c(cc2F)c",-11.171221608902025],["C(=O)C2CC(=O)N(",-11.17151798884086],["c1cnn2cccnc12",-11.171527966420456],["cc1I",-11.171566925749016],["C4(C)C",-11.17165750922568],["Cn3nc",-11.171722837814738],["▁CN=C(S)N",-11.171803825610713],["[C@H]1CCN(",-11.17182366468533],["[N+](=O)[O-])o3)",-11.171823667086644],["nc(NCc2ccccc2)n1",-11.171957244857811],["c5cn",-11.171970202029074],["c(Nc4ccccc4)",-11.172077529713548],["COC(=O)c1ccc(",-11.172088103070926],["N(c3ccccc3)C2=O)",-11.172152636426771],["c2cc3c(cc2C)",-11.172158636281113],["CN)C",-11.172184591266772],["C(=S)N2CCN(",-11.17224955505018],["CCC2=CCCCC2)cc1",-11.17229030825578],["[C@H]2OCCC[C@H]2",-11.172357220745283],["Nc1nc2c(s1)CCCC2",-11.172397613816225],[")cn2[C@@H]1O",-11.172617483016586],["▁CCOC(=O)c1cnc(-",-11.172618585675892],["C(=O)CCS",-11.172626865203132],["(C5CC5)",-11.172635471733798],["▁Cc1ccc2nc(-c3cc",-11.172664152951484],["(-c2ccccc2)oc2c",-11.172705987305031],["CCS1(=O)=O",-11.172732043040256],["▁Cc1nc(SCC(=O)N",-11.172807592160204],["n1ncc(",-11.172827233611544],["C(=O)C(CC)",-11.172878138678922],["c2cc3c4c(c2)C",-11.173006823102687],["c2nnc[nH]2)",-11.173028677676442],["▁COC1CCN(",-11.173045172239462],["C1=C(C)NC(=S)NC1",-11.173097695235032],["CCN(S(C)(=O)=O)",-11.173106029836129],["C(=O)NCCc2ccc",-11.17319871032165],["c1snnc1",-11.173219885803402],["c2cc3ccccc3cc2O)",-11.173233568520237],["CC(=O)N3C",-11.173250297864591],["nc2cc1OC",-11.173315444284434],["▁O=C(O)C(F)(F)F.",-11.17337596946652],[")c1ccc2ccccc2n1",-11.173377934731906],["NC(=O)CSc2nc",-11.173420621098272],["-c2ccc3c(c21)C(",-11.1736504940794],["c1ccc(C(O)",-11.173704618196416],["C1NCC",-11.173719111601024],["c(=O)n2C)cc1",-11.173738391964845],["COc3ccc(F)cc3)",-11.173757462452311],["c2cc(N3CCNCC3)",-11.173866122301686],["-n2cccn2)cc1",-11.173934625416583],["▁O=S(=O)(Nc1ccc(",-11.173975340361288],["N1CCC(C(=O)NC",-11.17399890807788],["1CCC1(C)C(=O)N",-11.174018670484733],["C(=O)NCCCN",-11.174043114294063],[")N1CCSC1",-11.1740602167332],["(CC)CC)",-11.174062715727729],["F)n",-11.174135516814555],["(OCCN(C)C)",-11.174202058448907],["nnc2n1",-11.174614578589754],["C2CCOCC2)C1",-11.174614723184735],["3)O1",-11.17462422239367],["N(Cc1ccccc1)C2",-11.17473303131553],["2)OCO4",-11.174848035217655],["▁CCC(=O)Nc1cccc(",-11.174906714642418],["(C)c(C)c",-11.17491642248967],["CCC5)",-11.174919491628216],["CN3CCC[C@@H]3",-11.174933190830997],["Nc1c(",-11.175111057132654],["▁Cc1cc(C)c2cc(",-11.175119654194129],["=CC(",-11.175163437701906],["C(O)C(",-11.175186717620978],["(C(=O)NC2CCCCC2)",-11.175264190755335],["▁OCCN(CCO)",-11.175343045930298],["▁CCCC(=O)Nc1n",-11.175389096393475],["c2ccc(N3C(=O)",-11.175392812554492],["/C(=N\\O)c2cccnc2",-11.17540835826264],[")c(=O)c2cc(F)c(",-11.175454080969631],["▁Fc1ccccc1-c1n",-11.175491518687],["▁C=C1C(=O)OC2",-11.175533841581297],["c2cc3cc(C)ccc3",-11.175558877479922],["C3CCCCC3)CC2)",-11.175601187966684],["(CCNC(C)=O)",-11.175766692753037],["-3)cc1",-11.175932136622174],[")[C@@H]2O",-11.175938904680796],["CCN(CCC)[C@H]1CC",-11.17594768013984],["-c2nc3cc(Cl)ccc3",-11.175977436128203],["c(N)n3)",-11.17597870741934],["▁CCC(S",-11.176079561573472],["c1ccc2nc(C)",-11.176364690239344],["c1ccc2ccccc2c1O",-11.176472204573804],["C2CCC(=O)N(C",-11.176659573874344],["(NC(=O)c2cccs2)",-11.176704348148444],["cc1-c1nnc(",-11.176736760072512],["c1cccc(OCCC",-11.176751212666469],["c1nc(C)cs1",-11.176862609842935],["C(NCC",-11.17698156796084],["nc2N",-11.177074802184276],[")CC[C@@H]([C@",-11.177205072992273],["SC(C)",-11.1772611655933],["2)c(F)cn2c(=O)c(",-11.17726773169675],["CN1CCC(NC(=O)",-11.177270471085098],["c1ncnc2sc",-11.177284523328073],[")c(N)c1",-11.177303477696451],["3)c2)cc1",-11.177644149012636],["3CCc4ccccc4C3)",-11.17775684658005],["▁Cc1[nH]n(-c2ccc",-11.177811538830548],["(OC(=O)c2ccccc2)",-11.177857483200416],["nnn(-c2nonc2N)c1",-11.177863654298076],["CC(O)C1",-11.17789053246732],["c(-c3c(C)noc3C)",-11.177895447328348],["▁Cn1c(=O)c2c(n",-11.17793403629426],["[11CH3])",-11.178010991486444],[".O=P(O)(O)O",-11.1780201086883],["▁CC1(C)S[C@@H]2",-11.1780327877462],["[C@H]1OCCC[C@H]1",-11.178040971369793],["cn23)",-11.17804414836254],["SCCCS",-11.17819241566821],["nc2c(OC)cccc2c1N",-11.178274847084484],["c(=O)n(C(C)C)",-11.178308246324036],["CCC(=O)N(C)C",-11.17837118297335],["[C-]",-11.178541448361834],["▁COc1cc(O)ccc1",-11.178575319207464],["Nc2nc(N)n",-11.178598081739018],["(C1)C2",-11.178736576722718],["▁O=C(O)CC(C",-11.178767687080606],["c1ccccc1)c1cccs1",-11.17882797624333],["CCN(C)C)c1",-11.178861502879128],["▁CC(C)c1noc(C",-11.178999664129318],["▁CCCC/C=C/",-11.179015913720145],["c3c2CCC3)",-11.179027106900406],["c(O)n2)cc1",-11.179174445630665],["[C@@H]2CCNC2)",-11.179228414758503],["NC(=O)c1cnccn1",-11.179440114280736],["▁COc1c(O)cc",-11.179716487811472],["nc(N3CCCC3)n2)",-11.179783754919114],["▁NCCCCN(C",-11.179834889571143],["▁CC(NS(=O)(=O)",-11.179845709940642],["▁CCn1nccc1",-11.179904096988228],["▁Nc1ncc(C",-11.17990943605987],["[C@@H]2[C@H]3",-11.179917130702382],["[C@H](C=O)",-11.180141199507467],["▁Clc1ccc2c(N",-11.180207593410504],["c3c(c2)",-11.180414046358848],["CC1CO1",-11.180531227160063],["nc2cc1Cl",-11.180547833769024],["/C=c1\\",-11.180565850982678],["C(N)=O)n1",-11.1811646978944],["CCCC3=O)",-11.181191481188488],["S(C)(=O)=O)n1",-11.181239263763718],["n(Cc2ccc(F)cc2)",-11.181243452651508],["n1Cc1ccco1",-11.181374999512482],["1c2ccccc2CC1",-11.181409168162531],["▁CN(C)C(=O)N1C",-11.181428315638168],["▁CC(C)Oc1ccccc1",-11.181463652712727],["C(C1)",-11.181486608960396],["cc(N2CCOCC2)oc2c",-11.18155058580176],["C=CC1=O",-11.18168619562437],["▁CC(=O)C1",-11.181784785714385],["ccc2cc(O)ccc2c1",-11.181809764127909],["c2ccc(OC)cc2)n1",-11.1818171181944],["CC3)cc12",-11.181919042878327],["c(B(O)O)c",-11.181941575609518],["c2cnc(N)nc2N)",-11.182112724149334],["CCCCCC(=O)NO)",-11.18211432466772],["▁Cn1c(=O)oc2cc(",-11.182127657343283],["▁Cc1ccc2c(n1)",-11.182159126718098],["▁C=C[C@@]1(C)C",-11.182280198776215],["[C@@H]1C[C@@H]1",-11.182350912112485],["N2CCN(C(=O)c3c",-11.182440906473982],["2c(nc3ccccc13)CC",-11.182454944997048],["[C@]1(OC)",-11.182546719011434],["c1nc(C)c(C)nc1",-11.182695738651857],["c(NCCCO)",-11.182778804563016],["n1c(S)nnc1-c1ccc",-11.18288105134014],["C[n+]1cc",-11.182898489685904],["CCS3)cc1",-11.183009444172162],["N(Cc1ccco1)",-11.183119971764672],["▁O=c1[nH]ccc2",-11.18328937678756],["▁Cc1ccc([C@H]2C",-11.18335568360134],["▁O=C(O)c1csc(-n2",-11.183775115951716],["▁Cc1ccc(C(=O)CC",-11.183857079290046],["CC[C@@H]2C",-11.18388673573551],["▁OC[C@@H](O)",-11.183934793789463],["2CCc3cc(O)ccc3",-11.184099403796102],["cc2)on1",-11.18425163014546],["C2CCCN(C)C2)",-11.184324053602886],["cc(C=O)c1O",-11.18457002665313],["N=C21",-11.184595764659775],["CCSC1",-11.184734190731378],["C2CCCCCC2)cc1",-11.184789495796556],["c1n[nH]c(C2CN(C",-11.184801187140335],["OC2=O)c1",-11.18484358768856],["▁Cc1nnc2n1CCN(",-11.184989157977023],["c2ccc3n",-11.184994031344338],["▁COc1cccc(-c2",-11.185061159938387],["c4ccco4)CC3)",-11.185143307637215],[")nc1C",-11.185163884112216],["▁OCC(O)C",-11.185252844763088],["-c2nnc(N",-11.185315647530045],["c1nnc(NC(=O)C",-11.185374158085182],["c2cc3c4c(c",-11.185566044989589],["c(Br)c2)",-11.185591991103044],["CN(CC)CC",-11.185690723496968],["c2ccc(OCC(=O)O)",-11.1857045198611],["Cl)C1",-11.185769205161725],["▁CC(=N)",-11.18579532817501],["▁Fc1cc(F)",-11.18606241387531],["N(C)C)n1",-11.186093653788202],["c(-c5ccc",-11.186152051944884],["c1ccc(C(=O)N2CC",-11.1862110536149],["▁O=P(O)(O)C(C",-11.18622068054688],["c1ccc(CS(=O)(=O)",-11.186374583848169],["▁COc1cc(NC",-11.186438046039251],["▁NC(=O)c1cn",-11.186507714872512],["▁Cc1ncsc1C(=O)N",-11.186744271518544],["N(CC(F)(F)F)",-11.186758676449609],["C(C)(C)S",-11.186772900659784],["CCc3c[nH]",-11.186827774938086],["▁Clc1ccc(O",-11.1870838393248],["NC(=O)NC2=O)",-11.187238698731392],["c(-c3ccnc(N)n3)",-11.187333701717373],["c1cccc2[nH]ncc12",-11.18739856221531],["c2ccccc12.Cl",-11.187499349787752],["c3ncccc23)",-11.187512222062775],["[C@@]3(C)O",-11.187574138492607],["c(-c2n[nH]c3cc",-11.18771649285192],["c(-c3nccs3)",-11.18793314468418],["CC(C)OC(=O)",-11.188212424554838],["COc2ccc(F)cc2)",-11.18822757536327],["CSC(N)=N1",-11.188308978468504],["[C@@H](O)C2",-11.188388784574206],["▁Nc1nc2ccccc2",-11.188411319989092],["N1CC2(CCN(C(=O)",-11.188460098886424],["c1csc(Nc2ccc",-11.188505614441528],["/C=C2\\CC",-11.1885370902623],["(O)[C@@H]3O)",-11.18874770696337],["N2CCOC(",-11.188750275248609],["Nc1nc(-c2ccc",-11.18881501970314],["c1cccs1)C2",-11.189032300459548],["▁N#CC1C",-11.189082996760852],["▁O=C(NNS(=O)(=O)",-11.189143456210363],["C2=CC(",-11.18914724377918],["N1CCc2nc",-11.189196142675105],["CCCC2)",-11.189248188208811],["▁CCOC(=O)c1cc2c(",-11.18930479047264],["=C/C=C/C(C)=C/",-11.189350343188355],["▁CCN/C(=N\\",-11.189380128824835],["(C2CCCNC2)",-11.189415716804918],["N2CCCN(",-11.189422147769484],["[C@H]1CCO",-11.189430381482593],["c(-c3ccncc3)nc12",-11.189465232960032],["CCN(CC)CC",-11.18946576806884],["C4=CC(=O)C=C[C@",-11.189473320620616],["CC1CCCCN1C",-11.189477659039788],["c2nc(Cc3ccccc3)n",-11.189702501676678],["▁CC(C)c1nnc(N",-11.189717467535196],["▁Cc1sc2nc(C",-11.189797523747467],["C12CC2",-11.189877353645516],["▁Brc1ccc2c(c1)",-11.189929857456876],["cc(OCC(O)C",-11.19011443484742],["▁O=C(CSc1ncc",-11.190257565705654],["▁COc1ccc(-c2cnc3",-11.190260833708187],["c2cc3cccnc3",-11.190281093241754],["COc1cc(C)ccc1C",-11.190334975900653],["c(-c3ccc(F)cc3F)",-11.190344638032002],["c2N)cc(OC)c1OC",-11.190345581810735],["c1ccc2nc(C)cc(N",-11.190399108916695],["▁O=C1OC(=O)",-11.190459841887233],["ccc2ccccc21",-11.190561701483585],["▁COC(=O)COc1ccc(",-11.190619995557594],["▁CN1CCC(O",-11.190765441129331],["(C(=N)N)cc2)cc1",-11.19089832830129],["Nc1nc(-c2ccncc2)",-11.190919661968348],["NCc3ccccc3)",-11.190923331983951],["c2ccccc2[C@@H](",-11.19095060553378],["[N+](=O)[O-])C1",-11.190967974720554],["cc2[nH]",-11.19100780566484],["c(=O)n(C)c3",-11.19105951132568],["nn2c1O",-11.191086295229375],["(C(Cl)(Cl)Cl)",-11.191198616954786],["oc2C1",-11.191234417217292],["Oc2ncccc2",-11.1913283407968],["c1[nH]nc2c1",-11.191364680240394],["Cc1cc(=O)oc2c",-11.191372596985511],["C1CC(c2ccccc2)(",-11.19141143576309],["▁Nc1ccc(/C=C/",-11.191498075216584],["C2)c(C)n1",-11.191550277631498],["c2c(c1)B(O)OC2",-11.191586155926174],["▁CC(=O)c1cccc(OC",-11.191625862274185],["-c2cccs2)cc1",-11.191698695133711],["▁CC1=CC(=O)C",-11.191789677849986],["C[C@H]1CN(",-11.191890787956233],[")c1c(Cl)cccc1Cl",-11.19195975746936],["▁C/C(=N\\Nc1n",-11.19204695231679],["CC2.Cl",-11.19205295976495],["(C(=O)N3CCOCC3)",-11.192190616348665],["c1ccc(-c2nnn(C",-11.192303295376371],["▁Clc1ccc(N2CCN(C",-11.192429029194686],["c2=O)C1",-11.1924309293386],["Cc2ccccc2)N1",-11.192577376827312],["c4nc(C)c",-11.192602436379024],["[C@H]2[C@H]3",-11.19269142670514],["[C@@H]1C(=O)N2",-11.192756408828595],["[C@H]1CCCO",-11.192781761303229],["(C(F)(F)F)cc2)c1",-11.192966698489364],["n1c2ccccc2c(=O)",-11.19299754725836],["▁COc1cccc(C2=N",-11.193009217897805],["c2cccnc2N",-11.19304905824351],["1CCNCC1",-11.193167069017363],["c(C)c(C(=O)N",-11.193205006165352],["2CC[C@H](",-11.193205730715736],["C4(C)C)",-11.19321652574697],["▁Cc1cc(CN2CCN(",-11.193259695156108],["2SC(=O)NC2=O)cc1",-11.19333105295588],["c2n[nH]c3c2C",-11.193463862108745],["ccc1OC(F)F",-11.193526183625146],["c2c(C)c(C)sc2n1",-11.193543512045396],["Oc2ccc(C#N)cc2C(",-11.193671501926644],["▁CCN(C(=O)CO",-11.193765960445424],["CC2C(=O)NCCN2C",-11.19386184380669],["/C(C=O)=C\\",-11.1939412537974],["▁FC(F)(F)c1n",-11.194177012184372],["▁N#CC(C",-11.19430235419718],["c(C(N)=O)s",-11.194321486325098],["/C(F)=C",-11.19436997995714],["n1cc2c3c(cccc31)",-11.19450435752482],["Cn1ccc(=O)",-11.19461237062809],["ccn34)",-11.19483684303908],["CCc3ccccc32)CC1",-11.195032143811597],["c1cc(O)nc(O)n1",-11.195038665438858],["c2-c2cc",-11.19513039064012],[")cn2",-11.195145351961774],["(F)c(F)c(F)c2F)",-11.19515357633518],["c2nc(C(=O)O)c",-11.19515733550832],["-c1cc(C(=O)N",-11.1952220252367],["c3c(C)cc",-11.195427178827352],["▁CC(NC(=O)NC",-11.195505396139346],["C(=O)N[C@H](C=O)",-11.195628145963468],["N(Cc3ccccc3)C",-11.195693723038604],["CCC1CCN(C",-11.195795861357864],["c2cccc(-c3c",-11.19591862570394],["cc3[nH]2)c1",-11.195935184035632],["[C@H]1OC(C)=O",-11.195990388427305],["cc(C(C)(C)C)c1",-11.196134559832174],["n3)ccc21",-11.196149761617033],["(=O)oc2ccccc12",-11.196229588648976],["cc2c(=O)n1C",-11.1963007937942],["c1nc(C(F)(F)F)",-11.196351522207015],["▁Cc1ccsc1/C=N/N",-11.196355335423783],["C2CC(=O)N(c3ccc",-11.19641997943082],["N1CCC2(CCCN(C",-11.196433734042431],["c2ncccc2/C(=N/O)",-11.196446062651637],["c2cccc(Cl)c2C)",-11.196802412260103],["▁C1=N",-11.19686037006194],["c(N3CCN(C(=O)",-11.19705881001137],["N(c3cc",-11.19711558895128],["c1ccc(O)c(F)c1",-11.197120354914055],["nc2ccc(F)cc12",-11.197156165629112],["c3c(-c4cc",-11.197249425672434],["C4CCOC4)",-11.197327587890118],["c(C)n2C",-11.197375299698082],["c1ccccc1OCC(O)CN",-11.19749767219699],["N1CC1CC1",-11.197789908633435],["C(C)C(=O)O)cc1",-11.197906444244564],["c2c(C)cc(C)nc2",-11.197933324399656],["/C=C(\\C)CC",-11.197993852862767],["c1ccc(O)c(C",-11.19808042776696],["▁CNCC(O)",-11.1981687724153],["Cc2nnc(S)n2",-11.19828369528831],["C(=O)N(C)C)cc1",-11.198533667581888],["C(N)=C(C#N)",-11.19859007387863],["C[C@H]1c1ccccc1",-11.198600400596352],["cnc4[nH]ccc34)",-11.198630842645544],["▁CCOC(=O)c1oc2cc",-11.198654878848233],["c(F)cc3c(=O)c",-11.19872968511162],["Nc1cc(Cl)ccc1Cl",-11.198748227823684],["▁O=c1[nH]cnc2c(C",-11.198761416352266],[")c1ccc(OC2CCN(",-11.198975491544822],["N(c3ncccn3)CC2)",-11.199031301004608],["C(=O)c1ccccc1)N",-11.19913274661738],["(=O)c2ccccc2o1",-11.199147930669302],["▁COC(C)(C)",-11.19916638474567],["CCBr",-11.199181379395515],["(C(=O)N2CCCC2)",-11.19928585946774],["▁C[C@@H]1C[C@H]2",-11.199357478847013],[")c(=O)c2cc(F)c(N",-11.199360769832529],["-c3ccc(F)c(F)c3)",-11.199387998431028],["C[C@H]3OC(=O)",-11.199466781315811],["c1cccc[n+]1[O-]",-11.199530235846582],["c3cccs3)CC2)cc1",-11.199562566040164],["▁O=C(c1ccc[nH]1)",-11.199663650168468],["c3ccccc3)CC2)C1",-11.199726438649256],["c(Cl)c2)n1",-11.199916289362283],["▁CC(=O)NCCNC(=O)",-11.200244064901844],["N1CCO[C@@H]2CN(",-11.200258539925684],["Cc1cncc2c1CCN(",-11.200352147197387],["N1CCCN(C",-11.200460721334345],["cccc3[C@@H]2C1",-11.200519065938543],["N2C(=O)C=CC2=O)",-11.20058725856035],["c1c(C(=O)OC)",-11.200593420822315],["[C@@H](CS)C",-11.200758079413614],["c3ccc(Br)cc32)",-11.200836235222631],[")N[C@@H](C",-11.200929797396702],["c3cc(O)c(OC)cc3",-11.200996496062524],["[n+](CC(=O)",-11.20104540690594],["▁Clc1ccc(Nc2n",-11.201045635275207],["c1nccnc1OC",-11.201098862935805],["N1CCN(c2ccnc",-11.201344659359044],["Nc2nc(-c3ccncc3)",-11.201535004345349],["CCN(Cc1ccccc1)C2",-11.20156721899716],["c2c(-c3ccco3)",-11.201573205233508],["(C)(C)[C@@H]1CC2",-11.201620059234148],["CC2(CO)C",-11.20167669216369],["c2cc(=O)oc3c",-11.201679601895378],["c2/C1=C/",-11.20179251539229],["c1nnc(S)n1",-11.201859107616476],["c4ncccn4)",-11.201866741451475],["c1[nH]nc2c1C",-11.20189618651884],["CN2CCN(c3ccccc3)",-11.201923491937656],["C1=C(O)c2ccccc2",-11.201939828337077],["c1ncccc1-",-11.202116078513274],["c3c2CC",-11.202134432115049],["C(=O)O)c2ccccc21",-11.202147028409984],["c2c(C)o",-11.202223437707008],["c1ccc(-n2c(C)n",-11.202341854860432],["cnc2N)",-11.202373863708162],["C1(C)CCN(C(=O)",-11.202387990330507],["▁C#Cc1cc",-11.202494062617872],["nc(O)n2",-11.202496349667474],["▁CN1C(=O)C(=C",-11.20251536418768],["C(N)=S)cc1",-11.20265171592165],["nc2c1=O",-11.20268346533186],["▁CCO[C@H]1O",-11.20276176727208],["▁CCN(CC)CCNc1cc",-11.202768261364524],["▁CCCCc1cc",-11.2027836241901],["▁c1ccc(CN2CCC(",-11.202843286984589],["Oc1cc(C)c(",-11.20289302345283],["C12CCCCC1",-11.202973687683691],["c2c(c1)c1c(n2CC",-11.20309546536933],["▁O=C(NO)c1c",-11.203230843195914],["noc1-",-11.203250139585911],["[C@H]3O)",-11.203449539138369],["C(Sc1ccccc1)",-11.203708577383402],["CN(C(=O)c1cc",-11.203770617785237],["C2=C1C",-11.20378472049762],["CC(P(=O)(O)O)",-11.20380522274505],["c1cc(C)cc(",-11.203825951300498],["▁Cc1nc(C)",-11.20383702542625],["(C34CC5CC(CC",-11.203897177972316],["CCN(C(C)C)C(C)C)",-11.204154566495708],["4c",-11.204168594777071],["[C@@H]2O)cc1",-11.204252097586162],["C(=O)N(CCN(C)C)",-11.20430588841204],["N(C)Cc3ccccc3)",-11.204540876629215],[")[C@H]1CC",-11.204557829091184],["▁Cc1cccc(Cl)c1",-11.204660502663032],["n2cc(C)c(=O)",-11.20480385404202],["▁CCCC(O)",-11.20485833023564],["▁Cc1nc2cc",-11.20502260128998],["oc21",-11.205087851391855],["C(=O)C(C(=O)",-11.205163164075673],["N1CCC(NC(=O)",-11.205176318035978],["c2ccsc2c1=O",-11.20522361730058],["▁Cc1cc(O)c",-11.205249251412464],["c3ncccc13)",-11.20525580566939],["C(=O)NCC(C)C",-11.205265617292916],["c1c(O)c2cccnc2",-11.205272053278662],["C1=CC=C2",-11.205307438702462],["[C@@H](N(C)C)",-11.205344562642717],["▁Oc1ccc(N",-11.20536103858534],["▁Cc1ccc(OCCC",-11.205452476072992],["(CCCCN)",-11.205468111986098],["COc1ccccc1C",-11.20556692368477],["c1ccc2cccnc2c1O",-11.205822672282167],["c1n[nH]cc1-",-11.205876207190736],["C4CCCCC4)c3",-11.206044558465043],["n1CC1CCCO1",-11.206112187882066],["CC2(C1)",-11.206129797846012],["3c(c2)OCCO3)n1",-11.2061695946698],["c2nnc(NC(=O)",-11.20620349917266],["c2sc3nc",-11.206239279007296],["▁COCCNC(=O)c1c",-11.206248889626243],["c3c(c2",-11.206301096481567],[")C(O)(c1ccccc1)",-11.20639616788176],["F)c(F)c(F)c(F)c2",-11.206506680324097],["▁COc1cccc(CN2CC",-11.2066561405001],["▁CCOC(=O)c1c(N)",-11.2066628461013],["▁Cc1cc(O)n",-11.206681930654767],["c2ncc(C)s2)",-11.206723186736683],["c2nc(C3CCCCC3)",-11.206772101838322],["c1nc2ccccn2c1",-11.206780369912728],["▁Cc1sc2nc",-11.206845399327186],["c2c(O)c(O)ccc12",-11.207039086470148],["Cc2noc(",-11.207068677917022],["▁Cc1ncc(CN",-11.20709939450274],["\\C=C\\",-11.207151574198411],["c2cc3c(C(F)(F)F)",-11.207191731980648],["3[nH]ccc3c2)",-11.207199930888294],["[nH]nc(C)c3c(",-11.207220510112334],["ccc1-c1cc",-11.207462361716267],["▁COc1ccc(CS",-11.20766279653846],["[C@@H](CF)",-11.207677535776302],["c2cc(F)ccc2n1",-11.207694284038393],["ncn3C)",-11.207900632441955],["cccc23)",-11.207926620386118],["cc(C(C)C)",-11.20800669283585],["▁Cc1ccc(CC(=O)N",-11.208032107591794],["C(=O)Nc1ccc(-c2n",-11.208208652277346],["▁COc1ccc2c(=O)c",-11.20834087717278],["3ccccc3c2)cc1",-11.208342802474291],["▁CC(C)(C)C1CC",-11.20837413983242],["C1CC1)CC2",-11.208380741014423],["c4)ccc3",-11.208424983121452],["▁C[N+](C)(C)CCO",-11.208493013748027],["nc2c1ncn2C1O",-11.208520299928876],["▁CS(=O)(=O)N1CCC",-11.20865451735697],["▁O=C(O)c1cc(O)",-11.208729297430562],["▁COc1ccc(-c2c(C)",-11.208808134244409],["(Cl)cccc2Cl)c1",-11.208831366537904],["CN(C)CC3)",-11.208867404939744],["(C)C=C4)O",-11.208999966910678],["n3c(nc4ccccc43)",-11.20902355876292],["▁Cc1oc2c(c1C(=O)",-11.20904594224572],["N1CCNC1=O",-11.209065935692545],["c(C(F)(F)F)c2)C1",-11.209089612409056],["▁Cc1cnn(CC2CN(C",-11.20911720519216],["sc3c2)",-11.209153775754192],["c2nn(Cc3ccccc3)",-11.209155517423348],["N5CC",-11.209212888691882],["CS3)cc1",-11.20927044438863],["N(c1ncnn3c(C)nc(",-11.209374485083853],["▁Oc1cc(O)cc(",-11.209378212845456],["C1CN",-11.209387048441052],["N1CCc2sccc2C1",-11.209436215995416],["▁CC(=O)NCc1ccc(",-11.209445937161522],[")C(C)(C)O",-11.2095210272955],["CCn1c(C",-11.209569582806086],["▁Cn1cnnc1SC",-11.209754210070386],["▁Cc1cc(N)nc(C)c1",-11.209829253092025],["C[C@@]1(C)C(=O)O",-11.20991672620072],["c1cc(=O)n",-11.210108620594744],["▁CCCCCCc1ccc(",-11.21011375201594],["c1nnc(N)s1",-11.210496660061356],["C2=NN(c3ccccc3)",-11.210630806492922],["C=C/c1ccccc1",-11.210642353348444],["n(-c3cccc(Cl)c3)",-11.210701691865673],["▁O=C(Nc1cnn(",-11.210705554569012],["▁CN[C@H]1C",-11.21072227125334],["n3ccnc3C)",-11.210914952288077],["NCC1=NCCN1",-11.210949817410077],["(C(=O)O)[C@H]21",-11.211008008238508],["C(c2cccc(Cl)c2)",-11.2111806409451],["C2CCOCC2)c1",-11.211282844178816],["c1c(C)cccc1",-11.211313383458656],["4ccccc34)CC2)cc1",-11.211360214051789],["▁CC1(C)OC(=O)C(",-11.211522126907903],["▁CC(=O)NC(C(=O)N",-11.211602382689794],["COC(=O)CC",-11.211671470001386],["(C(=O)Nc3ccccc3)",-11.211718522918858],["▁CC(C(=O)O",-11.21172241482734],["nc2c(=O)[nH]1",-11.21185126436471],["O[C@H]2O[C@H](C",-11.212267768444123],["N2C(C(=O)O)=C(S",-11.212800223189433],["▁CO[C@H]1O[C@H](",-11.21283177820948],["COc2ccccc2)n1",-11.212983668631214],["c1ccc2oc(N",-11.21298712191516],["cc(C(F)(F)F)c1Cl",-11.213131452049511],["/N=C/c2ccc(",-11.213140722733783],["c(S(=O)(=O)[O-])",-11.21321320055156],["c2ccccc2)CCCCC1",-11.213222095737034],["[C@@H](C(C)(C)O)",-11.21344754804382],["c2oc(C(=O)N",-11.21346351937945],["c5c(",-11.213474817606524],["c1cc2c(s1)-",-11.213528114131758],["Cc2coc(-c3ccc",-11.213576002379677],["OC4",-11.213579100285012],["c(=O)c2=O)",-11.21367125256391],["c1ccc(CC)cc1",-11.213697615854038],["▁COc1cccc2c1OCC(",-11.213801632706671],["▁O=C(Cn1ccnc1)",-11.213837404759182],["▁Cc1ccc2nc(C)c(",-11.213923109818555],["cncc2s1",-11.213929925814211],["c(-n2ncc3c(NC",-11.213968701692174],["▁O=C1OCCN1",-11.214073659732792],["Oc2cc(/C(=N/O)NC",-11.214079111329156],["CN(O)C=O)",-11.214162652121695],["▁CC/C(=C(/",-11.214298564757389],["3)C2C(=O)N1",-11.214300966975852],["c1noc2ccccc12",-11.214322070614482],["CC[C@@]34",-11.214413181874871],["C(=S)N2CCOCC2)",-11.214446520128387],["c2c(C)noc2C)c1",-11.214467457458408],["=C(C)N",-11.21453156765226],["n(-c3ccccc3)n2)",-11.214566622428894],["c(CN4CCCCC4)",-11.21457432599684],["@H]1[C@]32O",-11.214641036785428],["▁Cl.O=C(O",-11.214800821740551],["C2=NCCO2)cc1",-11.2148467322749],["nc(-c2ccccc2O)n1",-11.214916794253082],["▁CC12CCC(",-11.215202858636726],["▁C/C(=N\\N=C(/S)N",-11.215214780707296],["▁COc1cc(CNC(=O)",-11.215266515853976],["C[C@@H](C)N",-11.215389039133411],["S(=O)(=O)c2c",-11.215390027218204],["c1c(C)nn(C)c1C",-11.21541021276924],["▁C=C(C)CO",-11.21548684983332],["▁CN(C)CCS",-11.21565557583412],[")C1CCCc2cccnc21",-11.215775294343958],["NC(=O)[C@@H]2CC",-11.21577886473632],["n[n+]2[O-]",-11.21585307484743],["3)s1",-11.216046534085589],["Cc2ccccn2)c1",-11.21606516274481],["c2ccc3c(ccn3C)c2",-11.216092779072904],["[C@H]3C2)cc1",-11.216218860513678],["c4ccc(C(=O)O)cc4",-11.216233181540462],["c2ccc(OC(C)C)cc2",-11.216389485699086],["n1c23",-11.216515400173256],["CCCP(=O)(O)O",-11.216542154127076],["c2ccsc2n1",-11.216653729778752],["c(CN(C)C)c",-11.21668378541385],["c4s",-11.216721037659116],["cc2O)",-11.216815943839864],["c2ncc(Br)",-11.216833228139809],["c(C(F)(F)F)cc4)",-11.217072548844676],["c2ccc(C3=NCCN3)c",-11.21709263126722],["N3CCCC(C)C3)",-11.217154479750796],["c1ccc(Br)cc12",-11.217351302152542],["/N=C/c2c(O)cc",-11.217433792873432],["▁CCOC(=O)CCC",-11.21743773425954],["▁Fc1ccc2c(",-11.217799194301604],["CC(=O)N1CCN(C",-11.217889121421909],["▁O=C(CCc1n",-11.217893862165583],["O)cn1",-11.217906216395072],["C2(CC2)",-11.218094276215735],["c2ccc(C)c(F)c2)",-11.218102452454897],["▁Cc1ccc2c(c1)C(",-11.218103402276242],["▁CC1(C)OC(c2ccc",-11.21824486339874],["cc4)c",-11.218350606163956],["c1ccco1)C2",-11.218515155109262],["c3ncccn3)CC2)cc1",-11.218520282246327],["CC2)O1",-11.21857242120889],["[C@H]3O)c2n1",-11.21866483576839],["▁CSC(=S)N",-11.218672978798502],["c(C(=O)N(C)C)c",-11.218995089790344],["▁CCOC(=O)c1c(N)s",-11.219162172048993],["▁Cc1cc(C#N)c",-11.219170575064284],["c1ccccc1)N1CCC(",-11.219212419049391],["▁O=C(CCCO",-11.219262241988543],["[C@@H](CCN2C",-11.219284780466642],["c4[nH]ncc4c3)",-11.21939183623022],["C(C)C)o1",-11.219497630942104],["c(C(N)=O)c2)cc1",-11.21967982346581],["c1ccccc1N1CCCCC1",-11.219714367740284],["oc2c1C",-11.219733989894165],["▁CCCCCCCC/C=C/",-11.220050166821594],["n2c(-",-11.220065006999445],["▁O=C(Nc1ccccc1O)",-11.220065279777977],["c(C4(N)CCC4)cc3)",-11.22042543565628],["c2c(c1)oc(=O)n2C",-11.22050567186467],["▁CNC(=O)[C@H]1C",-11.220806538312749],["c2ccc(-c3cnc",-11.220946685794544],["C(=O)N1Cc2ccccc2",-11.221006530486816],["(C(=O)O)ccn2)c1",-11.221231674836584],["cc(CN3CCN(",-11.221236423887172],["c(C(=N)N)c",-11.221373515354037],["O)c2ncnc(N)c12",-11.2214157584685],["c(O)c(O)c(O)c1",-11.221436436837012],["c1c(C)nn(-c2ccc",-11.221449501083825],["C[C@@H]2C)",-11.221711996835795],["c-3nc2c1",-11.22175749878706],["2c(c1O)",-11.221871257310074],["c(Cl)c(Cl)cc2n1C",-11.221874508674198],["▁CNC(C",-11.221998876320068],["nn2C)cc1",-11.222184610098353],["N1CCCC(C(=O)",-11.222272163877031],["CC(O)Cn1",-11.222290237512],["c3cc(C(=O)NC",-11.22241509423713],["▁CNC(=O)[C@H](C",-11.222509073501795],["CC(C)NCC(O)",-11.222742368526426],["=C(F)",-11.222765797938674],["/C(=C/c1ccco1)",-11.222964350267578],["OC(=O)C1",-11.222987008639748],["(OCC2CC2)n1",-11.22326589485171],["c(CCl)c",-11.22338633446361],["nc2cc(Cl)ccc12)",-11.223401182325333],["▁C/C(CC",-11.223522526828184],["CC#N)cc1",-11.223604191091038],["C(C)CC",-11.22379602779614],["c2nnc(-c3cccs3)",-11.223825992741077],["c3[nH]c4ccccc4",-11.223979057950118],["▁COCCn1c",-11.223990574308717],["▁Fc1ccc(-c2nn",-11.224024441305902],["2)co1",-11.224113778745489],["N3CCCC3)cc2)cc1",-11.224132517603351],["nc(C)c2",-11.224256888590332],["c2c3c(ccc2",-11.2242659054409],["c2nc(N)nc(N)c2",-11.224422512146203],["▁Cc1ccc2[nH]c",-11.224426413817277],["3)C2)c1",-11.224430502249934],["cc3[nH]2)cc1",-11.224507600471927],["c1nsc2ccccc12",-11.224526737311985],["NC(=O)[C@H]3N[C@",-11.22462178421572],["▁COc1ccc(C[C@H]2",-11.22462432759756],["c2nc(NCc3ccccc3)",-11.224652135044137],["▁FC(F)(F)c1cc(",-11.224656886291353],["▁CCc1cccc(CC)c1N",-11.224930741153216],["[nH]c4cccnc34)",-11.225188866965931],["C2COc3ccccc3C2)",-11.22520331907974],["1CCCC(n2cncn2)C1",-11.225309131351755],["C#C/C=C\\C#C",-11.225339018758426],["c3c(C)nn(C)c3",-11.22544035879632],["▁C[C@H]1C2Cc3cc",-11.225447175764684],["▁Nc1nc(N)c2c(n1)",-11.22545504925079],["ccc1-c1ccc(-c2",-11.22550889247754],["n3)nc12",-11.22574065342257],["CC/C(C)=C/CC",-11.225928531446163],["nc1-c1ccc(F)cc1",-11.225990145711574],["c(SCc2ccccc2)n",-11.22602904347549],["▁CC1=C(/C=C/C(C)",-11.226138938651165],["[C@@H](CCCCN)",-11.226200383284198],["c(-c2csc(N)n2)",-11.226306569532811],["3CCC[C@H]3C#N)",-11.226396694049416],["c1ccc2cn[nH]c2c1",-11.226399888353455],["C2CCCN(C(=O)c3c",-11.226491038446564],["▁O=C1C(c2ccccc2)",-11.226497473460784],["CN(CC(C)C)",-11.22658244478704],["(Cl)cc(Cl)c3)",-11.226700610938025],["c(C(F)(F)F)nc2",-11.226879075219564],["n2)n[nH]1",-11.226917011508682],[")C1CCN(C(=O)",-11.227101672900652],["c2ccccc2[C@H](",-11.227141443722084],["(C#Cc2ccccc2)",-11.2273003004027],["c(-c2noc(-c3cc",-11.227389866299765],["▁Cc1cccc2sc(N",-11.227572125636886],["c1ccccc1-c1c",-11.227699635353067],["c1ccc2c(c1)C1(",-11.227753563719624],["C[C@@H]1OC(=O)",-11.227784520162333],["▁Cc1cc(N2CC",-11.227851747729192],["COc1ccc(C(=O)",-11.227987308305826],["NC2CCCc3c2cnn3",-11.228068275314662],["c2ccc(F)c(F)c2F)",-11.228088540545532],["C1COCCN1",-11.228108037179329],["▁Cc1nc(O)nc(O)c1",-11.22822547364651],["c3nc4ccccc4n3C)",-11.228360401717064],["▁Cc1cc(C)c2c(N)c",-11.228419464670786],["▁CCc1cccc2c(",-11.22843236542044],["4C)",-11.228455110176393],[")ccc(C#N)c1Cl",-11.228531145380964],["c1cc2cc(C)ccc2",-11.22860721968694],["▁COC(=O)c1ccc(CO",-11.22867059587275],["c3c[nH]nc3",-11.228694244504233],["▁Cc1ccc(-n2nc(C)",-11.228703746301155],["c1cc2c(cc1OC)",-11.228726310530512],["cc-3",-11.228745951130293],["C1=C(O)C(=O)N(C",-11.228790474597876],["C(C)(CC)",-11.228796857429389],["n([C@@H]2O[C@H](",-11.228870274949792],["▁CN(C)c1c",-11.228969756631273],["▁O=c1oc2c",-11.228974536855889],["C[C@H](O)/C=C/",-11.229082205088217],["C#N)n1",-11.229370286174202],["NP(=O)(",-11.229394029466828],["c3cc(Cl)ccc3O)",-11.22947547322428],["cc2c(=O)n3ccccc3",-11.22978572407354],["▁C/N=C(/S)",-11.2298143836455],["▁CCC(=O)c1c",-11.22987449442426],["CCOc2ccccc2)CC1",-11.229955937295657],["/C=N/O)cc1",-11.229967742170489],["CO)c(=O)[nH]c1=O",-11.229975582768873],["c1cnn2cc",-11.229990329483655],["/C(=C\\c1cc",-11.23003930713814],["c2ccccc2SC)",-11.23016308079784],["n2)c(F)c1",-11.230369760611982],["[C@H](C)[C@H]12",-11.230375168310964],["c3n2)",-11.230388476061304],["[C@H]2C(C)(C)C",-11.23053875344442],["▁C#CCN(C)C",-11.230596037777392],["c(-c3cnc(N)",-11.230812059552427],["CCCCCCCCCC(=O)O",-11.23082441760006],["c1)CC2",-11.230856255489254],["c1ccccc1-n1cccc1",-11.230903296553272],["cc2c(N",-11.230960496941318],["c1ccccn1)CC2",-11.23098376559535],["c1cn(Cc2ccc",-11.230986448401268],["c(-c2ccc(F)cc2F)",-11.231012838166734],["c(CC(=O)O)c",-11.2312022112492],["(-c2ccc(Cl)cc2)o",-11.231264446175778],["c3c(N)nc(N)nc3",-11.23129069608134],["n(CC(C)C)",-11.231393731815524],["c4ccccc4)c3)",-11.231444815539865],["cc2)[nH]n1",-11.23160250464409],["c4cccc(F)c4",-11.231709834828486],["c(N3CCCC3)n",-11.231774760736515],["(CO)c(CO)",-11.23189468222505],["Cc3ccccc3)ncnc21",-11.232024252721692],["n(-c3ccc(C)cc3)",-11.23228634546266],["(O)cc(O)c2c(=O)c",-11.23232558669745],["(Cl)c(O)c(Cl)c1",-11.232405715879215],["C3Cc4ccccc4C3)",-11.232411949141412],["O[C@H]4",-11.23248112352384],["/N=C(/c1ccccc1)",-11.232496173564602],["▁CN(C/C=C/c1ccc(",-11.232527735725036],["C(c2ccc(Br)cc2)",-11.232702455928136],["c2nc(NC(=O)",-11.232714867798132],["nc3[nH]cnc23)",-11.232791219983945],[")c(C)n2C",-11.232964341524172],["nc3ncnn23)cc1",-11.233104114612146],["n2nc(C)c(C)c2",-11.233107748180428],["▁CCOC(=O)c1nn(",-11.23315284262906],["c2cc(OC)",-11.233238342843652],["▁Cn1cc(CN",-11.233284838325122],["[C@H]2CCNC2)",-11.23328995322055],["▁C=Cc1ccc(",-11.233316758224174],["▁N/C(=N/",-11.233372567095849],["▁OC[C@H]1C",-11.233441957379815],["c(Cl)c2ccccc12",-11.233457870557851],["c1ccc(C(=O)OC",-11.233615817387722],[")CC1=O",-11.233785533173304],["12)CCC3",-11.233886402222442],["CO3)cc1",-11.233886631355634],["n2c(N",-11.233918975446873],["C1CCCC(=O)N1C",-11.23399224613494],["[C@]4(O)",-11.234065880990103],["CCCn1c(=O)[nH]",-11.23422250045429],["CCCN2CCOCC2)cc1",-11.234406960031702],["[C@@H]2C[C@@H]3C",-11.234505178559052],["c1ccc(O)c(/C=N/",-11.234523849014224],["c3c2[C@H]1C",-11.234532830442031],["▁CCCS(=O)(=O)N1C",-11.234701717242286],["C(=O)NC2C",-11.234737499101136],["n[nH]c2c1",-11.23475116913034],["CC1=NCCN1",-11.23476236824527],["(C(F)(F)F)ccc2",-11.234890408149866],["[C@H]2O[C@@H](",-11.23492156690898],["[C@@H]3CC=C4C[C@",-11.234985987666496],["#",-11.235096737459877],["CC3)cn1",-11.235195697402954],["c1ccc(-c2o",-11.23521809017726],["C(=O)OCC(=O)N(C)",-11.235397485835296],["c3ncncc3",-11.235540120947002],["C6C",-11.23555198996205],["]1",-11.235642948484273],[")NC[C@H](O)",-11.235651222859488],["▁CC[C@@H](C",-11.235673075298813],["CC2NCC",-11.235703142370545],[")c1nc2ccccc2o1",-11.235785359551723],["nc(NCCCO)",-11.236155742456202],["▁COc1cc2nc(N3CC",-11.236345733002285],["OCCF)",-11.236470506362425],["c1nc2sc3c(",-11.236529374432738],["N=C(SC",-11.236604046375463],["c(-c2ccccc2)s1",-11.236616991137456],["▁COc1cc2nc(N",-11.236734683315522],["▁CCc1nc",-11.236743194220946],[".O.O",-11.236840029639293],["C(CO)CO",-11.236867676597592],["▁CCCOc1ccc(C",-11.236868316615848],["c2cccc(C(=O)O)",-11.236901900536775],["cc2)c(=O)c1",-11.23699275648729],["c2ccc(Br)cc2)C1",-11.237152151899362],["n1-c1ccccc1Cl",-11.237235373693007],["▁CCC1CN(C",-11.237272619808582],["▁Cc1nc(N2CCCCC2)",-11.237366039528863],["c(/C=N/O)c",-11.237380409253156],["▁Cc1nc(N2CCOCC2)",-11.237475507671007],["▁CC(=O)N1CCC(N",-11.237522540799969],["▁COc1cc(C(=O)O",-11.237595978342004],["-c1ccncc1",-11.237754282210474],["c(-n3cc",-11.23779563946612],["CN(CC3CC3)C",-11.23783854936163],["N=C(c2ccccc2F)",-11.237968845419218],["▁Cc1cc(O)ccc1",-11.238006225830157],["▁O=c1[nH]c2ccc(",-11.238043941593062],["N3CCCCC3)cc2)cc1",-11.23813610766552],["C(=O)N(C2CCCCC2)",-11.23814886651999],["CC[C@]2(C)C(=O)",-11.23818825067374],["▁CCSc1nnc(",-11.23825179653486],["(/C=N/n2cnnc2)",-11.238383206698522],["c2ccccc2SC1",-11.23860924547354],["c1cccnc1Cl)",-11.238685067526394],["c3c(=O)c4ccccc4",-11.238721428808436],["cc2c1C=[N+](",-11.2387464327753],["COc1c(Br)cc(",-11.238748024817138],["CCOCCO)",-11.238752404716704],["nc(-c3ccccc3)o2)",-11.238780689613089],["C(=O)c1c2c(n3ccc",-11.239038886072311],["▁CCCC(=O)NCC",-11.239100446080723],["N=C1NCCN1",-11.239105732059762],["c(-c2ccccc2F)n1",-11.23915102375243],["▁COc1ccc2nc3",-11.239333823576732],["▁CCNC(=O)O",-11.239422307020009],["c[nH]c2n1",-11.239583023802858],["N2CCN(c3cc",-11.239650091405434],["3CCCCC3)c12",-11.239720352795969],["c1ccc2c(c1)CCC2)",-11.239896334563165],["▁O=C(O)C1CCCCC1",-11.239995990647884],["▁C[C@@H]1O[C@H](",-11.240027329814776],["-n2nccn2)",-11.240223469283428],["▁Cl.Cl.NCC",-11.240241474152391],["nc(-c2ccccn2)nc1",-11.240268573547194],["▁CC1CC(C)(C)",-11.240374376892545],["OB(",-11.240578036816183],["c(-c2ccccc2)cn1",-11.240597545105164],["2)S1",-11.240659503109846],["/C=C1\\C(=O)N",-11.240795525923623],["CCC/C1=C\\",-11.240826258565695],["C(=O)c1cc(C)",-11.240926064556335],["3nc(O)nc-3cc2c1",-11.241022594620167],["c1ccc2cc3n(c2c1)",-11.241022754964485],["-n2ncc3c2CCCC3N",-11.241026510194969],["cc2c3c(oc12)CC",-11.241040923948011],["c1cnn2ccc(N3CCC",-11.241070677383023],["(Cl)cc(Cl)c2)",-11.241176926002517],[")=C\\C(=O)O",-11.24119506675379],["C(C)(C)N1[O]",-11.241201918484704],[")Nc1ccc",-11.241293504378367],["[C@@H]3CCCN3",-11.241343196720992],["(-c3ccc(C)cc3)",-11.241378069637506],["▁COc1cccc(F)c1",-11.24140638327247],["-c3ccc4ccccc4c3)",-11.241422069994522],["C(=O)N1CCc2c(",-11.24145895222654],["c1cn(-c2c",-11.241477034977024],["▁CCOc1cc(C(=O)N",-11.241552119971658],["▁CN(C)c1cc(",-11.241630014629418],["c2sc3ccccc3c(=O)",-11.24166632622679],["nc2ncccn12",-11.2416889286872],["c1nc(C(=O)NC",-11.24187015506083],["c1ccc2c(ccn2C",-11.241879914963716],["c(=O)c(O)c",-11.242028020585908],["▁CC1(C)CC(N",-11.242041976439062],["C(=O)OC)c1",-11.242171226011548],["c3cccc(C(N)=O)c3",-11.242314763783856],["▁OC1CCN(",-11.242391275435589],["▁CN1C2C",-11.242453261401293],["c2ccc(F)c(",-11.242498194078834],["CCCNC3=O",-11.242527177084918],["c2[nH]c(-c3ccc(",-11.242559998696125],["C)n2)cc1",-11.242617072905954],["C[C@@H](N)C(=O)O",-11.24266220227284],["=N/N",-11.24276018199584],["cc(-c3ccc(F)cc3)",-11.24285493392622],["c(-c2ccccc2)n(C",-11.242905582086802],["c(C(N)=O)c1C",-11.24293088705628],["▁N[C@@H](CS",-11.242933298340224],["[nH]c(=O)n1",-11.24301077485637],["C2=NOC(C",-11.243012263046596],["n1CCO",-11.243071682820784],["c2c1cnn2",-11.243103271268646],["c(C(=O)N3CCCCC3)",-11.24311396827535],["c(C3=CC",-11.24316039566147],["c1ccsc1)C2",-11.243179208924008],["▁CC(=O)Nc1ccc",-11.243236308565944],["c2cnc(N3CCOCC3)n",-11.243393557830846],["c(C#N)cc2c1",-11.243414414611674],["Cc2csc(C)n2)",-11.243543202150551],["▁O=C(Cn1c(=O)",-11.243641426261052],["c1nn(",-11.24382827083766],["nc(S)n1",-11.24384090770263],["c(-c2ccccc2)c(",-11.243873374050526],["▁CC(=O)C1=C(C)N",-11.24407542998262],["cc2C#N)cc1",-11.244097132004004],["C(C)C)n2)cc1",-11.244213967369884],["c2c3c(sc2n1)CCC3",-11.24437957368502],["C(=O)N(c2ccc",-11.244402431722046],["3)sc2c1",-11.244411099292712],["@]2(C)O[C@@H]2",-11.244429225975],["c[n+]2C",-11.244440457463028],["(NC(=O)CC)",-11.244456985236551],["N2CC2)",-11.244543052580966],["/N=C/c1cccs1",-11.244596030562011],["▁CN(C)CCNc1cc",-11.244606834478189],["c(-c2ccoc2)",-11.244640458515992],["cn1)c1ccccc1",-11.244724470698245],["1CCC2(CC1)",-11.244791755445494],["▁COc1ccc(CCNC",-11.244825445603734],["N2CCC3(CCN(",-11.244846689144088],["▁Cc1cccc(CN2C",-11.244953606995123],["NC(=O)c3ccco3)",-11.244971869221128],["▁COCCn1c(=O)c",-11.24507547020268],[")Cc1coc2ccccc12",-11.24509561208544],["c(N)nc2",-11.245234615815022],["C(=O)Nc2nncs2)",-11.245363947490128],["c1cccc(OC)c1OC",-11.245405521734602],["C/C=C/CO",-11.245413866771305],["N(C)C(C)C)",-11.24562120319585],["2CC(=O)N(",-11.2456278699958],["c1ccc(/C=C2\\C=C",-11.245646460749494],["CN(C)CC3",-11.24578746315898],["/C=C/Br",-11.24591743882075],["C1=C(c2ccc",-11.245994261505654],[")SC1=S",-11.246113705355508],["sc3n2)c1",-11.24619304290771],["cc3)cc12",-11.24620198473417],["1CCc2ccc(O)cc2C1",-11.246212644463446],["c2cc(NS(=O)(=O)",-11.246290777049694],["C1=NNC(=O)",-11.246322455969374],["cc(O)c2c1",-11.246324500943125],["c1cc(Cl)c(Cl)",-11.246366714806072],["▁CCN(CC)CCCO",-11.246553245034873],["c4ccc(C#N)cc4)",-11.246605290888724],["c(OC)c3)",-11.24665229361435],["nc3c2oc2ccccc23)",-11.246818008463976],["▁Fc1ccc2[nH]c",-11.24694302341134],["▁Cn1ccnc1CN1CC",-11.247043995810872],["c2cccs2)n1",-11.247124843744851],["[N+]2=C",-11.24720565350155],["C[N+]2(C",-11.247221327846177],["c2c1cccc2",-11.247267776646993],["CC[C@@]43C)C1CC",-11.247324721376948],["C[N+](C)(C)CCO",-11.247367528313411],["c1nc2ccccc2o1)",-11.247520302639384],["▁CCN(CC)CC(O)",-11.247595943113604],["C(=O)N(C)C)c1",-11.24762347629969],["▁O=C(c1ccccc1Cl)",-11.247626685281324],["c(=O)[nH]3)",-11.24774154444258],["C(=O)N2CCC[C@H]2",-11.247914964712647],["c(NC(=S)NC(=O)",-11.247931680192558],["▁O=C1C[C@H](O)C",-11.248010481984087],["▁COc1c(Cl)c",-11.248032696622456],["nn4C)",-11.24815993619562],["c1ccc(C(=O)O)nc1",-11.2482521654239],["c2ccccc2C1=O)N",-11.248255547288514],["▁O=C(c1ccoc1)N1C",-11.248296971509676],["n1c(=O)n(C(=O)",-11.2483636142601],["c1oc(=O)c",-11.248422292089488],["c1ncc2c(n1)CN(",-11.248594772952355],["cc2n(C)c1=O",-11.248721903593411],["▁CCSc1cc",-11.248804178330676],["c1ncc(-c2ccc",-11.248814001834369],["▁CCc1c(C(=O)N",-11.248890323576452],["c(N)n2)c1",-11.24899566391015],["▁O=C(Nc1ncc(C",-11.24928369978052],["▁FC(F)(F)c1ccc",-11.249413754616045],["▁CC[n+]1c(",-11.249446602423328],["cc3)sc2c1",-11.249587934916413],["[C@H]3CCCCN3",-11.249684968770058],["▁CCn1cnc2c(N",-11.249694870554537],["C(=O)Nc1nc2ccc(",-11.249744772798495],["CCc2ccccc2)s1",-11.249769063728754],["/N=C(/N)",-11.249834339052146],["▁NCCc1c",-11.249835712959108],["ccc2O)cc1",-11.2499433487273],["c1ccc(-c2cc3",-11.24998129961913],["(CC(=O)NC",-11.249987384623177],["c3c(O)ncnc32)",-11.250000907016403],["C(=O)CCC(=O)O)",-11.250043181069334],["c(-c2cccnc2)nn1",-11.250085758423545],["(c2ccccc2)N1",-11.250135015542083],["▁Cc1cc(CN2CC",-11.250192462889483],["C(c2ccccc2F)",-11.25046059603499],["C(=S)N(",-11.250475743578097],["▁Cn1nccc1-",-11.25055269322762],["NC(=O)Cn2nc",-11.25068840167439],["C(=S)N2",-11.250718451044968],["▁Cl.NC1CC",-11.25072034166877],["(=O)c2c(O)cccc21",-11.250764735055188],["c2=N)",-11.250771607671908],["▁C[C@H]1CN(C",-11.25077225854369],["▁CCNC(=O)c1c",-11.250777127714064],["c(-c4ccccc4)c3)",-11.250859789991718],["Nc1ncnc2o",-11.250917015417633],[")[C@H]1CCC",-11.251010167726283],["cc(Cl)c2",-11.251091748679087],["▁COc1ccc(N(C",-11.25109961066818],["c2cnc3c(c2)",-11.251125415025156],["3cc(Cl)ccc23)CC1",-11.251141592965254],["c(-c3cnc(N)nc3)",-11.2511816674871],["▁CNCCN(C)",-11.25125848522664],["c2nc(C#N)c(N",-11.251457310466732],["c3c4c(n",-11.251460368076003],["c1ncnc2ccc(-c3cc",-11.251486972102835],["N(c4ccccc4F)CC3)",-11.251660917547463],["/C(=C2/",-11.251774343900816],["C(=O)NCCCn1ccnc1",-11.252023696415554],["C(=O)NC1CC",-11.252089315965376],["CSc1ccccn1",-11.25217436935511],["▁CCCCCCS",-11.252228337592207],["▁Nc1[nH]",-11.25247100460204],["c1noc(-c2",-11.252471518275822],["▁O=c1ccc2ccc(OC",-11.252579020794936],["cc(C(O)",-11.2525938940176],["[C@](C",-11.252673724422298],["▁O=C(C1CC1)N1CC",-11.25284363730726],["▁Nc1n[nH]c(SC",-11.252868480058371],["[C@H]31",-11.252953428480994],["nc(-c2ccccc2)c1",-11.253006695358255],["c3[C@@]1(C)CCN2C",-11.253036140163166],["C#Cc1cc",-11.25308076921067],["cc12)c1ccccc1",-11.25310457238536],["▁O=C(O)CC1(C",-11.253124381041504],["C(=C/",-11.25339974900563],["ccc23)C1",-11.253477496448264],["nn(-c4ccccc4)c3",-11.253563016122026],["▁O=C1NC(=O)N(C",-11.253665766470224],["C2=S)",-11.253739418997403],["▁Cc1ccc(CC",-11.253760085598325],[")c[nH]c12",-11.253822826236068],["c1nccc(-c2c",-11.253829141706078],["c23)CO1",-11.253934056667466],["▁CC(NC(=O)CO",-11.253973203027783],["-c2nc(C)nc(N)n2)",-11.253974134151596],["c(N4CCNCC4)",-11.254112623745357],["▁C/C(=N\\OC(=O)",-11.25422284043418],["c3ncccc3F)",-11.254277166819168],["▁NCCCCN",-11.254287230447645],["nnc(-c2ccncc2)s1",-11.254392587128017],["n1-c1cccc(Cl)c1",-11.254397909209182],["▁CN(C)CCNc1n",-11.254449490771435],["C(=O)CCC(=O)O",-11.25467308373969],["▁O=C(COc1ccc",-11.254760348122003],["NC(=O)c2ccccc2F)",-11.254771746016385],["c2nc(-c3ccccc3F)",-11.255186202474952],["Cc1ccc(O)cc1)NC",-11.255227680024015],["n1ncnn1",-11.255284474310434],["COCCO)",-11.255339280190007],["[C@@H]2C[C@@H]21",-11.255351065767805],["nc2-1",-11.255386065338286],["C2OC2",-11.255433617298372],["c(=O)c2ccccc2n1C",-11.255570802937218],["c2cnc(-c3ccccc3)",-11.25571929912558],["▁CCc1cccc2",-11.255754740413863],["c2nc(Cl)n",-11.255776525379751],["▁CC[C@@H](N)",-11.255849279456598],["c(-n2cc(C(=O)",-11.255901594721404],["oc2c1OC",-11.255961153282882],["▁CNC(=O)c1cc(O",-11.256052260798782],["c(Cl)cc(Cl)cc1Cl",-11.256220261324698],["=C(C(=O)OC)C1",-11.25643739574933],["▁COc1ccc(F)c(",-11.256518351862718],["▁CC1CCN(C(=O)C",-11.256554890405544],["c3ccccc3[n+]2C)",-11.256827587569475],["▁CC1(C)OC(=O)",-11.256944954887237],["▁CC(C)C[C@@H]1",-11.256969688218778],["[C@H](O)[C@@H]12",-11.2571482573229],["▁COc1cc(OC)nc(",-11.25719986624885],["c2N",-11.25739480467293],["4)CC2)cc1",-11.25743530885772],["-n2ccnc2SCC(=O)N",-11.257482986825709],["▁Cl.OCC",-11.25769866752242],["cc2C(=O)N1",-11.257715870957073],["@]1(C)O[C@@H]21",-11.2577205711394],["▁Cc1ccc(NC(=S)",-11.257788390770914],["[n+]3[O-])",-11.257798829359466],["S(=O)(=O)N1CC",-11.258050840179624],["c(N3CCCC3=O)cc2)",-11.258249882049808],["/N=c1\\",-11.258389906861762],["▁NC(=O)c1c(",-11.258461278279372],["cc3c2cc1OC",-11.258573072369323],["ccc2O)c1",-11.258576976208724],["N1CCCC(C(=O)N",-11.258691486447344],["C[C@]2(C",-11.258708838036082],["c3)nn12",-11.258713122639207],["▁COc1cccc(C2C",-11.25872606849812],["c1cc(F)cc(Cl)c1",-11.258871813468325],["c2ccccc2)CCCC1",-11.258891096624756],["NS(C)(=O)=O)c1",-11.258924369370554],["c1cccc(CN2CC",-11.258942272717457],["c(O)cc4CC[C@H]3",-11.259016142924963],["3)nn2)c1",-11.259135165686615],["[C@H](NC(=O)OC",-11.259172683717264],["N2C(=O)[C@H]([C@",-11.259251092007066],["C3CC=CCC3C2=O)",-11.259433871304976],["CCO4)",-11.259480921587349],["[C@H](C1)",-11.259872860885007],["OCC(O)CN2CCN(",-11.260089478470608],["[n+]3cc",-11.26021370836905],["▁CC(C)(C)NC(=O)N",-11.260221530456734],["c(=O)oc2c(C)c(OC",-11.260515747566387],["=C(C#N)C(=O)",-11.260716339628663],["▁CCCCNc1nc",-11.26088484129366],["c1ccc(Oc2nc",-11.26105248236422],["c1ccc3ccccc3c1)",-11.26109236906538],["▁N=",-11.261108332397708],["c2ccsc2)CC1",-11.261134384068775],["▁C=CCc1c(C)n",-11.261197509521434],["c1ccc(I)cc1)",-11.261222712240562],["c3ccccn3)n2)cc1",-11.261437859148224],["c2ccc(O)cc2)n1",-11.261541112226167],["[C@@H]1CCCCN1",-11.261585052309366],["3CC(C2)CC1C3",-11.261591681819802],["c(-c3nc",-11.261649501243047],["▁CN1/C(=C\\",-11.26165989962487],["C#CCCCC",-11.261730021594545],["c1nnc2n1N=C(",-11.26177984855595],["[C@H]1CNCC",-11.261960061369075],["▁COc1cc(C)c2nc3",-11.262086769339607],["C=CC21",-11.26211206716603],["c1cncc(-c2cnc3c(",-11.262164610017717],["c2cc(-c3ccncc3)c",-11.262171346508602],["▁Cc1ccc2nc",-11.262268980126342],["▁COc1ccccc1CN1CC",-11.262278059729944],["[C@](C)(CC",-11.262599790370924],["c3ccc(C#N)cn3)",-11.262606763394704],["▁C[C@@H](NC(=O)N",-11.26262073749124],["c2c(c1)c1c(n2",-11.262623507774157],["C=C2c3cccc4[nH]c",-11.262831189189844],["c(Nc2ccc",-11.26285085955509],["▁C#CCSc1n",-11.26298712400153],["▁CC1(C)COC(",-11.26302924560772],["cc(-c4ccccc4)",-11.26306542109656],["[C@@H](CN)",-11.263098994708836],["Cc4cccnc4)",-11.263131505054584],["NCc2cccs2)",-11.263239852506556],["▁Nc1nc(N)c2",-11.263262069611496],["nc(C)c1",-11.263371387298657],["c(=O)c2O)",-11.263535310077478],["[C@H]2CCCNC2)",-11.263549267211944],["▁Fc1ccc(C(",-11.263608833358395],["n(Cc3ccc(Cl)cc3)",-11.263655019381346],["CC3(CC",-11.26372065535428],["c1ccc2c(c1)nnn2",-11.263803590463844],["c(Cl)c(N",-11.263826240816398],["c1ccccc1Cl)c1cc",-11.263856320950929],["c2n[nH]c3cc",-11.263896112671128],["▁NCCS",-11.263954230200447],["c4ncccc4c3",-11.263967645327508],["c2ccc(Cl)cc2)cn1",-11.263985464053484],["▁O=C(O)c1cc(N",-11.264111911028936],["▁CN1C2CCC1CC(N",-11.264163479557496],["c2C#N)C1",-11.264166345469718],["C(=O)CCl)cc1",-11.264230593577434],["c1nnn(",-11.264341280705544],["N1CCC2(CCN(C",-11.264503340829505],["▁Cc1cccc2nc(-",-11.264532075216552],["N2CCC1CC2)",-11.264564329998883],[")=N\\N",-11.264669956312348],["C2(CO)C",-11.264915686667193],["c2nnn3c2",-11.265100466847034],["C2(O)CCN(C",-11.265119620888346],["▁Br.N",-11.265152406851689],["C(C3)C1)C2)N",-11.265222414665484],["[C@@H]3C2)cc1",-11.26529481766015],["c3sc4ccccc4c3",-11.265310319614075],["▁Cc1ccccc1N1",-11.26533029843292],["▁O=C1C[C@@H](",-11.265429670423732],["c1cc2c(o1)C",-11.265461269199676],["cc(-c2ccc3ncnc(N",-11.26550997172114],["CCC(N)C(=O)O",-11.2655346363906],["sc2ccc(Cl)cc12",-11.265558397655528],["/c1=N/",-11.265750438492056],["▁CC(C)NS(=O)(=O)",-11.26585277091199],["▁O=C(O)c1ccc(O",-11.26593210593136],["c1noc(-c2cc",-11.265990360772545],["▁Fc1ccc(-c2[nH]",-11.266052134133131],["nc(-c2ccccc2)nc1",-11.266288532195304],["nc(NN)",-11.266311701381872],["c1cccs1)c1ccccc1",-11.266335956611549],["3oc(=O)ccc3c2)",-11.266357322303502],[")C(C)(C)CCC1",-11.26644365401074],["nc(-c3ccccc3Cl)",-11.26647188412508],["NC(=O)CN(C)C",-11.26655956305623],["(-c2nc3ccccc3s2)",-11.266593079268732],["C3)nc1",-11.266720265907685],["COc1cccc2c1",-11.266740330385094],["2)CCCCC1",-11.26676313089544],["[C@@H]1C=C[C@H](",-11.266767180794018],["c1[nH]nc2ccccc12",-11.266900079087252],["c3ccn(C)n3)",-11.267046263588682],["▁CC(C)N(C)C",-11.267127247657609],["▁COc1ccc(OCCC",-11.267146709353128],["c(C)nc2",-11.267251090480544],["c(C(=O)O)cc2c1",-11.267305156218374],["c1ccc2oc(-c3cc",-11.267343655735544],[")NC1",-11.267376205934257],["c1csc(-c2ccc",-11.267473527289454],["CC[C@@]2(O)",-11.267503129209826],["/C(C)=N\\N",-11.267506717286032],["▁C[C@H](Nc1nc",-11.267637870874896],["nc(-c3ccco3)nc12",-11.267649661246848],["/N=c1/",-11.267815391053707],["[nH]c2cc1Cl",-11.267879049249276],["COc1ccccc1F",-11.268009906459016],["▁CC(=O)N(C(C)=O)",-11.268038421395683],["▁Cc1sc(-",-11.268227734050964],["▁CC(C#N)",-11.268380343331035],["c(CO)c1",-11.268381364481268],["c2ccccc2Cl)C1=O",-11.268442879550465],["▁CC(CN(C)C)",-11.268450665839977],["CC)n1",-11.268525949322951],["C2(CCN(C)CC2)",-11.26858029138741],["▁Cn1nc(C(=O)N",-11.268602387033209],["▁COCCN(C)C",-11.26867342949526],["N2CCc3c",-11.268690205492078],["/N=C/c1ccccn1",-11.268764713187892],["C(=O)[C@@H](C",-11.269263187033992],["(-c4cccs4)",-11.269266902807516],["c(C)n2n1",-11.269347688762466],["c(=O)cc(C)",-11.269441561072217],["nc(N(C)C",-11.269562756294071],["▁NCCNC(=O)",-11.269753446219394],["CC(O)COc1ccccc1",-11.26978913809101],["C(=O)N1CCCN(C",-11.269813036198908],["▁c1ccc2nc(",-11.269841604117094],["(C(=O)NC(C)(C)C)",-11.269921117147888],["c2nc(C)cc(C)c2",-11.270047001865674],["c2nc(C(F)(F)F)",-11.270149839032344],["C(=O)C2C1",-11.2701996970663],["nc2S",-11.27024901826876],["▁CCOP(=O)(CC",-11.27028138297102],["c1ccc(-c2csc(",-11.270355531965064],["c(Br)c3)",-11.270608258195873],["3)c(C)c1",-11.270681897717628],["[C@]4(C",-11.27087235896052],["c2c3c(c4cc(O",-11.270973193436044],["C1CC2C=CC1C2",-11.271075253152713],["n1cc(C(=O)O)c(",-11.271131426425749],["▁Nc1ccc(O",-11.271184443799203],["▁CCCC[C@@H](",-11.271221487285471],["(COC(=O)",-11.271263294943932],["c1ccc2c(c1)nc(",-11.271448529943344],["▁Cl.N=C(N)N/N=C/",-11.271601073220168],["[C@@]2(O)C",-11.27180001497504],["n3cnnc23)cc1",-11.271809993444258],["c2c(nc3n2CCCN3C",-11.271897075426942],["▁COC(=O)c1cc(=O)",-11.272080016763493],["c2[nH]nc(N)c2",-11.272089016812815],["c(=O)[nH]n2",-11.27211103935194],["3)CC2)nc1",-11.272165452219912],["▁N.",-11.272179350240483],["▁NC1=N[C@@H](",-11.272212154476495],["CCC(CN",-11.272251272352229],["C1=C(C#N)",-11.272313081910768],["c(OC)cc1Br",-11.272318127874286],["▁Oc1ccccc1C",-11.272380553928812],["[C@H]1CC[C@H](C)",-11.272534857208882],["c2cc(-c3cnc",-11.27256679255612],["=C(CO)",-11.272704357139377],["C3CNC",-11.272705842422004],["C(F)=C",-11.27275759137592],["c(-c3ccco3)nc2c1",-11.2728654903918],["C(CC(C)C)NC(=O)",-11.272894816490007],["cn(Cc2ccccc2)nn1",-11.272899840703584],["NCc3ccco3)",-11.272922169343715],["c(C(=O)N3CCN(",-11.272943476776549],[")CCc1c",-11.272970461749388],["c2nccn2C",-11.272995088342288],["CCNC2=O",-11.273060013193216],["▁C[C@H]1OC(=O)",-11.273083277048563],["C(=O)NCC(C)(C)",-11.273278493319628],["ccc1OC(C)=O",-11.27333949392872],["c1cc2c(s1)C(=O)",-11.273342142076611],["CN3CCN(C)CC3)",-11.273844020276483],[")NC(C)=O",-11.27389185256737],["/C(C#N)=N/",-11.274154336546651],["▁Cc1cc(N(C)C)nc(",-11.274185220491944],["▁O=c1/c(=C/",-11.274220492699616],["CCCF)",-11.27422379256603],["c1ccc(SC(F)F)cc1",-11.274231750735003],["/C(O)=C1\\C(=O)",-11.2742670633855],["▁CCC(O",-11.274393883696424],["▁O=C(NC1=NCCS1)",-11.274456052465403],["c1ccc(O)c(Br)c1",-11.27461628372139],["4)n",-11.274652823198547],["c2)CCCN3C(N)=O)c",-11.27478045452416],["c1nc(C)nc2c1",-11.27482276039349],["=C(C)N1",-11.274924980974555],["(C#CC(C)(C)O)",-11.27513339460815],["c3cncnc3",-11.275196890718895],["▁CCc1ncnc(N2CC",-11.27529820430749],["C3(C)C)cc1",-11.275377727890104],["(C(=O)O)[nH]c2c",-11.275579831456568],["c(-c3nc4ccccc4",-11.275603917204007],["▁CCc1cc(C(=O)N",-11.27564394767511],["C2=NCCCN2",-11.275695523060673],["c(-c1ccccc1)cn2",-11.275759915904544],["▁Cc1ccc2oc(-c3cc",-11.27584137013257],["Cc1ccccc1)NC(=O)",-11.275905446983009],["/N=",-11.276030508345231],["C[C@@H]3[C@@H](",-11.276092537577073],["[nH]c1-",-11.276111714104086],["c3cc(C(=O)O)",-11.27614515996616],["c3c(Cl)cc(Cl)cc3",-11.276147432838403],["cc(C(N)=O)c3)",-11.276190655278876],["c(-c3cccc(N)c3)",-11.276229204648928],["▁CN(C)C1(C",-11.276243988402843],["▁O=C1O[C@@H](",-11.276247882353156],["N1CCN(C)CC1)",-11.276500348334922],["C[C@H](NC(C)=O)",-11.276567866260882],["▁CC(C)n1cc(",-11.27660493824074],["c1cc(-c2ccncc2)c",-11.276634810819855],["▁Cc1ccc(Cn2cc",-11.276722315707053],["c2ncnc1-2",-11.276800951274495],["c1ccn(",-11.27703635101958],["▁CCCC(=O)OC",-11.277301988181566],["▁O=C1CSC(=S)N1",-11.277375263910873],["▁CC(C)c1ccc2c(c1",-11.277483026708374],["[C@H]1CCNC1",-11.277485563683772],["▁O=C(O)C1CN(C",-11.277512265011085],["(C(=O)NCc3ccco3)",-11.277560842932772],["C2=C(C1)",-11.277809708221266],["OC[C@@H]1",-11.277815888343577],["ncn4",-11.277888776498475],["-c2[nH]ncc2",-11.27790237930251],["2)cs1",-11.277904526981136],["C(=O)c2sc(N",-11.27798189197063],["▁CCn1c2ccccc2",-11.278082226458364],["c2cccc(O)c12",-11.278087730578942],["C2=NC(=O)/C(=C/",-11.278318724075492],["nc(C(=O)N",-11.27833795114582],["ccc3[nH]2)CC1",-11.278470893042872],["▁O=C1C(=C",-11.278505521500607],["▁CCC1(CC)C",-11.278714206612786],["C(=O)O)cc2)c1",-11.278814893228954],["c2)nc(N)n1",-11.27884087382967],["c(=O)oc3c2)",-11.278858919296404],["▁Cc1cccc(CO",-11.27887552415612],["c(-c2nc3ccccc3",-11.278891410417398],["c4ccc(Cl)",-11.278998101296942],["Cc2ccccc2)nnc1SC",-11.27902179635559],["c(N2CCNCC2)n1",-11.279042664985786],["CN(c3ncccn3)C",-11.27909519359689],["▁CC(C)C[C@H]1C",-11.279122641902152],["N=C2S",-11.27925437141197],["▁Cc1sc2ncnc(N",-11.279290281655117],["▁COc1cc2c(c(O)c1",-11.279312120597092],["c3ccc(NC(=O)",-11.27931811461946],["[C@@H]6",-11.279387609618375],["c(c13)",-11.279473823913085],["C[C@H]1CC[C@]2(C",-11.279475538636918],["▁COc1ccccc1OCCN",-11.279569298950856],["c(-c2cnc3ccc(NC",-11.279575018310457],["c1nn(-c2c",-11.279579514714788],["C1=Nc2ccccc2",-11.279686021820783],["▁COC(=O)/C=C\\",-11.279753664151468],["c1nc(NCc2cccnc2)",-11.27978917499457],["C[C@H](C)OC2=O",-11.27986815185458],[")[C@@H]1CCCN1",-11.280152390685778],["C2)ccc1O",-11.280272927116346],["-c2nccc3",-11.280286648711128],["CNCc2coc(-c3ccc",-11.280598222401975],["c1ccc(C2=NN(",-11.28063149087319],["▁NC(=S)N1N=C(",-11.280648403037182],["▁O=C(NN1C(=O)",-11.280713995471064],["nc(SC)n1",-11.280744855957083],["Cn1cnc2c(nnn2",-11.280754562560071],["[Si](C)(C)",-11.280772749651025],["c3ccc4",-11.280791148558452],["[C@]5",-11.280826155686484],["c(-c2ccccc2)nn1C",-11.28092282479924],["(C)=CCC/C(C)=C\\C",-11.281083097440812],["c2c(N3CCOCC3)n",-11.281097531179269],["▁Cc1cn([C@@H]2O",-11.281163179486173],["▁Cc1csc(CN",-11.281267712780211],["C)CC2)c1",-11.281346249939638],["C2CCC2)c1",-11.281506326040423],[")C1CCN(CC",-11.281544533824432],["▁COc1ccccc1/C=N/",-11.281554787293707],["c(F)c3F)",-11.281572903615109],["(Cl)ccc(Cl)c21",-11.281582247075452],["C(=O)NC2CC2)s1",-11.281596882368545],["C(=O)Nc2cccc(-",-11.281631632761986],["n2cnc3c(N)nc",-11.281686466207637],["[nH]3)n[nH]c2c1",-11.281721056391207],["C(=O)CCCCC",-11.281771442622269],["▁Cl.Oc1ccc(",-11.281817773099636],["CCCNC(=N)N",-11.28184562607771],["c(=O)c2O)cc1",-11.281858495041906],["cc2c(=O)n",-11.28193478280472],["[C@@H]1CCN2CCc3c",-11.281950987185295],["c(=O)[nH]c2=O)c1",-11.281963762680745],["3ccc(=O)oc3c2)",-11.281976954751466],["▁Cc1cn(C2CC(",-11.282018916509998],["c(C(F)(F)F)c3)c",-11.28202422867254],[")n2Cc1ccccc1",-11.282082754449334],["▁Cc1cc(=O)oc2",-11.282090058403211],["nc(NC(=S)N2CCN(",-11.282142181362698],[")c1csc(N)n1",-11.282259957286788],[")CC1.Cl",-11.282284226551578],["c1c2n(",-11.282447390446531],["[C@H](O)[C@H](C)",-11.282476570836485],["ccn3)",-11.282794365213164],["▁COCCCN=C(S)N",-11.282888725346076],["=C(C#N)C#N)",-11.283005747786255],["OCc1ccc(-",-11.283053218411354],["▁Cc1ccc2[nH]",-11.28311950145051],["C)c(=O)on1C(=O)",-11.283132865069874],["CC3)n1",-11.283327064069924],["▁Cc1cc(C)c2c(n1)",-11.28343038809818],["N(c2cccc(Cl)c2)",-11.283475180462553],["c(C(F)F)c",-11.28356052770729],["c3c2OCCO3)CC1",-11.28371525257267],["-c2nc3ccccn3c2N",-11.283796796211806],["c1ccc2cccnc2c1",-11.283836023486288],["c(=O)n1/N=C/",-11.283878874841731],["CO)n",-11.283931361637404],["▁COCCCNC(=O)C",-11.283973851193924],["c3nc4cc(Cl)ccc4",-11.284064355166487],["▁COc1cccc(C(O)",-11.284227137750795],["▁Nc1nc(O)c2[nH]c",-11.284289240247066],["o2)c(OC)c1",-11.284998972887822],["▁O=S(=O)(O)c1cc",-11.285030636263794],["coc12",-11.285557278842449],["NC(=O)c1onc(CS",-11.285565606696071],["N=C(SC)",-11.285570932344054],["nc(S(C)(=O)=O)",-11.285579043728482],["F)c1",-11.285785200147403],["c2cc(C(=O)OC)",-11.285786204793837],["N4CCCC4)CC3)",-11.285840790998805],["▁COc1cc(/C=C2\\C",-11.28591722501784],[")c1cccnc1Cl",-11.285945341416848],["▁CCC[C@H]1C",-11.286040692114124],["c2C)o1",-11.28608719004416],["▁Nc1ccccc1C(=O)N",-11.286152270203305],["CC1N2C",-11.286176969510484],["[C@@H](COC(=O)",-11.286206479660931],["cc3)CC2)cc1",-11.286221858733729],["▁O=C(C1CCOCC1)N1",-11.2862288941337],["23)c1",-11.286284318163126],["CC[C@@H]1C2",-11.286424144481751],["C(F)(F)F)cc21",-11.286449938505667],["c2cccc(N(C)C)c2)",-11.286638768131375],["Nc1nccc(-c2c",-11.28670466350218],["c2c1C=CC(C)(C)O2",-11.286830395780964],["c3[nH]ccc23)c1",-11.286834435274454],["[n+](CC",-11.287048429011085],["c(Nc3ccccc3)",-11.287115798109348],["▁CSc1ncccc1",-11.287120313134755],["C(C)C)cn1",-11.287128362972265],["oc(-c2ccccc2)nc1",-11.287179426879504],[")NCCCc1ccccc1",-11.287242013617297],["NC(=O)CSc1nnc",-11.28730912621224],["c3ccc(C)nc3)",-11.287310605371417],["C(CN1CCCCC1)",-11.287370321192682],["▁CC1C(=O)N",-11.287419324730228],["▁COC(=O)c1c(C)n",-11.287480991610847],["[C@H](CF)",-11.287524866166796],["▁COC(=O)N1",-11.287588579727526],["c(O)nc3",-11.287739755259135],["c1cccc2c1OCCO2",-11.28781977475488],["▁CCC(C)O",-11.287852010381034],["CCNC3=O)",-11.287908941925782],["N(C)C3",-11.288057594915136],["cc2C#N)",-11.288155592999216],["▁Cn1nnc2c",-11.288227605223176],["/N=N/N(C)C",-11.288251271114191],["C1=Cc2ccccc2",-11.288254020378766],["▁C[C@H]1CN(CC",-11.288283988404295],["/C=C/C(=O)NO",-11.28851355274562],["(-c2ccccc2)on1",-11.28858301485874],["c2ccnn2C)",-11.288628696508692],["▁CC(C)Nc1nc(N",-11.288676640260276],["CCC(=O)N2CC",-11.28868777239321],["Cn2c(=O)oc3cc",-11.288736652744587],["/C(C)=N/O",-11.28879075570455],["▁Cc1cccc(NC(S)=N",-11.288797076733214],["▁COc1ccc(N(C)c2n",-11.288837242430926],["[C@@H](C(=O)NC",-11.288871685372657],["▁O=C(O)c1cccc2c1",-11.288895897705322],["c1c[nH]c(C(=O)NC",-11.288908038622775],["O2)cc(OC)c1OC",-11.288952614010798],["▁Cc1nn(C(C)",-11.289028672522594],["CN2CCNC(=O)C2C",-11.289035014449608],["c(-c3cnc",-11.289050691516056],["cc2C(N)=O)c1",-11.289073135183925],["▁Cc1c(N2CC",-11.289142709567972],["▁CCOC(=O)CN",-11.28935201994193],["N2CCN(c3ncccn3)",-11.289421959466218],["▁COC(=O)C(C)(C)",-11.289449825626903],["CC/C2=N\\N",-11.289452267434426],["▁Cc1ccn2",-11.289459902186138],["▁CCOC(=O)c1cnc2c",-11.289539766719027],["cc(OCCCN",-11.289619047249593],["[C@@]2(C)[C@@H]1",-11.28966647169882],[")-c1ccccc1",-11.289805840972573],["C(=O)NCC(C)C)",-11.289889196677253],["C4=C(",-11.28989877687956],["Cc4cccs4)",-11.289914302124153],["(NCc2ccccc2)",-11.290033896901368],["c3c(-c4ccccc4)c",-11.290082071988364],["▁C=CC(=O)Nc1cc",-11.290236888329002],["C/C(C)=N/NC(=O)",-11.290260207589402],["▁CCCC(CCC)C(=O)N",-11.29027841637529],["CC(c3ccccc3)=NN2",-11.290306002895989],["c2cn(-c3ccc",-11.290422009795709],["Sc2nnc(-c3ccco3)",-11.29044747892083],["N(c2ccc(F)cc2)",-11.29046125309739],["▁Nc1n[nH]c2n",-11.290635973892051],["▁CCc1cc(=O)oc2c",-11.290684414077628],["▁COc1ccc(Br)c(",-11.290762306052606],["C[C@@]3(C)O",-11.290834523072352],["▁Nc1nc2c",-11.290878872747442],["c3C2=O)cc1",-11.290937848524145],["N3CC(C)(CN(C1)C3",-11.29103195268507],["C1=C(C)CCCC1(C)C",-11.291037487013742],["Cc2c1ccc(O)c2",-11.291120527704187],["▁O=S(=O)(/C=C/",-11.29112456317135],["c[n+]1C",-11.291182138650164],["[s+]([O-])",-11.29119349533319],["cc(C(=O)/C=C/",-11.29122916835453],["2n(c1=O)",-11.291235957652242],["▁CN(C)/C=C/C(=O)",-11.291322106533531],["▁COc1ccc2c3c1OC1",-11.29138092860004],[")NCCc1ccc(Cl)cc1",-11.29140230911755],["▁CCCC1C",-11.291428798419794],["c1cccnc1)CC2",-11.291438986367956],["c2cccc(-c3ccc",-11.29171310664185],["c1ccc(C=O)cc1",-11.291735544902554],["c1nc(Cl)n",-11.29178014379618],["▁c1cnc2c(c1)",-11.29179154938823],["Cc2ccccc2)cn1",-11.291805923021103],["CCCCCN)",-11.291858460253504],["cc(C(C)C)c1",-11.29199194196578],["▁CCOc1ccc(/C=N/N",-11.29200815779835],["c1ccc(Cl)cc1)c1c",-11.292079726646564],["▁CN(C)c1nc(N",-11.292307114097737],["[n+]2C",-11.29233402264102],["c(-c3ccc(CO)cc3)",-11.292343547852326],["▁CC(C)Oc1ccc(C",-11.292659980123696],["2)CC(C)O1",-11.292677037052478],["2c(c1)OC(C)(C)",-11.292687782943764],["▁CCn1nc(-",-11.292854840814474],["C)cn1",-11.292913386864392],["nc2cc(Cl)ccc2c1O",-11.29297498539086],[")=C(\\C)",-11.293000907434038],["c3)n2n1",-11.29307469422821],["n(CC(C)C)c(=O)",-11.293125122293368],["CC(O)CC",-11.293130277679325],["CCn1c(=O)oc2cc",-11.293141925358364],["▁CC(C)CCCC(C)",-11.293175746100308],["c2c(Cl)ccc(Cl)c2",-11.293236549100849],["C1=Nc2ccc(Cl)cc2",-11.293287033143145],["▁CC/C(",-11.29340875687947],["▁CC(C)=CCOc1ccc(",-11.293437757618069],["c1c(O)c(=O)ccn1C",-11.293483322212452],["3c(c2c1)CCCC3",-11.293588660896429],["c(-c3nn",-11.293605867184723],["c1ccccc1OC(C)=O",-11.293616682190295],["▁Cn1ccc(C(=O)N",-11.29381626886068],["C2(CCCCC2)N1",-11.293941965154849],["c(NC(=O)c3cc",-11.2939614590572],["c3ncnn3",-11.294004906897673],["▁O=C(O)C(=O)O.O",-11.294032031455092],["COP(=O)(O)",-11.294223557448657],["[C@H]3CC[C@H](O",-11.29428086492746],["c(CO)c1O",-11.294405450378306],["c1ccccc1)N2",-11.294463323531104],["c1cc2ccccc2cn1",-11.294612002726586],["▁Cc1csc(SCC(=O)N",-11.29467980831911],["NCCCN(C)C)",-11.294709364497953],["C(=O)Nc3ccccc3F)",-11.294849131990588],["c2)C",-11.294900073030522],["C(=O)NC2CC(C)(C)",-11.294959721706627],["c3ccn(C",-11.29516720378553],["c1ccc2c(c1)sc1n",-11.295181035070335],["/C2=C/",-11.295194847952216],["/C=N/n1c(S)nnc1",-11.295323796461268],["N1CCN(C(=O)c2c",-11.295453328464127],["N(C)C)c1C(=O)",-11.29580137452463],["c1cn(C)nc1-",-11.295808853336396],["(-c2ccc(C#N)cc2)",-11.295848627308631],["▁CC1(O)C",-11.295857218820151],["▁Cc1cc(N2CCC(",-11.295945637272585],["▁CC[C@@]12CC",-11.295994414007453],["▁CCCCC1=C",-11.296042235858684],["nc2ncnn12",-11.296383556898084],["n2cnc3c(",-11.296438283634462],["c(N=O)",-11.296452266494368],["c3nc4c(cc3",-11.2965085156251],["c([125I])",-11.29653114943092],["nc(Cl)n1",-11.296667059332044],["cc(-c3ccc(O)cc3)",-11.296712746434045],["▁CCCCN(C)CC",-11.296781128748036],["▁O=C(CC1CCCC1)N",-11.296811392127802],["N1CCN(CC(O)",-11.296849010577192],["▁O=C(Cc1ccccc1F)",-11.296889231844752],["[C@H]3CC[C@]2(C)",-11.296937211431818],["C1C2CCC(O2)C1",-11.297004699997778],["▁Cc1cc[n+](C",-11.297024697533631],["NC(=O)Nc2ccccc2)",-11.297158907488129],["/C(=N\\N=C\\",-11.297177835103168],["CN1CCC(O)(",-11.297184330863391],["c2cc(O)ccc12",-11.29729474247855],["▁O=C(O)Cc1cc",-11.297311515360366],["CNc2ncnc3c2ncn3",-11.29738149661991],["▁O=C(CCc1nnc(",-11.297388895919967],["c1ncc(C)s1",-11.29747815271951],["CCNC(=O)c1ccc(",-11.297497280841688],["cc(C2",-11.297504479813986],["▁COc1ccc(CNCC",-11.297531403201493],["ccc1-c1nc2c",-11.297552730736788],["nc2[nH]cnc12",-11.297679083197526],["▁COc1cc(C(O)",-11.297703483457797],["c1nnc(-c2c",-11.297713061794983],["c3c(s",-11.297718057000129],["NC1=NCCCCC1",-11.297770337785677],["c3cc(NC(=O)",-11.29781298840244],["[nH]c3ccccc3c21",-11.297898724912352],["NC2(CCCC2)C1=O",-11.29792173160318],["[C@H](CS)",-11.297933148730351],["c3c[nH]cn3)",-11.297984016982948],["c1cc(N)ccc1",-11.298050546217931],["2)ccn1",-11.298093259262822],["▁O=C(O)CCCNC(=O)",-11.298408327590174],["C=C4C[C@@H](O)",-11.298417394070697],["▁CC(C)N1CCC(",-11.298459460822436],["c(CN2CCC(",-11.298513260639895],["nc2c2ccccc12",-11.298617067722995],["(Cc2ccc(Cl)cc2)",-11.298645303789858],["c(OC)c2)cc1",-11.298655708569212],["▁O=C(NO)[C@@H]1",-11.298746374616766],["[C@]2(O)CC",-11.2987985691697],["c1nc2c(cc1",-11.298902598073685],["N(C(C)=O)CC2",-11.299040033433656],["c(=S)n(C",-11.299044364371614],["3CCC(N)CC3)",-11.29910106451879],["=C4C",-11.299104933162967],["▁Cc1ccc(CN(C)",-11.299123511765346],["▁CCCCC(O)",-11.299192615870751],["▁O=c1[nH]cc(",-11.299250687886143],["▁Cc1ncsc1C",-11.299313666955538],["▁CO/N=C1/",-11.29945170702333],["▁COc1cc([C@H]2O",-11.299481079273852],["▁CCCCC(CC)CO",-11.299564226146956],["c3cnccn3)CC2)",-11.299657420223678],["OC(C)=O)c1",-11.29971531362794],["c3[nH]ccc23)CC1",-11.299786389848595],["[C@H]2Cc3c(",-11.299903003129018],["c1ccc(/C=C/c2n",-11.29998065785558],["CC(C)C)n1",-11.299991406892584],["c1cncc(Cl)c1",-11.30009960319324],["c1oc2ccccc2c1C",-11.300122658516404],["▁Fc1ccc(N2CCN(C",-11.30016375531187],["O[C@@H]2CCN(",-11.300205103273695],["▁O=C(NC1CCC1)",-11.300216634559575],["N(CC(O)",-11.300283824625309],["noc1C",-11.300648501286314],["▁CCOC(=O)Nc1ccc(",-11.300753947501487],["▁Cc1nc(N2CC",-11.300755410879155],["[C@](C)(C(=O)O)C",-11.300790342843484],["ccc(F)cc3)c2c1",-11.300862496358668],["OCO3)cc1",-11.300919835228996],["c3cccnc32)",-11.300923149133563],["/N=c1",-11.300972652758356],["CSc1nnc(N",-11.301061795848067],["c1occc1",-11.301110496678806],["n1cnc(S(=O)(=O)",-11.30113903031189],["nc(CN",-11.301269458369454],["CCCC[C@@H]2N1",-11.30140388600776],["▁Cc1c(Cc2ccccc2)",-11.30141524683911],["C[C@@H]1OC(=O)N2",-11.301473854635365],["c2ccco2)cc1OC",-11.301526540146202],["n3c(c",-11.30154768954365],["c2cc(Cl)ccc2O1",-11.301674366612176],["Nc1cc2[nH]nc(",-11.301735815033824],["C(C)(C)[C@@H]1CC",-11.301764795435735],["▁CC1CCc2c(",-11.302115438366137],["▁CC1=C(O)C(C)(C",-11.302180953204722],["[C@@H]2C[C@H](",-11.30220210219209],["c4c(C)c",-11.302254455293104],["c3ccc(C(C)(C)C)c",-11.302466978251456],["c3ccccc3nc-2",-11.3025481217644],["N(CCOC)C",-11.302585588158436],["N1C(C)=O",-11.302600271991473],["n(Cc2ccccc2)n1",-11.302634177676971],["/C=C\\C(=O)O",-11.302774398754106],["▁COCCNc1nc",-11.302803811060466],["▁CC(C)C[C@@H](",-11.302807379660887],["c2ccc3ccccc3c2O)",-11.302861403882376],["@](=O)(",-11.302864693477842],["C2CS",-11.302981942878136],["C2CCCCC2C1=O",-11.303166359170918],["3)nc(-c3cc",-11.303314628223523],["CP(=O)(O)C(O)",-11.30335675631863],["4)ncc23)cc",-11.303376725480298],["c1ccc(N)nc1",-11.3035050953125],["c(C(C)(C)C)cc1)",-11.303596854404011],["C(=O)N2CCCN(",-11.303603179127329],["C3)cc2)cc1",-11.303723365445329],["/C(=N\\NC(N)=S)",-11.303899440734138],["▁CC(=O)c1ccc(N2C",-11.30394136205986],["▁CC1CCCCN1C",-11.303972654184484],["c2cccnc2)s1",-11.304056201290043],["c23)cc1OC",-11.304279639406072],["c2ccc(C=O)cc2)",-11.304331967190658],["▁COCC(",-11.304409638171968],["▁COCCN(",-11.304455545929931],["▁N#CC1(NC(=O)",-11.304458630580797],["C(=O)NC2CCC",-11.304610891592723],["C(=O)NCCc1ccc(",-11.30468948128858],["-c2nnc(SCC(=O)O)",-11.304690707505369],["▁Cc1ccc(-c2nnc(",-11.304852463109926],["C1N2C",-11.304891879762112],["c(-c3ccccc3Cl)n",-11.305125616000158],["nc(-c3ccccc3)c2",-11.305149806602858],["▁CN1CCN(CC(=O)N",-11.30517033333576],["c2cccc(c2)",-11.305195366661067],["c2cc(Cl)ccc2o1",-11.305259282719843],["▁CCCCC(=O)O",-11.305413809035112],["▁O=C1C2C3C=CC(C",-11.305525264895952],["c2onc(C)c2",-11.305527131643268],["c3nc(C)c(C)",-11.305599272569909],["c2sc(S(N)(=O)=O)",-11.305646809469357],[")CCC4",-11.305677568385647],["nc13)",-11.30573508106822],["▁CC(C)n1ncc2c(",-11.305964125191842],["(C(=O)O)c(O)",-11.306034384144931],["c(-n2nc(C)cc2N",-11.306094371109126],[")C1=COCCO1",-11.30624637103827],["▁C[C@H]1[C@H]2C",-11.306378169001125],["n2)c2ccccc21",-11.3065115033164],["nc3ccccc3c2=O)c1",-11.306521430515668],["c1ccc(C2=NOC(",-11.306591071067556],["C[C@@]2(C)O",-11.306663071185612],["nc2ccc(Cl)cc2s1",-11.306666632069309],["c1ccc(OC(C)C)cc1",-11.306825617821117],["c(COC)",-11.306911605998543],["COc1ccc(/C=C/",-11.306932021184531],["▁O=c1nc2",-11.307084926927317],["[N+]1(C)C",-11.307134740966037],["cc2)nc2ccccc21",-11.30722842915683],["(-c4ccccc4",-11.307265260901382],["n[nH]c12",-11.307311755066667],["c1ccc(N2CCCC2)c(",-11.307353546468518],["[C@@H](O)[C@H](N",-11.307380099195711],["n3cnnc3)",-11.307445846041643],["C(=O)/C2=C/",-11.307466154180746],["N1CC[C@@H](",-11.307689326396352],["Cc1cn(S(=O)(=O)",-11.30775177350706],["▁CCNc1nc(N",-11.307988704847194],["▁COc1ccc(CNc2cc",-11.308092041691728],["C[N+](C)(C)",-11.30817935430352],["▁CC[C@H](N",-11.30823409328046],["C([3H])([3H])",-11.308273484280615],["▁N#C/C(=C(/O)",-11.308283576396327],["[S+]2[O-]",-11.308291946271805],["c1cc(C2CC2)on1",-11.308328303764576],["=C1/SCC(=O)N1",-11.308468864213658],["C5CCCCC5)",-11.308526243732022],["c3)cs2)cc1",-11.30853173807542],["▁CN(C)CCCN1",-11.308538952828023],["CC=C(c1ccccc1)",-11.308651595781214],["NC(=O)CCl)",-11.308685214007529],["N(O)C=O",-11.308694899282916],["[Si](C)(C)C",-11.308791322606464],["c(-c3ccccc3)nn12",-11.308915418991212],["N(C(=O)c1ccco1)",-11.308933838138026],["c2c(c1-",-11.309106310279391],["c3c2C)cc1",-11.309223514324447],["▁Cc1ccc2c(c1)N(",-11.309317374275544],["c3occc23)",-11.30932146873639],["c1ccc(OCC(=O)",-11.309360964885132],["c(OC(=O)N(C)C)",-11.30938705082097],["c1cccc(COc2ccc",-11.309423392998443],["▁Cc1nc2ncnn2c2c1",-11.30947135509533],["▁Nc1cc(O)nc(SC",-11.309497647578697],["c3ccccc3)CC2)s1",-11.309525496986344],["C(=O)NCC(=O)NC",-11.309658904951938],["Cl)c(C)cc1NC(=O)",-11.309687507383726],["CCN1CCCC1=O)",-11.30972101328903],["/C(=C\\c2ccco2)",-11.309797503987465],["c2c34",-11.309816781323292],["c2[nH]c(C)",-11.309832879890378],["c1oc(C(=O)O)cc1",-11.30987793552077],["CNC(=O)c3ccco3)",-11.309909142402296],["▁CCc1c(C(=O)",-11.3101135620041],["▁CSCC[C@H](N)",-11.310204816203305],["[C@H]2CNCCO2)cc1",-11.310430071330607],["c1ccc(Oc2ncccc2",-11.310479301734247],["c2c(C#N)cn",-11.310499698097487],["c2sn",-11.310514347970711],["OC1CN2CCC1CC2)",-11.3105382075204],["c(CCN)c",-11.310594517078536],[")NC1=C(C(=O)O)CC",-11.31062405502953],["c1cc(F)c(F)cc1Cl",-11.310629409412025],["nc(SCc2ccccc2)n1",-11.310681636256469],["C(=O)N3CCN(",-11.310694442544037],["nc3n",-11.310735346774791],["c(-c2cc(C(=O)O)n",-11.310759755281122],["cc(O)c2c1C",-11.310839619882405],["▁CC1=C(C(N)=O)C(",-11.310883153357558],["CN(Cc3ccoc3)C",-11.310898592181882],["NC2CC2)cc1-c1cc",-11.3109065573407],["c1nnn(C",-11.310936601007818],["c2c3c(ccc2c1)",-11.310985086924902],["SSS",-11.311208820774134],["(C(=O)O)cn1c23",-11.311274544430438],["C(=O)OCc3ccccc3)",-11.311296296858163],["▁O=C(N[C@H](C",-11.31130219052065],["c3nc4ccccc4n32)",-11.311414383667852],["c2nc3ccccn3c2",-11.31142032613307],["Cc2ccco2)CC1",-11.311442169478838],["oc(C",-11.311601366436689],["C2=Cc3ccccc3C",-11.311635601784731],["cc(O)c1OC",-11.311802015421373],["C(=O)C(Cl)=C",-11.31185778289204],["c(=O)oc3",-11.311862267783578],["c4ccsc4",-11.31211911177529],["c3ccccc3c2c1",-11.312184515640569],["c43)c2=O)cc1",-11.312257704314664],["cc21.Cl",-11.31226136040959],["nc(C)c3",-11.312281033603329],["5)nc4",-11.312323190204571],["▁C[N+]1(CC",-11.31238916386778],["S(C)(=O)=O)CC2)",-11.312449603572706],[")c1ccc(Br)s1",-11.3124521301602],["▁C#C[C@@]1(O)",-11.312526130375872],["c4nc5ccccc5",-11.312544518680738],["▁CC(=O)n1cc(",-11.312643532816027],["O)c(O)c1",-11.31265946698608],["c2[nH]c(=S)",-11.312660481065194],["c2cc(C)oc2C)",-11.312735723795091],["▁CCCCCCCC(=O)",-11.312759577445595],["[C@H](O)C[C@H]1C",-11.312803073215832],["c(-c2ccc(O)cc2)c",-11.312812638876329],["c(=O)[nH]c3c2)",-11.31286715283227],["c1cccc2cnccc12)",-11.312872128914355],["▁CC(=O)N1CCCC1",-11.31292884006294],["c1sc2c(c1C#N)CCC",-11.312949771647196],["n2[C@@H]1O[C@H]",-11.312952517138212],["c1ccc([C@@H]2",-11.313001099147446],["3]([O-])([O-])O",-11.313070379011345],["▁CC1(C)CC(=O)N(",-11.313089798316334],["n1-c1ccccc1F",-11.31312514923233],["CC[C@@]13C",-11.313181819503644],["c2nc(O)c3c",-11.313405570877652],["c2ccc(OC(=O)",-11.313555847751667],["▁C[C@](N)(C",-11.31362426837152],["c(C(=O)O)c2",-11.313738857440615],["▁Cc1cc(C)n2ncc(",-11.31375748067372],["COP(=O)([O-])OC",-11.313758285378796],["▁CCOC(=O)C1(CC",-11.313782534721714],["[nH]2)s1",-11.313854997177256],["oc13)",-11.31387948205466],["N2C(=O)/C(=C\\",-11.3139052941514],["c1nc(-c2cccs2)n",-11.314151853460343],["[C@@]23OO4",-11.314152557395756],["/C(=C/c2ccco2)",-11.314177997857074],[".[Cl-].[Cl-]",-11.314194949599289],["C(N)CC2",-11.314213404318792],["O)c(=O)n1",-11.314232217348827],["P(=O)(N",-11.314275608577812],["NC1(",-11.314338295746708],["(=O)n(-c2ccccc2)",-11.314364802162814],["▁Cc1cccc2c(=O)",-11.314424071669343],[")N1C(=O)CCC1=O",-11.314462147075924],["C(=O)N1C[C@H](",-11.314960258585549],["c1cc(Br)ccc1Cl",-11.315029193377988],["C3)nc21",-11.315138019951466],["O2)c(=O)n1",-11.315179785036616],["▁CCCN1CCCC(",-11.315268049630768],["c(C)n(-",-11.315341253862153],["N=C12",-11.315486787151624],["▁Cc1co",-11.315499521792624],["CN(Cc2ccco2)C",-11.315612622824222],["▁COCCN1CCN(C",-11.315804632559905],["N=C(S)N1CC",-11.315852053111463],["c(Oc3ccccc3)",-11.315917293907876],["nn2c(=O)cc(-c3cc",-11.31591833334365],["c2c[nH]cn2)C1",-11.315929006782032],["[C@@H]2[C@@H](O",-11.316027351488582],["-c3ccc(O)c(O)c3)",-11.316078737465244],["c2ccccc2Cl)no1",-11.316096378264856],["▁COc1cncc(",-11.316142550374936],["Nc1ccccc1F",-11.316155809016228],["▁N#Cc1nc(N",-11.31635897370289],["n(C)c(=O)n3C)c1",-11.31635909137275],["2cc(Cl)c(Cl)cc21",-11.316429609829498],["▁OC[C@@H]1C",-11.316441355931133],["C2CC3CC",-11.316469315717498],["▁COc1ccc2nc(-",-11.316478362632589],["c(Cl)c21",-11.316561952532366],["N(CCc2ccccc2)C",-11.316609033602717],["-c1cccc2ccccc12",-11.316776003544856],[")c1cncc(Br)c1",-11.316814368241484],["[n+]([O-])cc1",-11.316819194383957],["C(C)c3ccccc3)",-11.31689010753675],["c3[nH]2)cc1",-11.31708351253308],["c1cccc2c1C(=O)c1",-11.317099590524275],["c2cccc(O)c2)C1",-11.317137699382776],["▁COc1cc2c(cc1Cl)",-11.317144212872442],["▁O=c1cc(/C=C/",-11.31716101628122],["▁c1nc(CC",-11.317168849701453],["▁CCOC(=O)[C@H]1",-11.317462616982349],["▁N=C(N)c1ccc(C",-11.317534349963717],["▁c1ccc(S",-11.3176648556286],["[C@@H]1C/C=C\\CCC",-11.317729922010766],["c4ccc(F)cc4F)",-11.317730505882604],["cc2)cc1)C(=O)NO",-11.317919014995454],["C1COC(",-11.31792956150591],["c3c(c12)CCCC3",-11.317992116458882],["csc(-c2ccccc2)n1",-11.318163384464729],["c(C(=O)O)c3)",-11.318163627079883],["CN(Cc1ccco1)",-11.318235828205822],["c1ccc(OCCCCC",-11.318288452649949],[")Cc1ccco1",-11.318321438332047],["C[C@@H]1CN",-11.318361965319774],["/C=C2\\S",-11.318522176582404],["▁CN(C)CCCNc1",-11.318602024276949],["▁COc1ccc(CNc2n",-11.318689016494034],["(C)ccc2/C(=N/O)",-11.318821346742975],["CC[C@H]2C1",-11.318821727301842],["c2ccccn2)c",-11.31883115944802],["c1cc2c(c(=O)o1)",-11.31883219703392],["▁O=C1C2C",-11.318884148447903],["c2)c(F)c1",-11.318928046593712],["▁COc1ccc(C2O",-11.319003919555184],["▁N#C[C@H](C",-11.319062056378906],["c1cc(=O)c2ccccc2",-11.31908426979988],["CCN)c",-11.319254122286452],["CC(CO)(C",-11.319415177434692],["(-c4ccc(F)cc4)c3",-11.3194233588019],[")CC(=O)N2",-11.319442210925605],["CN1CCC[C@@H](",-11.319476081656775],["c2ccc(Cl)cc2N1",-11.31952503308516],["cc(=O)n1C",-11.319557018894088],["c2cc(CC)",-11.3196283087244],["cc2)c1Cl",-11.31963117762642],[")NCCc1ccc(F)cc1",-11.319664023293072],["▁NCc1cc",-11.319786962407946],["2c1[nH]c1ccccc21",-11.319858749841366],["c2nc3ncccc3",-11.319972915895107],["C3CC3)cc2)cc1",-11.319977993308648],["c1ccc3c(c1)",-11.319982592030364],["[C@@H]3CO",-11.32015878373339],["1CCc2c([nH]c3cc",-11.320175583891576],["C(=O)Cn2cn",-11.320336170281852],["N2CCCC2C(=O)N",-11.320376225723123],["▁C=CCn1cc(",-11.320456220394306],["C[C@@]12O",-11.32045771060593],["c2ccc(CN3CC",-11.32045997617095],["2C3CCC2C",-11.32047925909485],["c2ccc(C)cn2)",-11.320689034569387],["▁CN1C(=O)[C@@H](",-11.32085973056656],["/C=C/[C@H]1[C@H]",-11.320974385670304],[")C1CCOCC1",-11.321058962678888],["4)OCO3",-11.32124165865251],["C3)C2)c1",-11.321258174442164],["c1cnc2[nH]c",-11.321368538355316],["c(O)c1-c1ccccc1",-11.321428798604405],["c2nc3nonc3nc2",-11.32143861694017],["N1c2ccccc2O",-11.321537490243138],["c2ccc(Br)cc2c1",-11.321551612181295],["▁OC[C@@H]1O",-11.321601916058157],["[C@@]13CCCC",-11.321707670642825],["n3c2n1",-11.321714075430432],["▁CN(C)c1ccccc1",-11.321785534153127],["CSc1nnc2ccccn12",-11.321828249763866],["CCN2C1=O",-11.32183051674982],["nc2c1CCC2",-11.321837968803596],["c(C)o2)c1",-11.32191857753052],["(Nc2ccc",-11.322001380889546],["CC[C@]3(C)[C@H]2",-11.322009067376982],["▁Cc1cccc(N(C)",-11.3220966370188],["▁Cc1nc2ccccc2n1",-11.322167508141169],["▁CN(N)",-11.322171466679412],["C(OC)=C",-11.322197511247268],["c2nccn2",-11.322245078957188],["[C@H]2O)c(=O)n1",-11.32230045696368],["▁Nc1nccc(-",-11.322383217361384],["▁CNC(C)",-11.322537063331929],["NC(C(=O)O)C",-11.32258685081696],["c(-c2cccc(Br)c2)",-11.32263021482097],["[C@H]3c4ccccc4C",-11.322705334028594],["▁CN1CCN(c2ccc(N",-11.322730051013735],["c(-c4cccc(F)c4)",-11.323066986174268],["=O)cc1",-11.323282935737051],["c(-c3ccc(C)o3)",-11.323349938061432],["▁Cc1cccc(N2C(=O)",-11.323384299589176],["-c3cccnc3)",-11.323445847005036],["cc13)C",-11.323591073776718],["C(=O)/C1=N/N",-11.323699655738949],["c3cc(OC)ccc3OC)",-11.32374680483549],["c3c2[nH]c2ccc",-11.323758070142816],["NCC1CC1",-11.323982450121154],["C(C)C)ccc1O",-11.324103689248757],["[C@@H](C(N)=O)",-11.32423382605574],["c2nc3ccsc3",-11.324340604686336],["S/C(=N/",-11.324384677662444],[")NCc1ccccc1F",-11.324449785922974],["▁Clc1cccc2c1",-11.324460163535017],["▁S=C(Nc1ccccc1)N",-11.32449690537342],["cc1)(C(=O)NO)",-11.324515967347802],["▁OCC(CO)",-11.324588962186771],["c(/C=N/NC(N)=S)",-11.324592968885495],["Nc2ncnc3sc",-11.3246943511857],["c1ccc(CC(C)C)cc1",-11.324733346607022],["c1[nH]c(C)c(",-11.32473760638452],["c3oc4ccccc4",-11.324832523220651],["c2nc[nH]c(=O)c12",-11.32484579399597],["c2cccc(C)c2)CC1",-11.324916456320324],["1CCN(C(c2ccccc2)",-11.325073991239591],["▁O=c1cc(-c2cc",-11.32512425758323],["C4C5C",-11.325181695586467],["cc2)nc1C",-11.325199716901466],["Cc1c(C)[nH]c(=O)",-11.325225144863612],["[C@H]([C@H](O)",-11.325291517249926],["▁CC(C)[C@@H](C",-11.325338144285636],["c3nonc23)cc1",-11.325369384487391],["[C@H]1[C@H]2",-11.325495450584857],["[C@H]4C[C@@H](O)",-11.325627039824075],["C2CC2)(C(F)(F)F)",-11.325674000095873],["▁N/C(C",-11.325732985198254],["S(=O)(=O)[C@H]12",-11.325768161216589],["CN(CC(=O)O)C",-11.325798836669623],["/C(O)=C2\\C(=O)C",-11.325817021693188],["▁O=c1nc2n(",-11.325880861909502],["▁Cn1cc2c(nc(N",-11.326055638776449],["CSc1nnnn1C",-11.326129604854652],["▁NCc1ccc(-",-11.32615040098126],["C[C@H]3O)",-11.3261522745429],["C[C@@H]32)c1",-11.326182528752389],["C#CCCC",-11.32627889693173],["▁O=C(Nc1nncs1)",-11.326364777835982],["c2[nH]c(C(=O)N",-11.326455576925746],["cn2)s1",-11.326457126741111],["n2)c(C)n1",-11.326635435352408],["CC1(C)O",-11.326649552916995],["c1sc(-c2ccc",-11.326672862584818],["n2cc(C(N)=O)",-11.326709216932104],["▁CN(C)c1cc[n+](C",-11.32700745704812],["CCS(C)(=O)=O)",-11.327186607066682],["c1cccc2c(=O)",-11.327296997556507],["▁Cc1nc2c(c(N",-11.327353486145611],["2CCCc3ccccc32)c1",-11.3274962239914],["c(-c4ccccc4)no3)",-11.327559025847837],["C(=O)c1c(C)c",-11.327615360895717],["]4(C)[C@@]3(F)",-11.327765800862734],["nn2c2ccccc12",-11.327832353340488],["(-c2ccccc2)nc2c",-11.32796441120525],["NC(=O)Cc2ccccc2)",-11.328038358130208],["@H]2CC[C@H]1C2",-11.32805185602923],["/C(O)=C/",-11.32806792438786],["c(C#N)c(C#N)",-11.328097168936363],["c(=O)oc3c2)cc1",-11.328135937859027],["▁C=Cc1c",-11.328148406437624],["n3ccnc23)",-11.328226564414605],["c(C(=O)OC)c1",-11.32825036893512],["n2c(-c3cc",-11.328308516308216],["Oc1cc(OC)c2c(=O)",-11.32833093009561],["▁Cl.N[C@@H](C",-11.328376247388992],["c3cc(Br)c",-11.328474283530433],["c2nc(COc3ccccc3)",-11.328677313398678],["n(C)n2)",-11.32876030115156],["(OC(F)(F)F)ccc21",-11.328770580458594],["c(S(N)(=O)=O)c1",-11.32879884247486],["[C@@H]3CCCNC3)",-11.328813499496984],["C(=O)COc3ccccc3)",-11.328876921695365],["▁C=C(CN",-11.328881579274665],["SC2)c1",-11.32896510501925],["CO)O[C@@H](n2cc",-11.32905782225303],["c1cccnn1",-11.329069449141166],["Cc1ccc(O)cc13",-11.329106099716787],["c2cc(C3CC3)n",-11.329132300520593],["C)cc1Cl",-11.329137475529052],["2)C(=O)N1",-11.329147637748342],["[C@@]2(O",-11.329391253687172],["C23CCC",-11.32947105095603],["3CCC4(CC3)OCCO4)",-11.329518636829626],["c3)ccc2n1",-11.329548952364382],["c1ccc(F)cc1)N1CC",-11.329594211751292],["s2)cc1Cl",-11.329636556665497],["C(=O)NCCNC(=O)",-11.32964202140382],["▁Cc1sc(N",-11.329835841294589],["c2nc3cc(C)ccc3",-11.32991250365824],["C2CCC3",-11.33023454029373],["c(NCCN3CCOCC3)",-11.330238790589718],["CC2(C)O",-11.330257000846672],[")NCC2",-11.330364466412966],["=N\\N",-11.330401457951847],["▁COCCN=C(S)N",-11.330442098389808],["c1cc(C)ccn1",-11.330454577449562],["nc(N/N=C/",-11.330511326142611],["c(F)cc1Cl",-11.330563845291955],["([2H])O",-11.330706350842007],["C2=",-11.330738488741217],["cc(N2CCOCC2)",-11.330745144552967],["c2ccccc2C[C@H]1",-11.33080763681833],["▁COC(=O)C(NC(=O)",-11.330882499392244],["▁COc1cc2c(N",-11.33089139558115],[")c1nnn[nH]1",-11.330899263507655],["c2cccc(-c3n",-11.330914857316984],["c1-c1nc2ccccc2s1",-11.330953420267967],["▁FC(F)(F)Oc1ccc",-11.331003574447806],["▁CC(C)=CCc1cc(",-11.331064117517183],["c4ccoc4)",-11.331125837613977],["▁CC(=O)c1cccc(-",-11.331169999364011],["▁NC(=O)c1cc2c(",-11.331187018698078],["nnn1Cc1ccccc1",-11.331199455624084],["▁CC1=C[C@H]2",-11.331214160498243],["3c4c(cccc4",-11.331300749703193],["ccc2O)",-11.331363585116812],["c1ccc(C#Cc2cnc(N",-11.331372431969063],[")N1CC[C@]2(CC",-11.33142590131358],["C1CCC(C)CC1",-11.331426667006127],["c1ccc(Br)o1)",-11.331475045838342],["c1nc(-c2c[nH]",-11.331695005656098],["/C=C(\\c1ccccc1)",-11.331706595232198],["N(Cc1ccoc1)",-11.331808982499773],["COC(C)(C)C3",-11.33184430245242],["▁COCCn1c(C)cc(",-11.331911994671618],["(-c3cccc(Cl)c3)n",-11.331944330459912],["c3c[nH]c4cc",-11.33196305256271],["c(O)c(C(=O)",-11.331988192016892],["-n2cnnn2)",-11.332008735263546],["c3ccc(Cl)cc3)o2)",-11.332030818732676],["c1cccc(Cl)n1",-11.332062967500864],["=C2C",-11.332148951244127],["NCc1ccc(F)cc1",-11.332172751782696],["c3n2CCC3)cc1",-11.332176729781178],["O3)c2n1",-11.33227519667539],["CC3)nc2c1",-11.33233482352681],["nc2C)c1",-11.332518851906194],["c(-c2nnc3sc(",-11.332742991937366],["3CO",-11.332791967476368],["(/C=C\\",-11.332809577665827],["c1ccccc1)N1C(=O)",-11.332835967891995],["c1ccc(Cl)c(C)c1",-11.332847845557636],["C3=O)CC1",-11.332852149101724],["[C@H](CCSC)N",-11.332859015066589],["-c2ccc3ccccc3c2)",-11.332985811605958],["CCCC3)c1",-11.333115375481016],["32)cc1",-11.333146127393212],["c1cccc(C(C)=O)c1",-11.333193114871252],["CNC1CC",-11.333205423683903],["ncn12",-11.333246019949073],["c(-c4ccccn4)n3)",-11.333249451089468],["n3cc(C",-11.333340614495716],["▁CCn1c(C)nc2cc(",-11.333384226556117],["[N-]S(=O)(=O)",-11.333390953267449],["-c1ccc2ncnc(NC",-11.33345928878259],["Nc1ncnc2[nH]",-11.333468441653476],["(O)c2c(c1)/C=C/C",-11.33355803462607],["c1cc(S(N)(=O)=O)",-11.33362109404661],["▁OC1(c2ccccc2)",-11.333700037983151],["CN(Cc2cccnc2)C",-11.333892265681971],["c2ccc[nH]c-2n1",-11.33389543357876],["▁Nc1s",-11.33400006050147],["c1ccc(OC)nc1",-11.334019510965334],["c2ccc(N(C)C)",-11.334221878320232],["▁CCOc1ccc(-c2nn",-11.33423140082359],["COCC(F)(F)F)",-11.334244846031527],["c(C)c(Cl)",-11.334246549008425],["NC1=NC(=O)C",-11.334290240054669],["Cn1cc(-",-11.3343800319122],["2)[C@H]1",-11.3344486315045],["▁CCOC(=O)c1c[nH]",-11.33450919700417],["▁CC(C)CCN1C",-11.334509282217374],["cc3C2=O)cc1",-11.334726416331108],["▁CCC(C)c1ccc(",-11.33481944838362],["CSc2nnnn2-c2ccc",-11.334876433129663],["CCCCOc1ccccc1",-11.334903300093076],["c(-c2cccc(F)c2)n",-11.33492002633416],["C[C@H]2O1",-11.3349469195832],["c2ccccc2)c1Cl",-11.33498835699632],["▁CCc1nc2ccccc2n1",-11.335029758107254],["=C(c2ccc(O)cc2)",-11.33503772901874],["▁CN(Cc1cnn(C)c1)",-11.335313594990277],["c4c(N)c3C(C1)C2",-11.335380131722385],["cncc2C1",-11.33547728952501],["C2CCCNC2)cc1",-11.335540005157764],["▁CCCCCC(C)N",-11.3355918875778],["c1ccc(O)c(OC)c1)",-11.33571229170413],["▁CN(N=O)",-11.335727868464051],["▁Cc1nc(C#Cc2cc",-11.335808393629184],["▁COc1cc(C)nc(",-11.335825291412796],["c3ncccc3C)",-11.335933515447085],["c1ccccn1)c1ccc(",-11.336101504457606],["▁Brc1ccc(-c2n",-11.336146743285234],["C1=CCCN(C)C1",-11.3361766230118],["cc(C(C)C)c1O",-11.336178126007642],["-c4ccc(F)cc4)",-11.336319359596851],["(C(=O)NN)",-11.336340624435636],["c2nnn(",-11.336415473448522],["1c2ccccc2C(=O)N1",-11.33645756454267],["▁CNC1CC",-11.336610553882316],["2CCCC[C@@H]21",-11.336684069862931],["[n+]1ccc2c(c1)",-11.337007540876831],["n2cc(-c3ccc",-11.33703942651874],["(-c3nc4ccccc4s3)",-11.337056118420264],["c3ncn(C",-11.337091072037516],["C12C=C",-11.337167297279253],["Cc3ccccc3)C2)cc1",-11.337200807484802],["▁Cc1cccc(Nc2n",-11.337265206770828],["c2n(",-11.337309717032124],["C2=C(O)C",-11.337361542972182],["CSc2nc(O)",-11.337386782922618],["▁C=CCOc1c",-11.337411011122397],["c(-c3cn",-11.33743648857998],["c2ccc(OC)nc2)",-11.337524552269585],["▁Cc1[nH]nc2c1",-11.337576287066716],["▁Cc1cn2c(",-11.337593728724762],["▁CN(C)Cc1cc(",-11.337666932671258],["CNc3ncccn3)",-11.33770676936294],["C(C)(c1ccccc1)",-11.337835795986177],["Cc1cnc(N)nc1N",-11.337876367504922],["(CC(=O)O)C(=O)O",-11.338107572316936],["CC(C)(C)O3",-11.338147210269083],["/C(=N\\O)c1ccc(O",-11.338203881185226],["▁CCc1ccc(O)c(",-11.338260493748336],["▁COc1cc(C)ccc1OC",-11.338364611875068],["C(=O)N1CCSC1",-11.33836556713812],["▁c1ccc(-c2nnc(",-11.338393962622538],["c4n3)",-11.33854729835663],["c2n[nH]c(=O)",-11.33864510170353],["nc(N)n2",-11.338735573635612],["c2nnc(S)",-11.338742822861544],["n2c(=O)cc",-11.338781187702056],["3)OCO5)",-11.338845860459507],["CCC(C)(C)[C@@H]1",-11.33885708738681],["c2)CCOCC1",-11.33899646754454],["NC(=O)C1CCCO1",-11.33909222607426],["c2)=NO1",-11.33913516829178],["C2CCCN2)",-11.339144208506102],["▁CN(c1nc",-11.339184564236932],["c4occc4",-11.339195736465973],["c3ccccc3)nn2)cc1",-11.3393553071172],["[nH]c-2n1",-11.339356552430692],["cc(-c2n[nH]c3cc",-11.339421405952276],["C3)CC2)",-11.33942376245123],["▁COc1cccc2c1O",-11.339502800894747],["N2CCC3(CC2)CC(",-11.339629199583472],["▁COc1ccc(/C=C2\\S",-11.33984100607827],["▁CC(C)(CN)",-11.339864429704566],["CC2CCC1",-11.33996059155188],["c2cccc(O)c2)CC1",-11.339963027261014],["CCn2c",-11.340036022600868],["c2ccc(O)cc2)C1",-11.340221378579937],["c2cc(O)ccc2O)",-11.340230387262327],["C1Nc2ccccc2",-11.340250473257566],["c2ccccc2)CCC1=O",-11.340258858568024],["C[C@@H]2C[C@@H](",-11.340283522428251],["c1cc(OC)c2c(c1)",-11.340379734443346],["cc(-n2cc(-c3ccc",-11.3405877328689],["C(C)c2ccccc2)cc1",-11.340590149465555],["▁Clc1cccc(-c2n",-11.340630783084958],["C[C@@H]1C(=O)N",-11.340759433308738],["c2ccccn2)cc1OC",-11.340794399013191],["c1ccc2c(=O)n(C",-11.340847098294196],["n2c(-c3ccccc3)",-11.34103442634158],["c(-c2ccccc2)sc1N",-11.341039536903496],["c1cc(-c2ccncc2)",-11.341060968107676],["NC2=C(Cl)C(=O)",-11.341105969482792],["c2cc[nH]c2",-11.34116926039086],["C1C=C(",-11.341360253440158],["c3ncnc(N)c3",-11.341385195169222],["▁CCCCn1nc(",-11.341423576478489],["▁Fc1ccc(F)c(",-11.341634543043025],["c2ccc(CC)cc2)",-11.341723800841136],["(-c3ccncc3)n",-11.34186408002244],["2nc(O)c(O)nc2cc1",-11.34190564007674],["c(-c2cnc3[nH]cc",-11.341980106380309],["c2ncccc2C1",-11.342205598120485],["cnc2cc1OC",-11.342513476709406],["C1CCN(Cc2ccc",-11.3426492330383],["=N/O)",-11.342736912910272],["OC[C@H]2CN(",-11.342802730423344],["n3c2)cc1",-11.34282818691219],["N1CCOC(C",-11.342922158558004],["c2ccc(O)cc2O1",-11.343053243364029],["C3)C2)nc1",-11.343257898831496],["Nc2ncnc3ccccc23)",-11.34331876846752],["▁CON=C(",-11.343478951091228],["C3CCCCC3)n2)cc1",-11.34348194369111],["c(C(Nc2ccccn2)",-11.343547520408274],["nc3ccccc3c(=O)n2",-11.343574505273647],["2c(c(N)n1)N=C(",-11.343675533509115],["NC(=O)[C@H]1N[C@",-11.343685629987633],["▁COc1c(OC)c",-11.343702360731433],["C1=C/C(=C\\",-11.343714480754404],["c4c(cnn4",-11.343730601086849],["▁Cc1ccc(CN2C(=O)",-11.343756805830749],["C2(C#N)CCCCC2)",-11.343779854897113],["c2nccc(N",-11.343783968524152],["c2cc3ccccc3cc12",-11.343835373969483],["▁CCNC(=O)Nc1cc",-11.343835558001215],["/C=C2\\SC(=O)NC2=",-11.343835973737152],["c1cccc(F)c1)N1CC",-11.343866759524264],["c[n+]12",-11.343938579110755],["c2[nH]c(-c3c",-11.344001583742784],["2Cc3ccncc3C2)cc1",-11.344016296737571],["▁Sc1nnc(-c2ccc",-11.344102130181334],["/C(C#N)=C(\\O)",-11.344139218389223],["c1nn(C(=O)",-11.34427395563318],["▁CCC(=O)C(CCCCCC",-11.344332216301222],["c(O)cc12",-11.344338103927416],["nc2cnc(O",-11.344361356161],["OC[C@H]1O[C@@H](",-11.34454407770428],["SC2=S)cc1",-11.344596630885722],["3CCC(C",-11.34462762578632],["▁CC(C)n1ccnc1",-11.344667308987576],["▁Cc1nnc2sc(",-11.344785668913252],["C1(O)CCN(",-11.344896368754046],["▁O=C(CSc1ncccn1)",-11.344896728607395],["cc(C(F)(F)F)n2n1",-11.344923849153496],["CCNc1n",-11.34496885961326],["▁CCSc1",-11.344983255215368],["[C@H]3CCCO3)",-11.345023960081727],["cc(-n3cnnn3)c2)",-11.34507644485494],["Nc2nncc3ccccc23)",-11.345105415147382],["=C(S)N",-11.345223254551888],["CN2c3ccccc3S",-11.34526539201979],["CSc1cc",-11.345282711962392],["(C(C)C)nc(C(C)C)",-11.345316863959832],["-c2ccccc2F)cc1",-11.34540993792394],["s/c(=N/",-11.345431057422232],["▁CNc1c",-11.345439314149523],["[C@@H](CNC",-11.345498271455927],["▁Clc1cccc(O",-11.345513261844667],["c4ccc(O)cc4c3",-11.34564282256474],["C(=O)OC2)cc1",-11.345705766997856],["1)CCN3C(=O)CC2",-11.345752765823685],["c1ccc(C(=O)O)o1",-11.345821590850871],["c(N3CCSCC3)",-11.345851854036994],["c1OC(C)=O",-11.345892073244578],["nnc(-c2cccs2)o1",-11.345907304611186],["▁Cn1nc(CC(=O)N",-11.34599868141252],["▁CCCNc1nc",-11.346003984830752],["c1ccncn1)",-11.346043848400772],["N1C(=O)c1ccccc1",-11.3461249492948],["▁CC1CCc2n",-11.346364025100756],["Cc1nn(C)c2c1",-11.34647983878294],["▁COc1ccc(C(C)N",-11.346486942185953],["cc(P(=O)(O)O)o1",-11.34656423803405],["c1ccc2ncccc2c1)",-11.346566716748718],["C1=C(Br)",-11.346581283738995],["C3C2",-11.346611393169225],["3CCSCC3)",-11.346711846270091],["▁CCCNS(=O)(=O)",-11.346734722151751],["(C3CC3)[nH]n2)",-11.346734830639075],["▁COC(=O)C1(C",-11.346812324338616],["CCNCCCN",-11.34681941456665],["▁O=Cc1ccc(OC",-11.346898324969438],["C2=NCCCN2)",-11.346906914783538],["N1CC[C@H](",-11.34706792483114],["CCOCCOCC",-11.34708483931311],["▁CCOC(=O)Cc1n",-11.347125113490414],["(C)cc(C)",-11.347212390437628],["nc(-c2cccnc2)o1",-11.347221570187738],["▁C=C1CCC[C@]2(C)",-11.34722908674875],["cc2cn1)C1CC",-11.347264543874395],["Cn2c1nc1ccccc12",-11.347330015221502],["(-c2cccc(Cl)c2)n",-11.347454011365889],["ccc2C)cc1",-11.347520710545997],["c2ccc(N)nc2)",-11.347533200551316],["nc(C#N)n1",-11.34771411241016],["nc2C#N)cc1",-11.347769942209212],["CC[C@H]2CN1",-11.347779023318155],["cc(-c3cccc(O)c3)",-11.347783104904426],["▁CC(C)CC(N)",-11.347953828951631],["C(=O)NC(CC(=O)O)",-11.34797537258433],["▁CCCCOc1ccccc1",-11.34799992807777],["cc2c1OCCO2",-11.348048019219764],["c1cc(-c2ccco2)",-11.348105999662902],["▁O=C(c1ccc(O",-11.34812886301977],["NC(=O)c2cccs2)c1",-11.348303775882869],["/C(=N\\NC(=S)N",-11.348331919051958],["(=O)oc3ccccc3c21",-11.348334262951932],["n1nc(-c2cccnc2)",-11.348372716460538],["c2ccoc2)cc1",-11.348410222990148],["▁NC(=O)c1cccc2c1",-11.348415108144778],["Cc2cnc3nc(N)",-11.348446907191072],["COc1ccccc1-c1n",-11.348457834082923],["▁Cc1ccc(Cl)cc1-",-11.348502028730252],["/C=C(C)/C=C/C",-11.34862014050045],["CCCCCCCCO",-11.34873389729659],["C2(C(=O)O)C",-11.348774923507037],["▁Oc1ccc2c(c1)O",-11.348913304044585],["(N(C)C)cc2)cc1",-11.349028673663142],["CCn2cccn2)",-11.349113079168422],["c(F)cc23)",-11.349129001591976],["c1c2c(nn1-c1ccc",-11.34923306196366],["c4c(F)cccc4",-11.349235082075598],["cnc2s1",-11.349247375583015],["▁CCCCCC(=O)O",-11.34927903574075],["c(NCc3ccco3)",-11.349341216330831],["▁COc1cc(/C=C2\\S",-11.349371903647125],["[C@@H]1CCCO",-11.349378480683937],["c(C(N)=O)c(N",-11.349381629763071],["c(O)cc3",-11.34950693563952],["C(=O)NC3CCCCCC3)",-11.34953077259057],["▁Cc1cccc(C)c1O",-11.349536428817716],["▁COP(=O)(C",-11.3495627096772],["c2)cnc1N",-11.349594196129235],["[C@H]3O[C@H](C",-11.349619635185665],["[C@H]1CCCNC1",-11.34977063854993],["C[C@H]2C(=O)N",-11.34987271934887],["c1cc2ccccc2nc1O)",-11.349901980296856],["▁C=C1C[C@@]23CC",-11.350054936570876],["c1nnc2ccccn12",-11.350084007705764],["O)N2C(=O)[C@@H](",-11.35008653274578],["cnc2c(Cl)ncnc21",-11.350180242623434],["Oc2ccc(C#N)cc2",-11.350315932792023],["c2c(=O)cc(-c3cc",-11.350505251952208],["▁c1cc(OC",-11.35057388565367],["▁CCc1nnc(N",-11.350696545478424],["▁CN1CC[C@]23c4c",-11.350697476210852],["c1nc2c(o1)",-11.35078040390838],["c2nc(-c3cccs3)c",-11.350828980491508],["c2ccc(-n3",-11.350854537548829],["=C(C)/C(=C(/O)OC",-11.350916283393971],["[C@@](O)(CO)",-11.351059814921562],["C2CCCN2S(=O)(=O)",-11.351091208210018],["N2CCN(c3n",-11.351143107692131],["▁c1ccc(-c2ccccc2",-11.351190781230628],["c(-c4ccc(C)cc4)",-11.351233954130509],["F)CC1",-11.351244401750971],["▁Cc1nc(N2CCN(",-11.351364010042992],["c1ccc2c(c1)C(O)",-11.351375663797407],["/C(N)=N/O)",-11.35138924543936],["OCC(F)(F)F",-11.35139634094944],["c(NC(=N)N)cc3)",-11.351411930186458],["▁NC(=O)CS",-11.351555533944753],["▁Cc1nc2cc(N",-11.351604312171943],["(-c2ccc(F)cc2)n1",-11.351665270040902],["▁Cn1cnc2c(N",-11.351683139435082],["c2c(NCc3ccccc3)n",-11.351724460748326],["(N2CCN(",-11.35175394797488],["oc1-",-11.351786638690966],["c(C(=O)O)c1C",-11.352010608907218],["CCCO)cc1",-11.352074445218832],["▁Cc1ccc(-c2csc(",-11.352309626268765],["▁Cc1cccc(-c2ccc(",-11.352361649050284],["c1ncccc1C",-11.35239197657005],["▁Cl.O=c1",-11.352393462020231],["▁Oc1c(",-11.352399088906008],["c3ccccc3C2C1",-11.352414049466724],["NC(=S)N/N=C1\\",-11.35244279885967],["C2)c(O)c1",-11.352494008720363],["[C@@H]2c3ccccc3C",-11.352525219217206],["n1ccnc1-",-11.352531816520358],["S/C1=N\\c1ccccc1",-11.352593208043016],["▁CN(C)CCNc1c",-11.352620237064569],["c2c3c(ccc12)",-11.352641224494477],["C[C@@H](N)C2)n",-11.352671099284136],["Cn1nnc2c",-11.352692875757365],["CN(C1CCCCC1)",-11.352728304905751],["[C@H]2CCN(C(=O)",-11.3527443858486],["N(CCC#N)C(=O)",-11.352773642389405],["c1ccc2oc(C",-11.35281227400456],["c2c(O)c3ccccc3",-11.352920622852483],["NCc2c",-11.35292552769156],["nc2-c2ccncc2)cc1",-11.353045790696576],["▁COC(CNC(=O)",-11.353148379332673],["c2nc(O)cc(",-11.353159589590591],["n2)cs1",-11.353196430761312],["▁CCN(CC)CCn1",-11.353209969007036],["c1cn2ccccc2n1",-11.353243598153986],["▁N[C@H](C(=O)N1C",-11.353275651384724],["c1ccc(-c2c[nH]c(",-11.353277700081383],["▁CC(C)(C)C1=NN(",-11.35336290713739],["c1ccc(/N=C/",-11.353420692037083],["cn4C3)",-11.353485159359348],["c2cc3ccccc3o2)c1",-11.353590141963542],["C(=O)Nc1ccccc12",-11.353598143505751],["C2=Nc3ccccc3N",-11.353667218055511],["-c1csc(",-11.353679066413129],["▁CCc1ccc(CNC(=O)",-11.35369361997069],["▁COc1cc(C=O)ccc1",-11.353708340674242],["▁Cl.Clc1cc",-11.353710111362671],["(=O)C2CCC(=O)N(C",-11.353716910186304],["CCC3)CC1",-11.353976659228987],["▁Cc1ccccc1S",-11.354095560088297],["▁Cc1cc(CC",-11.354101269822443],["2CCN(CCc3ccccc3)",-11.354177087665535],["(-c4ccccc4)c",-11.354194928765244],["n1cnc2c",-11.354206704634263],["c1c(O)c(O)c",-11.35425825004003],["s2)ccc1O",-11.354267385090637],["▁O=C(CC12CC3CC(C",-11.35429084127178],["c1cnc2ccccc2c1)",-11.354318891140244],["n3cc(-c4ccccc4)n",-11.354438094746722],["n2C)C1",-11.354448031199553],["S(C)(=O)=O)cc2)",-11.35454725172323],["C1CCCN(C(=O)CC",-11.35474884721526],["(O)cc(O)c(Cl)c1C",-11.354769107889764],["▁CCn1ccc(",-11.354772562877825],["nc(C(Cl)(Cl)Cl)n",-11.354863457865978],["▁C=C(CO)",-11.354883409381104],["▁Cc1ccc(C(=O)CS",-11.354964842047163],["c(=O)n(C)c(=O)n3",-11.355034397464593],["c2ccc(-n3cncn3)",-11.355094177524666],["C(C)(C)O3)",-11.355241266461784],["CC)c1=O",-11.355257259537014],["N(C)C)c1C",-11.355269638393136],["c3cccnc3)c2c1",-11.355314858861066],["OC1CN2CCC1CC2",-11.35541466311114],["▁O=C(NC(=S)N1CC",-11.355486588354264],["[C@H](O)C[C@@H]1",-11.35555579103201],["cc2C)n1",-11.355707820425266],["N1CC=CC1",-11.355833465722846],["C[C@@H]2C3(C)C)",-11.356384538341803],["[C@H]3CN(C",-11.356387638340989],["c(Cl)c2)c1",-11.35650438299504],["NCc2cccnc2)cc1",-11.356557522745344],["c2ccc(Cl)cn2)cc1",-11.356596430898191],["▁C=C(C)[C@H]1CC",-11.35675224672515],["Cc1ccccc1C2",-11.356772803897474],["c3C2)nc1",-11.356799924619656],["▁COC(OC)",-11.356839441632388],["▁CC1(C(=O)NC",-11.356890012001823],["▁c1cncc(CN",-11.356900027927349],["cc2)c2ccccc21",-11.356904310384351],["c2cccc(O)c2n1",-11.35694748845416],["▁N#CCSc1n",-11.356977958547509],["▁COc1ccc(-n2nn",-11.357101429171331],["c2-c2ccncc2)",-11.35732607376291],["▁NCCCC[C@H](N)",-11.357476360734504],["cn2)nc1",-11.357573880953694],["=NN2C(C)=O)",-11.357576351234965],["N1C2CCC1CC(",-11.35757932123622],["NC(=O)c3ccc",-11.357646672886537],["▁CCc1c(C)[nH]c2c",-11.35770910171526],["▁CC(C)(C)c1cc(-",-11.357746975793043],["C(=S)N2CCN(c3ccc",-11.35777459654555],["1CC(",-11.35784312693647],["3ccccc3c2)cs1",-11.357863066029593],["▁Cc1oc2c",-11.357919660321784],["▁CN(C)Cc1cc",-11.357934061285128],["▁COc1c(F)c",-11.35799345895624],["n2N)",-11.35803232884804],["c(=O)n3C)",-11.358070502412966],["c3c(F)cc",-11.358119740258267],["nc(-c2ccccc2Cl)",-11.35812384802002],["c(-c2ccc(C)cc2)n",-11.358165414064036],["▁C/C=C1/C",-11.358190615121416],["c(C(N)=O)cc3)",-11.358215304817122],["c(Cl)c(NC(=O)",-11.358307412704072],["▁CNC(=O)OCc1",-11.358315283151068],["c3cnc(N",-11.35850866871734],["ccc2Cl)",-11.35865604268042],["c2ccccc2[nH]c1=O",-11.358734085997405],["NC(=O)NC3=O)",-11.358791072562118],["▁COC(=O)/C=C1/",-11.35883796758251],["c1nc(Nc2ccccc2)",-11.359021353620996],["C(=O)O[C@@H]",-11.359106861838772],["cc(C(CC(=O)O)",-11.359190923559924],["▁Cn1c(NC",-11.35921301465946],["c(NC(=S)N",-11.359464108376258],["C2=CC(=O)C[C@H](",-11.35947175707784],["Cn1cnc2c(N",-11.3594892923793],["[I",-11.35950988449967],["c3ccccc23)nc1",-11.35968909546963],["c(OC(C)C)c",-11.359864352823632],["cc2)c2ccccc12",-11.359886389771544],["c(CN3CCCCC3)c",-11.36010255452427],["nc(N4CC",-11.360166204471032],["O)[C@@H](CO)O2)",-11.360261716118494],["Cn3nn",-11.360261841885434],["▁CCn1cc(CN",-11.360525709335048],["c2cc(Cl)c(F)cc2",-11.360538383147356],["c2cccc3nonc23)",-11.36057817365035],["▁O=C(c1cccs1)N1C",-11.36077643129074],["C(CCC3",-11.360798997474523],["N(Cc2ccccn2)",-11.360848696651711],["-c2nc3ncccc3o2)c",-11.36086087175508],["CCOC1=O",-11.360872662240048],["CCN1C2",-11.360882330775102],["▁O=c1oc2ccccc2n1",-11.360974937247938],["c1ccc(-n2c(=O)",-11.361046713620746],["▁Cc1ccc2occ(",-11.36108199925014],["(Cl)c(Cl)c2)c1",-11.36109174663966],["▁C#CCn1c(=O)",-11.361155024811094],["c1nnc2n1CC",-11.3612914424581],["=C1c1ccc(",-11.361361094266034],["cc3)[nH]c2c1",-11.361424820366429],["c1cc(C(=O)O)c",-11.3614630957483],["CC[C@@]4(O)",-11.36163064178811],["c1nn2cc(-c3nc4c",-11.361635851489046],["(C2CC2)[nH]n1)",-11.3617061899057],["/C(C#N)=C(/",-11.36177199369804],["2C3C4CC5C6C4C",-11.36184136719757],["OC[C@H]3",-11.36184259412138],["*",-11.361855972587929],["C34CCN(CC3)CC4)",-11.36185600038485],["▁O=S1NC(C",-11.361856173432772],["cc3c(cc1-2)OCO3",-11.361861000665996],["o3)CC2)cc1",-11.361875426985714],["C2(C)O",-11.362035457640008],["(O)c(C(=O)O)c2)",-11.362103423774592],["CC(=O)O)C1",-11.362103684193585],["c(OC(F)(F)F)cc2",-11.362184225864072],["(-c2ccc(OC)cc2)n",-11.36220769640332],["[N+](=O)[O-])NC",-11.36221295813752],["O/C=C(/C(=O)OC)",-11.36233199861696],[")C(=O)NC1CCCC1",-11.362345672982189],["C(N)=O)cc2)cc1",-11.362486891161469],["c(Br)c2",-11.36271647610996],["c1noc(-c2ccc(",-11.362765933057352],["▁Nc1ccccc1N",-11.362846626422884],["(Oc2cnc(N)nc2N)c",-11.362912736776549],["CC3)CC2)cc1",-11.362997136393318],["▁CNc1nc(C)",-11.363313097116684],["NC(=O)NC2=O)cc1",-11.36333538616352],["c1cccc(Oc2cc",-11.363359487659398],["▁Clc1ccc(-c2nnc(",-11.363365703567556],["CCN2CCC",-11.36340902683129],["(C(=O)NC2CCCC2)",-11.36344890547302],["/C=C/C(C)=C\\",-11.363505620638996],["N2CCN(C(=O)c3cc",-11.363530809123631],["c3ccc(N4CCOCC4)",-11.363538637658849],["(OCC(=O)O)",-11.363577968254244],["▁S=C(NCCc1ccccc1",-11.363599001367213],["OCCCc1c[nH]cn1.O",-11.36367390039432],["▁CCOC(=O)N1C",-11.363759332798178],["/C(N)=N\\",-11.363871673722176],["c(C(=O)Nc3ccc",-11.363880590322252],["(NC=O)",-11.363936449536736],["c2cnn(",-11.363953535653163],["[C@H]1CN(C(=O)",-11.364011626875458],["c4cccc(",-11.364022991083084],["cc(-n2cnnn2)c1",-11.364098241344484],["c3ccccc3)co2)cc1",-11.364143757891346],[")N1CCN(CCO)CC1",-11.364169324020068],["CC/C(C",-11.364195721565556],["=CC2=O",-11.364225403496242],["C2(C)CCN2C(=O)",-11.364244779180062],["/[N+]([O-])=",-11.364327780966184],["N(C(=O)c1csnn1)",-11.36433017761175],["3)C2)",-11.364356997878582],["▁CC(=O)N1CCc2cc(",-11.364391442817084],["cc(N2CCCC2=O)c1",-11.36460716723484],["cc[n+]2",-11.364610536474723],["nc(S)n2",-11.364641235557464],["C1c2ccccc2C",-11.3647586375592],["C(COC(=O)",-11.364848269981245],["cc2-c2ccccc2)",-11.364891736160407],["c3cccc(c32)",-11.365087331255882],["c1cc(=O)c2c(O)c",-11.365111337841558],["C3CCCCC3)CC2)c1",-11.365297664160051],["c3cccc(OC)c3OC)",-11.365316364957366],["CN(CCN(C)C)",-11.365370638752426],["▁N#Cc1c(N)n",-11.365477335634193],["nc(-c4ccc(F)cc4)",-11.365587987999042],["c(/C=C/c3ccccc3)",-11.36570189431488],[")[C@@H](C)O",-11.365787844526112],["c(CN2CCCC(Nc3ccc",-11.3658442671996],["CN(O)C=O)C(=O)N",-11.365865007275143],["▁OC(c1ccccc1)(",-11.36597597515657],["(F)c(Cl)",-11.36601806332822],["c3n2)C1",-11.366101890967895],["c(F)c2)=NO1",-11.36610935720919],["nc(N)c2nc(O)n(C",-11.366137342398556],["(=O)[nH]c2=O)cc1",-11.36613813735078],["▁CCOC(=O)c1cnc(N",-11.36619270523348],[")-c1ccccc1C3=O",-11.36620705305488],["▁CCSC(=N)N",-11.366229726310747],["C2)c(=O)[nH]1",-11.366361098124752],["c1cc[nH]n1)",-11.366395195489975],["C2)c(F)cc2c(=O)",-11.366546245384118],["▁Oc1cc(N",-11.366547633810354],["c1ccc(C)c(NC(=O)",-11.36662905985981],["▁CCC[C@H](",-11.366682958386502],["▁COC(=O)c1ccc(CS",-11.36668311007114],["▁CC1=C(C#N)C(",-11.36668739071209],["C(=S)[S-]",-11.366700744288188],["(C)(C)NC(C)(C)C1",-11.366760708652489],["NCc1ccco1)",-11.366914394956806],["c2oc(C)c",-11.366972653474658],["c3cccc4",-11.367068439123129],["cc1-c1cn",-11.367087171706087],["c2cc(-c3ccncc3)n",-11.36728311857179],["@]",-11.367352525820293],["2=C(C(=O)CCC2)C1",-11.367398659621337],["c(-c2ccccn2)cs1)",-11.367733861007276],["▁Cc1cn(C2C",-11.367964512022388],["C(=O)NC1=NCCS1",-11.367973934609209],["▁COc1cc2c3c(c1OC",-11.36798586090379],["▁CCOC(=O)[C@H](C",-11.368090031313248],["c2cc3cc(OC)ccc3",-11.36811483034781],["n3nn",-11.368244633878716],["c1nnc(S)",-11.368249383810925],["▁CC1=NN(c2ccccc2",-11.368294434757932],["[C@H](S)",-11.368317785417403],["OCC1=O",-11.36848283934692],["cc(-c2cccs2)n1",-11.368539619447027],["OCCCO3)",-11.368580870096483],["c2oc(-c3ccccc3)",-11.36860567160681],["nc(O)c2c1C",-11.368631888456852],["NC1=NCCN1",-11.368701699856462],["C[C@H]3CO",-11.368706869246065],["CN2C(=O)NC(C)(C",-11.368781850358213],["oc3nc2c1",-11.368822338999914],["▁Nc1cccc(C",-11.368856184606532],["c3c(nc12)",-11.368904341207005],["▁O=C(NO)c1ccc(",-11.369112354610486],[")C(=N)N",-11.369219174731905],["(O)CC(=O)[C@@H]1",-11.369373492514796],["c2ccc(C3CNCCO3)",-11.369521783415124],["▁CC(C)(C#N)",-11.369528620096627],["c(=O)n1CC2",-11.36971947111983],["c3ccccc3)s2)cc1",-11.369771366358217],["N1Cc2ccccc2CC1",-11.36977329081528],["c(C(N)=O)c2",-11.369782438564144],["c2nc3ccc(OC)cc3",-11.36984165629352],["c1ccc2nc(O)",-11.369843104273658],["▁CCCn1c(SCC(=O)N",-11.369892327475538],["CC2)OCO4",-11.369914601426524],["c1cccc2c1OCO2",-11.369926855980198],["c(-c2ccccc2Cl)n",-11.369937451474396],["(C[N+](C)(C)C)",-11.369964924161152],["c2c(NCC",-11.369973434147797],["c2sc3ccccc3[n+]2",-11.370082499211788],["C1COCCN1C(=O)",-11.37009123209364],["C3CCOCC3)CC2)",-11.370168775464638],["C(C)N1",-11.3702474205235],["[C@@H]2[C@H]1CC",-11.370257547071006],["C1C(=O)C=C(N",-11.370277083766926],["OS(=O)",-11.37049163525178],["/C=N\\O)",-11.370537163147342],["c(NCc3cccnc3)",-11.37062927518597],["oc2ccc(Br)cc12",-11.370632164058584],["cc2CN1",-11.370632925260084],["▁O=C(O)c1cc2c(",-11.370710895370744],["cc3)nn12",-11.37071527790868],["▁Cc1ccc(C(C",-11.37075201589769],["N=C(S)N(C",-11.370820427735564],["cc(c23)C1=O",-11.370941153176362],["n2c(N)n",-11.370957147669976],["▁Cn1cc(S(=O)(=O)",-11.3709639591119],["▁c1ccc2cc(",-11.370979087336174],["C1CCSC1=O",-11.370990247025656],["c(C2CCNC2)cc1)",-11.370994444483404],["c2cc(Cl)ccc2C)",-11.371004877134691],["▁Cc1cc(O)c2c(c1)",-11.371148839896236],["C(=O)c1c(OC)c",-11.37117455157917],["c(C)c2)c1",-11.371197588884444],["c5c(c4)OCO5)",-11.371301644920802],["▁O=C(O)CN1C",-11.37131124761602],["▁CCc1nc2c(",-11.371351509815922],["c(=S)[nH]c1=O",-11.371353042078011],["▁CC(=O)N1CCCC(",-11.371423442184131],["c4nccn4",-11.37145655671175],["▁C=CC(=O)Nc1ccc(",-11.371516219403304],["▁CC1=C(C)C(=O)C(",-11.371598253869442],["cn1)c1ccc(F)cc1F",-11.371610764007093],["▁CSc1ccc(Oc2nc",-11.371675804778832],["c(N)c(N",-11.371737780878084],["CCCC[C@@H]1C",-11.371792359178263],["▁NC(=O)Nc1sc(",-11.371794794939513],[")=C1C(=O)N(C",-11.37192235062185],["[C@H]2CC[C@H]3C",-11.372058398226104],["▁Cn1nnc(",-11.3720734049462],["▁Cn1ncc2c",-11.372135676332048],["▁CC1(C)O[C@H]2",-11.37214095329602],["n3ccccc23)",-11.37237663568724],["▁CCNC(=O)Nc1c",-11.372445233177624],["c(-c2coc3c",-11.372487566216998],["▁CC[C@@H](NC(=O)",-11.372510083205771],["nccc12",-11.37252375004526],["Nc1ccnn1C1CCN(C",-11.372539118700978],["ncnn12",-11.37254454418479],["N=C(N)S",-11.372551711651123],["c2ccn(C)n2)",-11.372567655119218],[")c1ccoc1",-11.372568930733356],["cc(OCc3ccccc3)",-11.372595705288598],["/C1=C/c1ccc(",-11.372605656516972],["o1)C2",-11.372634515813994],["▁CN(C)C[C@@H]1C",-11.372666647594674],["c2c1ccc1[nH]",-11.372717481773783],["-c2nc",-11.37278987626714],["Oc2ccc(NC(=O)",-11.37284222104929],["c2cc(Cl)c(Cl)",-11.372954304013302],["▁Br.CN1CC",-11.37300543233307],["▁CC(C)Cc1c",-11.373056206287998],["▁Nc1ncc(-c2cc(",-11.373124633277502],["▁CCCC[C@@H]1C",-11.37317451658359],["▁O=C(Nc1ccc2oc",-11.373262811684125],["c2cc[n+](C)cc2)",-11.373265915633349],["c3ccsc3)CC2)",-11.373276451309618],["C1(O)C(=O)N",-11.373325229171437],["c1ccccc1)Oc1ccc(",-11.373435704819965],["▁O=C1CCc2c",-11.373684978061362],["cc2OC)C1",-11.373834606756958],["▁CC[C@H]1CN2CC",-11.373883478966],["▁OC(COC",-11.373885908452202],["N(O)C1=O",-11.37395839567994],["/N=c1\\cc",-11.37403397953702],["▁C=CCc1c",-11.374113274535404],["3)cc2)CC1",-11.374161009391823],["cnc3[nH]2)cc1",-11.374392205401568],["C(=O)NCc2ccncc2)",-11.37440670021369],["▁OC[C@H]1OC(n2cn",-11.37452718675461],["[C@@H]1CCN(C",-11.374814389757782],["▁Cc1ccc(-c2ccc",-11.374895572054124],[")C(=O)N1CCOCC1",-11.374980256165834],["c3ccncc3)C2)",-11.374982551691849],["c2ccc(C)o2)cc1",-11.375233999355446],["P(=O)(c2ccccc2)",-11.375343961705552],["ncnc2n1",-11.375376138998774],["▁CC1(C)C[C@H](O)",-11.375425127424528],["[C@@H]2Cc3c(",-11.375574174284012],["c3ccc(C(=O)N",-11.37560061630151],["CC/C2=N\\O",-11.375604495412592],["[C@H](C)C1",-11.375636241103347],["c2nc3ccccc3c(NCC",-11.37564147284462],["▁Cc1cc(Nc2n",-11.375684043865135],["NC12",-11.375756726872336],["▁CC[n+]1c",-11.375881061320168],["▁O=c1cc(CS",-11.375889344245],["c3cccs3)n2)cc1",-11.375966119262486],["▁COc1cc(C)c",-11.375981567948308],["c3ccc(C#C",-11.376115400273378],["[C@@]2(C)CCC(=O)",-11.376179827463844],["▁Nc1[nH]n",-11.376193892214111],["C(c3ccc(C)cc3)",-11.37620156507274],["Cc3ccccc32)C1=O",-11.376236268964544],["▁CNC(=O)OC",-11.376244986150432],["n1nnnc1-",-11.376289946258533],["CSc2nnc(C)n2",-11.376337533887618],["C=C(C(C)C)",-11.376363193305536],["▁Cc1ncccc1O",-11.37645909955642],["CC[C@](C)(O)",-11.37647898811506],["c1C2",-11.37657200234339],["c(C(=O)OCC)c",-11.37657350232203],["[C@H](O)C[C@H]1",-11.376657941787148],["▁CCNc1c",-11.376717957888218],["C1=COCCO1",-11.376726976035387],["C3)ccc2c1",-11.37675686978026],["▁COc1ccc(/C=C2\\O",-11.37681421314158],[")N1CCC2(CC",-11.3769020650989],["C)c(OC)cc4c2c1)C",-11.376957289789392],["ccc(C(C)=O)c1O",-11.37711045704408],["▁CCCCC1C",-11.37714867308556],["ccc1N1CCN(CCC",-11.37721555885146],["[C@H]3C=C",-11.377251299413157],["N2CCC3(CCCN(C",-11.377286641651034],["▁CCc1ccc(O",-11.37735388497224],["▁C=CCCCCC",-11.377500135360531],["n2c(C)nc3ccccc3",-11.377503253174556],["C(=O)c1ccc(N",-11.377617380718164],["c[n+]([O-])c1",-11.377686656873076],["nc(-c2ccccc2)oc1",-11.377694793799652],["c2c(n1)-c1ccccc1",-11.37778890372417],["▁Nc1nnc(",-11.377881234919212],["c2ncn([C@@H]3",-11.377946455216565],["n4)c3c2)",-11.377974443166911],["c(C)n(CC2CCCN2C",-11.378006645807268],["▁CNc1nc(Nc2ccc(",-11.378059305630751],["NCc1ccnc(-c2ccc",-11.378120656329587],["▁ClCC",-11.378126971649166],["▁CCN(CC)c1ccc2c",-11.378195437519055],["(C)c(O)c(C)c1",-11.378305292214016],["c4ccc5ccccc5c4)",-11.37833792749391],["Cc1cnc(C)nc1N",-11.37842916187973],["▁C=CCOc1ccccc1",-11.37847505342795],["c(O)c1Br",-11.378482593603644],["1CCCCN1S(=O)(=O)",-11.378621076709935],["▁CCc1nc(SC",-11.378668701009458],["c2ccccc2OC(F)F)",-11.378692697983295],["nc(NC3CCCC3)",-11.378715392605107],["▁NC(=O)c1nc",-11.378722757773652],["▁CCNC(=O)Nc1ccc(",-11.378886846214924],["o3)cc2)cc1",-11.379001977337618],["n1c(=O)[nH]c2cc(",-11.379070965942148],["c4c(c3)OCO4)",-11.379088709257186],[".NCC",-11.379214350781506],["C(=O)O)cc3)",-11.37926300512414],["cc2)c2ccccc2c1=O",-11.379329010676326],["[C@H]34)",-11.379405419805408],["▁C=C(C)C(O)C",-11.379417194512744],["c2[nH]nc",-11.379421493456558],["c1cnc2ccccn12",-11.379766890451275],["c2c[nH]c3ccc",-11.379932751337533],["▁O=S(=O)(O)O",-11.379952843851232],["▁NCCCC[C@H](N",-11.380095796462228],["c(C)c2oc1=O",-11.38036499443074],["NC(N)=NC(=N)N1OC",-11.380374520908283],["c2c([nH]c3cc",-11.380394382023017],["c3nc(N)nc(N)c23)",-11.380397041156549],["(C2O[C@H](CO)[C@",-11.380399264674256],["c3cccc4c3OCCO4)",-11.380440755565942],["c1nc(N(C)C)",-11.380456876671056],["O)[C@H](O)[C@",-11.380497595618596],["CCc3cccnc32)CC1",-11.380535447352564],["CC(C1=NCCN1)O2",-11.380597877916433],["cc(-c4ccccc4)c3)",-11.380617136612544],["c1cc2c(cc1[",-11.380697834138214],["(=O)cc(N3CCOCC3)",-11.380701586210522],["cc1-c1",-11.380707051415673],["S)Cc1ccccc1",-11.380740511702836],["[C@@H]2CCCN2C)c1",-11.380744050641688],["(-c2cccc(OC)c2)",-11.380764408189194],["c2nnc(C(F)(F)F)",-11.380889798952694],["[nH]c(=O)c1O",-11.38096545068406],["c(-c3ncccn3)",-11.381046072901906],["1CCCC(n2ccnc2)C1",-11.381055190356877],["c2cn(C)c(=O)",-11.381158393964704],["▁Cc1nc2c3c(c(",-11.381181869459244],["▁CSc1nsc(SC",-11.381185506967284],["C(=O)C(C)S",-11.381230690710336],["2CCC(C2)",-11.381232233716151],["C(=S)N(C)C",-11.381258637541851],["C(C)C1(Cl)Cl",-11.381284623639138],["Cc1ccccc1-3",-11.38139789401047],["▁Clc1ccc(Cl)c(",-11.38146900740758],["▁CCn1c(=O)c(",-11.381598173020084],["▁COC(=O)C1CC",-11.381735278543394],["c(C(=O)O)c(O)",-11.381771443111267],["▁Cc1cc(NC(=O)CO",-11.381790081594335],["-c2ccc(F)cc2)o1",-11.381792829960323],["N2CC3(C",-11.381862332955036],["▁O=C(O)c1ccnc(-",-11.382014663663252],["c2cccc(CO",-11.382107580879223],["▁Cc1n[nH]c(SC",-11.382117888636405],["▁CC(/C=N/NC(=O)",-11.382178085342575],["c1c(O)c(Cl)c",-11.382188813527776],["5c4[C@@]2(CCN3C",-11.38222491623916],["c1ccnc(Oc2ccc",-11.382248123243231],["n2cccn2)CC1",-11.382470303366704],["▁Cc1ccc(-n2cc(C",-11.382706329310258],["2)ncn1",-11.382836404136777],["C12CC3CC(",-11.382962176218928],["▁O=C(CC1S",-11.382983381295665],["c3ccccc32)cc1Cl",-11.383059338621893],["(C(=O)N3CC",-11.38309607165414],["▁C=C1CCC[C@@H]2",-11.383111337889932],["▁CCCn1c(=O)c2c(n",-11.383229181156468],["CNCC3)",-11.383652994451944],["[C@H](C)CO)",-11.38374112388718],["c1ccc(-c2nc(CNC",-11.383810918655255],["c(-c2[nH]ncc2-",-11.383860915962444],["▁CCc1ccc(-c2n",-11.38388258033768],["C=O)cc1",-11.383994875289172],["2CCCCC2)c[nH]1",-11.384015909286244],["▁COCC1CCN(",-11.384066674457705],["nnc1-c1ccccn1",-11.384080695245796],["[C@@H]3[C@@H](O)",-11.384134221084842],["c(-n4ccnc4)",-11.38416071952024],["c1c(O)cc(O)c2c1O",-11.38424568227616],["▁O=C1c2ccc(O)cc2",-11.384256723938105],["C(O)C(O)C2O)",-11.38430442125286],["C(NCc1ccccc1)",-11.384343492744248],["▁CC(C)n1nc(-c2c",-11.384371977492336],["c2c43",-11.384393263208274],["NC(=O)c1ccc(C2CC",-11.384445373394865],["▁Fc1cccc(N",-11.384452902487409],["c2)c(OC)c1",-11.384458256912117],["c1noc(C2CC2)n1",-11.384486229946146],["C2OC(CO)C(O)C2O)",-11.384537084136548],["-c2noc(CCC(=O)N",-11.384600048519705],["[C@@H](C)[C@@H](",-11.384616358892906],["cc3s2)",-11.384618203741136],["▁N=C(N)c1ccc2cc(",-11.384786586434616],["▁Cc1cc2c(c(C)c1",-11.384789441962264],["▁COc1ccc2[nH]c3c",-11.384843739516146],["▁CN(C)CCOc1cc",-11.384849180628024],["c(C(=O)N4CCOCC4)",-11.384934921434745],["N+](=O)[O-])OCO2",-11.38493852274788],["▁CC(=O)OC[C@H]1O",-11.385017070706969],["NC(=O)c2cnn3ccc",-11.385223541876083],["▁Nc1ncnc2c1nc(",-11.38527857881295],["▁O=c1oc(",-11.38529144054549],["5)n4)n[nH]c3cn2)",-11.385463424685492],["/C(C#N)",-11.385609988196222],["(CC2)C3)",-11.385642944812677],["CCN(C(C)=O)C2",-11.385649525133854],["c(N2C(=O)CN(C",-11.385686603468702],["c2cc(F)c(F)cc2F)",-11.385819175651982],["CN5CCC",-11.385941190435922],["CCCl)cc1",-11.385959084816095],["c2c1c(=O)c",-11.386031422840611],["n3c4ccccc4",-11.386038692675267],["](=O)",-11.386088024282564],["[C@H]2O[C@@H](n3",-11.38609624859861],[")N1CCC[C@H]1",-11.386107240134532],["c(C)c2)cc1",-11.386120050845635],["c1oc(C",-11.386144126809114],["c(-c4n",-11.386308326248072],["C(=O)SCC",-11.38630992183671],["▁C[C@]12C=CC(=O)",-11.386329388762816],["(N3CCNCC3)cc21",-11.386370087961016],["c(F)cc1F",-11.386384010345788],["C[C@@H]3C)",-11.386410683635408],["c3cccc4cc",-11.38644737705356],["cc1)[n+]2C",-11.386518801368524],["▁S=C(NCc1ccccc1)",-11.386582302801566],["c2cc(Br)ccc2c1",-11.386708837984449],["C2(O)CCC",-11.386757468678622],["c1nc[nH]n1)",-11.387007801089704],["c2ccccc2)ccc1OC",-11.387072703750643],["▁Cc1cccc2nc(",-11.387208753462035],["▁Cc1cc(CO",-11.387234097981777],["[C@@H]1CCN(C(=O)",-11.387268546050745],["▁CC12CCC",-11.387328924695476],["(F)cc(F)",-11.387355975079911],["c(Cl)c(N)",-11.387413675449691],["NC(=O)c1ccccc1N",-11.387551529920811],["(CC1)CC2",-11.387727152325894],["4)ncnc32)",-11.387774327013556],["[C@@H](C2)N(C",-11.387902091670531],["n4)c3c2)o1",-11.38801415081561],["3nc(N)nc(N)c3c2)",-11.388041227864488],["3)n2)cn1",-11.3880646387211],["▁C(=N",-11.388215460938431],["▁Oc1ccc2c(c1)C",-11.388259414934282],[")[C@H]2O",-11.388270350070789],["/C=C3\\",-11.388361806294249],["▁Cc1cccc(Cn2c",-11.388553039574576],[")c1cnn2cccnc12",-11.388645111967184],["▁O=S1(=O)NC",-11.388828974810249],["▁CCCCCn1c",-11.388893418351945],["c3ccccc3)c2)c1",-11.388916979232755],["C=C(c2ccccc2)CC1",-11.38910141227642],["3c(c2)B(O)OC3)",-11.38913250748618],["▁CS(=O)(=O)c1c",-11.389146279637504],["sc1-c1ccccc1",-11.389176764092838],["CCCCCO)",-11.389198159931189],["cc(C(=O)OC)",-11.389252944915404],["c2c1cc1n(c2=O)C",-11.38926140996439],["c1ccc(O)cc12",-11.389303867017723],["C(=O)N[C@H](CO)C",-11.389341097554269],["▁CC1(C)[C@H]",-11.389348792737046],["CCCCCN1C[C@H](O)",-11.389395037180725],["▁Cc1cnn(CC",-11.389408776805356],["c2ccccc2[C@@H]1O",-11.38946959222061],["Nc1nnc2n1CCS2",-11.389496585581256],["CCc1nc2ccccc2",-11.389576771951884],["N1CCN(CCO",-11.38963046197027],["CN(C(C)C)C",-11.389678248291526],["c2cccc(Br)c2)n1",-11.389787516125072],["CNC(=O)c1ccco1)N",-11.389888058879482],["c34)CC2)cc1",-11.389929521233691],["(C4CCCC4)",-11.389936052732295],["c2-c2cc(OC)c",-11.390107586095116],["Cn1c(=O)s",-11.390266395581303],["C(=O)c1ccc(O",-11.390291148293764],["2CCC3(CC2)C",-11.390305691399575],["▁CCN1CCc2c(",-11.390429023147613],["nn13)C",-11.390543845799456],["N2CCCCC2)s1",-11.39055855223381],["COC4)",-11.390567318305564],["3CCOCC3)c12",-11.39061725676643],["▁CC1(C)N=C(",-11.3906396941306],["CCCCc3ccccc3)o2)",-11.390770981228806],["cc(Oc4ccccc4)c3)",-11.390840240523527],["N(Cc3cccnc3)",-11.390907454809955],["Nc1nc2c(s1)C",-11.391000546377589],["[C@@](C)(CO)C",-11.391183178001892],["1)c1ccccc12",-11.391342714999755],["c(-c2nc(CN3CCN(",-11.391361671987422],["c(C)c21",-11.391366768761737],["c1cc2n(n1)CCCN(",-11.391445856184893],["c2ccc(C)cc2)s1",-11.39145186131098],["(Nc3ccc(C#N)cc3)",-11.391467308504994],["C1(C#N)C#N",-11.39148646466178],["C(=O)C(OC)=C",-11.39151657255329],["[C@]1(O)C=C(",-11.391561073500329],["▁N#CCNC(=O)",-11.391608089318176],["▁CCCCCCCCNC(=O)",-11.39192995949602],["▁NC(CS",-11.391983191798062],["c(C)n1C1CC1",-11.39198603036082],["▁CC(C)C[C@@H](C",-11.39207987244109],["/C(=N\\N=C(N)N)",-11.392178539455028],["▁COC1CC",-11.392214129583396],["C(CCSC)",-11.392287710199762],["▁Nc1ccccc1S",-11.392383523799062],["[C@H]3C2)",-11.392397661552469],["▁FC(F)(F)Oc1cc",-11.392531690494335],["▁C/C(=N\\NC(N)=O)",-11.392657925257891],["▁CC(C)Nc1nc",-11.392711175385616],["CS(=O)(=O)C2",-11.39275113301636],["[nH]c(O)nc1C(=O)",-11.393132932867497],["c(OC)c2)n1",-11.393224559513978],["▁CCOC(C)",-11.393281684532012],["/C=C\\CCC",-11.393295367948458],["c3ncnc(N)c23)c1",-11.393374148462089],["N=C1c2ccccc2-",-11.39346777055625],["c1cc(OC)c2c(c1)O",-11.393588466691748],["c3c(cccc3",-11.393668893852062],["c1nc(-c2c",-11.393726794488895],["CCc1ccoc1",-11.393728521682869],[")c(Br)c1",-11.39406293651786],["C(=O)c2c(O)",-11.394142391074997],["▁O=C(CN1CCCCCC1)",-11.394202428797898],["c(-c2c[nH]c3ncc",-11.39425079421178],["N(Cc1ccncc1)",-11.394307666078456],["N2c3ccccc3C",-11.394403663055543],["[C@@H]2CC[C@@H]3",-11.394428190644057],["C3)ccc21",-11.394433905710526],["CCCCCC(=O)NO)cc1",-11.394482559776046],["c3cccnc32)c1",-11.394519217275374],["P(=O)(O)C(N)C",-11.394740954612622],["c1cccc(N2C(=O)",-11.3948438561644],["C(O)(C#C",-11.394875940712431],["CC(C)(C)C2)C1",-11.394882903285184],["▁CC(C)(C)C(=O)OC",-11.394973207810494],["c1ccccc1N1CCCC1)",-11.394976700164772],["C=C2C=C",-11.394993805373836],["CCCC/C=C\\CCCCCC",-11.395003275721727],["▁[2H]",-11.395073102634264],["N(C2CCCCC2)C1=O",-11.395136643682331],["c(=S)s",-11.395267654195765],["c3cccnc3)C2)",-11.395352213097414],["(/C=N/NC(=N)N)",-11.395536305021622],["C2=C(C)C(=O)",-11.395608516110968],["▁CC1(C)C=Cc2c(c",-11.395742218243608],[")N/N=C/c1ccc(",-11.395784681272549],["c2ccc(C(=O)N3CC",-11.395792248927927],["c(C)nc2s1",-11.395837082039977],["CSc1nnc(-c2c",-11.395838589443432],["C(=O)O)ccc2c1",-11.395855131351931],["▁O=C1CCCCC1",-11.39590753933588],["▁CCS(=O)(=O)N1C",-11.396000325077043],["c1ccsc1)CC2",-11.396104330179565],["▁Cc1cc(Cl)cc2",-11.39611732734412],["▁O=c1c2ccccc2nc2",-11.396276940234788],["C2=C(O)C(=O)",-11.396371886726625],[")OCO5)",-11.396511474576211],["CCS(=O)(=O)O)",-11.396560909410548],["C1CCc2ccccc2N1",-11.396598304415187],["/N=C/c2c[nH]",-11.396670893474148],["nc2sc(C",-11.396762291464556],["▁O=C(NCC(O)",-11.39678188012524],["[C@]4(",-11.396977481181631],["CC/C(C)=C/CC1",-11.396982535831478],["▁Oc1cccc(-c2n",-11.397097843561426],["▁CN(C)CCOC(=O)",-11.397190830202764],[")S2",-11.397209016146476],["▁CCCOc1ccc(-c2c",-11.39728396604912],["C(c1ccc(OC)cc1)",-11.397434560696194],["c1ccccc1)c1ccc(O",-11.397478451376914],["c(Cc4ccccc4)",-11.397491670116102],["F)c2c1",-11.397582227162935],["▁CNCCO",-11.397601177659311],[")\\c1cccnc1",-11.397657353689588],["▁O=C(C1CCCO1)N1C",-11.397687560008231],["n2)c(Cl)c1",-11.397733448759288],["▁Cc1cc(F)c",-11.39775371311626],["c2cccc(F)c2)cn1",-11.3978638599113],["CC(C(C)(C)C)",-11.397975957185038],["▁COc1ccc(-c2cc3c",-11.398003762740208],["c3c(F)c",-11.398028410393408],["c1nc2cc3c(cc2s1)",-11.398130060991022],["c2nc(C#C",-11.398235706582865],["c2ccccc2c(=O)n1N",-11.398290468528446],["▁c1csc(-c2c",-11.398300399185729],["▁CC(C)Cc1nnc(N",-11.398304728015804],["c1[nH]c3ccccc3c1",-11.398313399115194],["Nc2ncnc3[nH]c",-11.398325880132212],["c2ncc(Cl)",-11.398355532517044],["▁COc1cc2o",-11.3984622164356],["(Cn2cncn2)",-11.39855377533531],["▁Cc1ncc(CO)c(",-11.399164281172409],["NC(=O)Cn2nc(C)",-11.399212336548556],["3CC[C@H](C2)N3)",-11.39923741551707],["[PH](",-11.399237650077527],["/N=C(N)/N=C(\\N)N",-11.399242471811563],["1(C)CC2CC(C)(CN2",-11.399245876519071],["▁CCCn1c(O)nnc1SC",-11.39925344339241],["(C3CCCC3)",-11.399360808419614],["▁N#Cc1cc(-",-11.399377311546774],["2=C(C)CCCC2(C)C)",-11.399443267861823],["NC(=O)CSc2nnc",-11.399444364468565],["CC[C@@H]23)",-11.399507486017468],["[C@H](CN(C)C)",-11.39953174509896],["c1nc2cccnc2n1C",-11.399550891576268],["[nH]c(=O)c1C",-11.399552186788345],["[C@H]1CC[C@@]13C",-11.399562796040335],["N(c3ccccc3)CC2)",-11.39971212497565],["c3ncco3)",-11.399821292221818],["/C=C/C=C(C)/C=C/",-11.39984177891778],["▁CCCCNc1nc(N)nc2",-11.399867430978976],["=C(C)/C(=C(\\O)OC",-11.39988431996948],["▁O=C(Nc1cnc",-11.399950646360343],["c1cc[nH]c1",-11.400025695092424],["N2N=C(c3ccccc3)C",-11.40005040314175],["▁CC1(C)S",-11.400074184254178],["ccc1-n1cnnn1",-11.400175008745547],["2CCN(c3ncc",-11.400193964174209],["cccc1OC",-11.40025004565184],["c(/C=C/C(=O)O)",-11.40027342433442],["▁CCc1nnc(C",-11.400276408838035],["C3=C(O)",-11.400342784957784],["c1ccc(C#Cc2cnc(O",-11.400387134237713],["[C@H]3CCCN4CCC",-11.400571107644785],["=C(Cl)Cl",-11.400687538985473],["nc(-n2ccnc2C)c1",-11.400707646668211],["NC2=NS(=O)(=O)",-11.400711523304173],["▁CC(N)C(=O)N",-11.400728250829012],["c4c3CCCC4)",-11.40073505154756],["▁Cc1ccsc1CN",-11.400789575052992],["[C@@H]3CC[C@@H](",-11.400796138800183],["c2cccc(F)c2)o1",-11.40090664815861],["/N=C(\\c1ccccc1)",-11.40118516185886],["ccc1N1CCCCC1",-11.401198091030436],["C3CN(C(=O)",-11.401223689838863],["c(C)cc1C",-11.401278174113855],["2c3c(cccc3c1)",-11.401280305144198],["c2cc3c(cc2Cl)",-11.401289720525396],["3c(c2)oc(=O)n3C)",-11.401353474386474],["CN(C3CCOCC3)C",-11.401433133227204],["c2nc3c(cc2c1)",-11.401538182508734],["c2c1cnn2C",-11.40190977936262],["N3CCOCC3)ccc21",-11.401942949683544],["c2c(ccn2",-11.40205568017632],["SC)cc1",-11.40215945917226],["▁CN1C(=O)CC(",-11.402297836913103],["1CC[C@@H]2O",-11.402324048870632],["c(-c4ccccc4)cc3",-11.402355533454289],["c1cc(O)nc(SC",-11.40236069887786],["c1ccccc1)c1nc",-11.402622486301436],["▁Clc1ccc(OCC",-11.402754308905926],["c1n[nH]c(SC",-11.402827209193513],["H]2[C@H]1CC/C(",-11.402954911723809],["/N=C(C)",-11.403114897520313],["[C@H]3CNC(=O)C3)",-11.403197229475325],["cc(-c2cnc3[nH]cc",-11.403383502305465],["(-c4ccc(O)cc4)",-11.403460892758147],["/C=C1\\O",-11.403570828096822],["▁CC(Cl)",-11.403660630062143],["cc2cccnc12",-11.403698365961752],["C1CCCN(C(=O)N",-11.403760015336257],["N2C(=O)C(Cl)=C(N",-11.403884410024316],["2)[C@H]13",-11.403931619260945],["c1c(O)cc(O)cc1",-11.40424448799113],["CCSSCC",-11.404417193427289],["c4ccccn4)CC3)",-11.404444100681877],["n(-c3ccccn3)",-11.404584990415938],["▁COc1ccc(C)c2sc(",-11.404816200941651],["▁COC(=O)/C=C1\\",-11.40496387797956],["nc(C(=O)O)",-11.404987982126162],[")C(=O)N(C)",-11.405160582877333],["▁Oc1ccc2c3c1O",-11.40526468981575],["cc(OC(F)(F)F)c1",-11.405322358248029],["▁CSc1ccc(CN",-11.405330778903757],["c4ccc(F)c(F)c4)",-11.405471327489645],["C1CCCc2c1",-11.40547436215426],["(Cl)c(Cl)c2C1=O",-11.405482650181211],["CCC1=CCCCC1",-11.405627848476408],["cc2)CO1",-11.4056652424695],["▁CNS(=O)(=O)C",-11.405765426002334],["▁CC1(C)CO",-11.405796885094189],["c(OCC)c1",-11.406064345820756],["▁CC1=CC[C@H](",-11.406083266458538],["[C@@H]1CNC",-11.406105080659426],["C2C3CC",-11.406262880262084],["▁Cl.O=",-11.406364961508675],["c1cc(CO)cc(",-11.406512479007947],["c3c(Cl)cccc32)",-11.406532209654438],["c5ccccc45)CC3)",-11.406601145990182],["OCC(O)CO",-11.406666061800546],["▁Cc1ccccc1N=C(S)",-11.406703285937638],["cc(OC(C)C)",-11.406712945227609],["▁CSc1ccc(-c2c",-11.406846636812263],["C1CCCN(C(=O)c2cc",-11.406884351285916],["nc3c(N4CC",-11.406917806594794],["c(-c4cnn(C)c4)c",-11.406976130356467],["▁O=C(CCC1CCCCC1)",-11.407079953609092],["▁c1cnc(N",-11.407151796457269],["=C2C#N)",-11.40722717642507],["c3ccc4c(c3)CCO4)",-11.407254203403506],["c5c34)CC2)cc1",-11.407587682014272],["c2cc(-c3ccco3)n",-11.407600731278167],["S(=O)(=O)NC(=O)",-11.407659021160235],["2CCN(c3nc4ccccc4",-11.40777906478086],["c(-c3csc(N",-11.407781228345188],["▁Cc1ccc2[nH]cc(",-11.407999446893182],["C(c3cccnc3)",-11.408120807265115],["3)[C@@H]2C1=O",-11.408156383033564],["c1nc2c(s1)CCCC2",-11.40824700982922],["sc2nc(-c3cccs3)c",-11.408283597862573],["▁COC(=O)NC1=NC(",-11.408284442180204],["c1cc(NC(=O)N",-11.408357428725353],["=C(C=O)",-11.408411409160223],["c3ccccn3)cc2)",-11.408426059878105],["▁Cc1ccc(C)c(OCC",-11.408568253728694],["CCNC(=O)c2cc",-11.408612959294029],["▁N=C(NCC",-11.408730356897928],["N2CCC(N3C",-11.4088537689114],["c2ccnc(",-11.408912970071892],["▁CC(C)CN(C(=O)",-11.409025114032865],["CC[C@]2(C)[C@H]3",-11.40905005953008],["cs2)nc1",-11.4090799942947],["▁CC(=O)c1s",-11.40910357892609],["C(=O)C=C(C)C)",-11.409225880489592],["NC2=O)c1",-11.40944432143416],["N(Cc1ccco1)C(=O)",-11.40951085297324],["c1cc(C)nc(N",-11.409646680689582],["c2[nH]c3c",-11.409661844940208],["sc(N=C(N)N)n3)",-11.409750824773228],["▁O=c1c2ccccc2o",-11.40976814969578],["c2ccc3c(c2)CCCC3",-11.40977606246363],["C1(c2ccccc2Cl)CC",-11.409787843726203],["NC(=O)c1ccccc1Br",-11.409848600600622],["c4cccc(O)c4)",-11.410011384988954],["Sc1sc(C(=N)N)cc1",-11.410014972113276],["▁O=c1c2cc",-11.41006468232025],["c2c(-c3nc4ccccc4",-11.410069372204976],["(\\C)CCC=C(C)C",-11.410089053361208],["c3nc4c",-11.410127622257177],["C3CCCCC3)nc2c1",-11.410139073255566],["▁COc1ccc(N=C(S)N",-11.410205025746652],["C2CCNC2)",-11.41024992221822],["Nc1nnc(S)s1",-11.410262448053548],["▁Cc1c(C)n(",-11.410269385194796],["Cn1c(=O)c",-11.410296773901372],["c(CC(C)C)n",-11.410322223482916],["P(=O)(O)O)[C@@H]",-11.410322715347396],["3c(C)cc(=O)oc3c2",-11.41041064477244],["C(=O)c1sc(",-11.410466495934187],["c1cc(-c2ccccn2)",-11.410828600869396],["c2ccc3cc[nH]c3c2",-11.410877845880094],["nc-2c[nH]1",-11.41089146975342],["3CCN(C(C)C)CC3)",-11.41099089995878],["▁c1cn(C",-11.411074384824932],["N3CCOCC3)cc2",-11.411175841116254],[")OCC2",-11.41119084654931],["c1ccc(=O)[nH]c1",-11.411260099350525],["c(S(N)(=O)=O)c3)",-11.411353357491349],["▁CCC[C@H]1CN(",-11.411381479278129],["c1nn2c(=O)",-11.411513143029724],["\\c(O)c(O)\\c1=N/C",-11.411547140301844],["▁O=S",-11.41160325392654],["▁CCC(=O)Nc1cc",-11.411777657471792],["4)c1",-11.411792629775633],["▁O=C(NCCCN",-11.411925390260247],["[C@@]43",-11.411936045216576],["CCCCCCCCN",-11.412045794941752],["▁O=C(Cn1ncc2c",-11.412130121475665],["▁CCOc1nc",-11.412160374262406],["▁O=C(O)c1c(O)c",-11.41216194518671],["C#CCO)",-11.412327913614016],["cc(-c2ccccc2)on1",-11.41244968032754],["▁Cc1ccc(N=C(S)",-11.41256342142573],["c1cncc(-c2ccc",-11.412645984659708],["N(C)c2ccccc2)",-11.412759097509884],["(=O)NCCC1=CCCCC1",-11.41280077983987],["(c1ccccc1)C1CCN(",-11.412881324406731],["c(C(=O)OCC)c1C",-11.4129435816722],["(c1cncnc1)",-11.413016425252382],["▁C/C(=C1/",-11.413062683195545],["4c(c3",-11.413081418207875],["3CC3)",-11.41308400073796],["nc(N)c12",-11.413211733712677],["▁CCn1cc(C(=O)NC",-11.413325921626305],["c2ccc3[nH]ccc3",-11.413357843338463],["c1cccc(N(C)C)c1",-11.413391305292516],["CC(C)N(C)C",-11.413484211570651],["c(O)c2c(=O)",-11.413536911335092],["cc(OCC(=O)O)",-11.413623844640671],["(-c3ccccn3)n2)c1",-11.413687492698484],["c(=O)n1O",-11.413746561769708],["CS)C(N)=O",-11.41387833351439],["C(=O)N1CCCCNC",-11.41391679680992],["c1ccccc1-n1c",-11.4139574214074],["▁COC(=O)NC",-11.413976966687208],["C2CCCCC2)nc1",-11.414086243327109],["(CP(=O)(O)O)",-11.414089967096317],["c3c(c21)",-11.414097779741642],["▁C=CCC(N",-11.41413237005933],["c(N2CCC(C",-11.414247934457366],["[C@@]3",-11.414282536544365],["c1cc(C)ccc1O",-11.41430146105882],["/C(N)=C(/C#N)",-11.414517009971291],["2)C1(C)C",-11.414597874761585],["C(=O)Nc2cnn(C",-11.414643623532296],["c(NCCCN3CCOCC3)",-11.414653542791068],["NC(=O)CCN",-11.414671310106463],["▁c1ccc(-c2nc",-11.414678914973628],["CCCN1Cc1ccccc1",-11.414689426717786],["▁CSc1nnc(C",-11.414722944876726],["nc5",-11.414859640526052],["[C@@H]3C[C@H](",-11.414989481518804],["@H](O)[C@H](O)",-11.41502260617731],["sc2C)cc1",-11.415110116120015],["▁Cc1ccc(-c2nnc(N",-11.415123215658705],["c3ccccc3)nn2)",-11.415185855945928],["ss",-11.415209209965653],["c1ncnc2[nH]ccc12",-11.415215774231829],["c2)C12CCN(",-11.415231277150932],["[C@@H]1CC=C2",-11.415371088370232],["▁CCN(CC)c1nc",-11.415417979918251],["c1c(O)nc(SC",-11.415476642787146],["▁N[C@@H](C(=O)O)",-11.415559778632415],["C(O)(c3ccccc3)",-11.41568255364821],["N=C2SCC",-11.415774359508656],["c2cccc(OC)c2)CC1",-11.415845617483818],["n(Cc3ccccc3Cl)",-11.416007573190074],[")C1CCCCN1",-11.416086897167991],["N2C(=O)c3cccc4c",-11.416096133498034],["▁Cn1c(SCC(=O)",-11.416098137342711],["C=N\\",-11.41619685144716],["C2CCN(C(=O)c3cc",-11.416306607285284],["▁C[C@@]1(c2cc(N",-11.416394507434802],["c1cc2c(c",-11.416434909504927],["[C@@H](O)CC(=O)O",-11.41671104479286],["c1cccc(CN)c1",-11.416739326785798],["▁CCOc1nc(N",-11.416751959853272],["-c1ccccc1Cl",-11.416753504314798],["C(=O)N(Cc2cccs2)",-11.416912478566202],["n2c(-c3ccco3)n",-11.416921628508172],["▁NCC(",-11.417025333531964],["▁Cn1nccc1C(=O)N",-11.41704725532638],["nc(CN(C)C2CCN(C",-11.417123397943088],["/C(=N\\Nc1ccccc1)",-11.41723726225172],["c2nccs2)n1",-11.417243856068188],["c1ccc2cc(O",-11.417281092731656],["[nH]3)c2)cc1",-11.41739327686903],["▁CCCCn1c(SC",-11.417398353846906],["▁CC(C)n1c(=O)",-11.417426947768831],["c2cc(Oc3cc",-11.417559815966564],["c2nc(O)c(O)nc12",-11.417711424594318],["N1CC[C@@H]2",-11.41772787115472],["c3ncc(F)cn3)",-11.41777769105282],["▁CC1=C(C#N)",-11.417794521151375],["/C=C1\\SC(=S)N",-11.417911889986732],["c(-c3cccs3)c",-11.4181892451904],["c(-c2ccccc2)c(O)",-11.41828222856169],["c2nc3c(cnn3C",-11.418392013979927],["c(Cl)c2)on1",-11.418420479758044],["▁CCC1=C(O)c2c(oc",-11.418486181156972],["OCC1(CO)C/C(=C/",-11.418556247901364],["c1ccc(/C=C2\\",-11.418567328070896],["▁CN1CCC/C1=N\\",-11.41860928271663],["▁C/N=C(/N",-11.41862659142956],["Cc1ccc(C(=O)NC",-11.418751804089831],["▁COc1cc(-c2ccc",-11.418960498193666],["c2ccc3nsnc3c2)",-11.41896281097778],["c(C(=O)Nc2ccc",-11.418978669808284],["c(=S)[nH]1",-11.418982370326232],["/N=C/c1cccnc1",-11.418996466027766],["[C@]1(C)CCN2C",-11.41901275962526],["nn2c(C)c1CCC(=O)",-11.419036725827706],["c2ncn(C(C)C)c2",-11.419140589317772],["2Cc3cccnc3C2)cc1",-11.419244242975594],["C1=C(N)C(=O)",-11.4193506428667],["c2c1sc1ccccc12",-11.419395312190035],["[C@@](CO)(",-11.419397140856006],["[C@H]3C2)c1",-11.419493678480656],["2CC[C@@]3(C)",-11.419545311821809],["c1ccc(/C=C2\\CCC",-11.419594263164557],["c2ccc(OCc3ccc",-11.41959742048088],["CCSc1ccc(Cl)cc1",-11.419611852991869],["▁Cc1cccc(N=C(S)N",-11.419706162144148],["(-n3ccnc3)cc2)",-11.419770169565911],["N(c2ccc(N3C",-11.419790036270836],["NC2(CCCCCC2)C1=O",-11.419919381668002],["N(C)C(=N)N",-11.420037943978944],["c3ccnn3C)",-11.420178448159238],["cc1C21N=C(N)N(C)",-11.420197087157248],["OCC1CO1",-11.420217670254733],["nnc(-c2ccco2)o1",-11.420254979274318],["c(C(=O)O)c3",-11.420285528780491],["▁Nc1ccn([C@H]2C",-11.42029238623818],["NC(C)=O)cc2)cc1",-11.420429910831375],["▁O=c1[nH]c(-c2cc",-11.420542574372153],["▁O=c1c2cccnc2",-11.420649664516134],["c2cc(N)ccc21",-11.42072906936706],["c1cc(Br)cc(Br)c1",-11.42083366629211],["▁Cn1ccc2c(",-11.420834065730531],["C(C2CC2)C2CC2)",-11.42101525253908],["▁O=C(C1CCCC1)N1C",-11.421024093570852],["c(/C=C3/",-11.421103351964346],["▁CNCCN1CCC(",-11.42120546070342],["OCCCO4)",-11.421372448815957],["CC(C)(C)C3)cc1",-11.421378583168012],["2CCOc3ccccc32)",-11.421386559626988],["▁COc1cc2[nH]c(C)",-11.42144502193],["n3cnnn3)",-11.42149643611408],["▁CC(=O)c1n",-11.421554501340951],["C(C)NC(=O)N",-11.421570867025304],["c(=O)n2C)c1",-11.421663274212708],["▁COC(=O)CCCCC",-11.42175643134884],["C1CCCC1)C2",-11.421840341184415],["▁[Cl-].",-11.421868799103311],["c2cccc(CO)c2)",-11.421869057084365],["c1cc(-c2ccccn2)n",-11.421903399457896],["=C2N",-11.421917439367448],["CCSCC1",-11.42193484280738],["CCN1CCOCC1)N",-11.421971703926271],["NC1CC2CCCC(C1)N2",-11.4220415930569],["-c1cccs1",-11.422085705531655],["CCO)n1",-11.422141985191878],["/C(N)=N/O",-11.422193563396412],["c1nc(C)nc2c",-11.422395048719224],["4[nH]ncc4c3)C2)c",-11.422498390208151],["N3CC(C)CC(C)C3)",-11.422550323623454],["c(C)c34)",-11.422612020320964],["=N\\O)",-11.422681716848537],["/C1=N/NC(=S)N",-11.422781223887558],["N=C2c3ccccc3",-11.42278946418789],["n2cncn2)CC1",-11.422802421824429],["▁O=C(O)C[C@H](N",-11.422956447898418],["O)nc1-2",-11.423044056878156],["c(C(=O)O)cc12",-11.423150065268253],["N(CC(N)=O)C",-11.423167216488784],["C=C(OC)C1=O",-11.42336726631964],["cc3)o2)",-11.423420982773548],["▁CCOCCn1c(",-11.423635149631783],["C1)C2(C)C",-11.4236864485794],["5)cc4)",-11.423771148733344],["c(C3CCCN3)",-11.423881682145868],["ccc1-n1cn",-11.423933129061764],["c(C)cc21",-11.424052539403018],["c(-n2nn",-11.424068127264722],["c(=O)oc2cc1O",-11.42411760355462],["NCC(=O)N/N=C/",-11.424138649159923],["[C@H]1CCCC",-11.424272620890369],["nc(N=C(N)N)",-11.424343598302896],["nnn1-c1ccccc1",-11.424507806994477],["nc2c1CCCC2",-11.424564120763073],["N)C1",-11.42464992901161],["C3CCCCC3C2=O)",-11.424717730013995],["C2(N3CCCCC3)CCCC",-11.424741332967557],["/C=N/NC(=O)c2ccc",-11.424815929497743],["c4ccc5ncccc5c4)",-11.42490341217777],["(C#CC1CC1)",-11.42494008346336],["c1cc(O)n",-11.42494187208612],["(-c4ccc(C#N)cc4)",-11.4249980077554],["c2cc(C)ccc2C)cc1",-11.42509335671731],["c2noc(C)n2)",-11.425234212143248],["C(=O)C=C3",-11.42538036877219],["▁Nc1nc(=O)",-11.425442954837823],["CC[C@H](C1)N2C",-11.425459785972928],["c2nc3c(cc2",-11.425662990052404],["CCCC4)c1",-11.425683318797995],["C[C@H]1N1CCC(",-11.425718242159288],["SC2=S)",-11.425916293002508],["C(O)C(O)C(=O)O",-11.42603830038808],["CC[C@]3(C",-11.426088424317772],["C(O)CNC(C)C",-11.42619777616198],["N(C)S(C)(=O)=O",-11.42621295488464],["C(=O)C1CC(=O)N",-11.426306813579812],["c1ccc(C)c(Cl)c1",-11.426440027914431],["▁Cc1cnc(C)c(",-11.42649162999194],["3CCCC3)cc2)",-11.4265610443103],["C(c1ccc(C)cc1)",-11.426589127756214],["c2ccc(N)cc2)c1",-11.426738575306867],["c2)C(=O)O1",-11.42675228947067],["c2nnc(-c3ccccn3)",-11.426889040746884],["c2=O)c(C)c1",-11.42692129062446],["c1c(O)cc(O)c(",-11.426960337701926],["NC(=O)C3C",-11.427022719229427],["N2CCCC2)s1",-11.427037022843686],["/N=C/C=C/c1ccc",-11.427049389443397],["3c(c2)CCC(=O)N3)",-11.4270663327295],["▁CC(C)(C)C1CCC(",-11.427137919214749],["N1C(=O)OC",-11.427175997303166],["-c3cccc4ccccc34)",-11.427314322880015],["c2ccnc3cc",-11.427363894129911],["/C2=N\\O",-11.427466388260289],["▁Cl.NCCCC",-11.427554097556342],["c1c(O)noc1",-11.427613587351455],["C(c2cccc(F)c2)",-11.42762212868693],["nc3c2cnn3C)",-11.427716618035982],["c2cccc(Cl)c2)no1",-11.427871469508013],["▁CCOc1ccc(CCN",-11.427904749910969],["▁O=S1(=O)CCC(",-11.427904754765937],["[C@@H]3c4ccc(O)c",-11.428027002435826],["▁O=c1nc",-11.428104489669238],["c3c(n2",-11.428185515420664],["▁N#Cc1c(O)n",-11.428233452878656],["4c5c(",-11.42827853539924],["c2cccc(Cl)c2)o1",-11.42828766306117],["cc23)cn1",-11.4283687862528],["(NC(=O)OC)",-11.428431839197003],["c(-c4nn[nH]n4)c",-11.4284534341967],["[C@H]2c3ccccc3C",-11.428473041505216],[")c1ccc(OC2CN(c3c",-11.428473347182752],["C(N)=O)N1CC(",-11.428555262602927],["▁CO[C@@]12C",-11.428563765443174],["(-c3ccccc3)cc2n1",-11.428600019861811],["cc3C2)cc1",-11.428642318157898],["▁c1coc(CN",-11.428687380108055],["▁O=C(O)C1CCN(",-11.428732760009202],["c2cccc3o",-11.42876705473834],["c2cccnc2)nc1",-11.428999986709428],["c3cccc(OC",-11.429120070594518],["3)CC2)n1",-11.4291289966627],["c(OC)cc1O",-11.429163465896009],["C(=O)Nc1cc2c3c(c",-11.429184566700004],["OC(CO)C",-11.429216593494598],["▁CC(C)(C)C1=C",-11.429224900958694],["=CC(=O)C=C",-11.429281903990974],["[S",-11.42936241832077],["Cn1cnc2c(cnn2",-11.429405567090273],["▁CCOc1cc(CNC",-11.429419146998171],["C2(CCCCC2)C1",-11.429489289412764],["▁Cc1cc(OCCC",-11.429543084365044],[")NCCN1CCOCC1",-11.429620090663848],["▁C#CCN1C(=O)",-11.42978952749358],["(O)c2c(=O)c",-11.429817772238977],["N2CCC2(C)C(=O)N",-11.430030475727344],["▁COc1cc2oc(=O)c",-11.430041246900776],["c1cc(C)ccc1OC",-11.430043971403832],["S)N",-11.430045376983456],["oc3cc(O)ccc23)",-11.430119505993588],["▁N#Cc1ccc2[nH]c",-11.430143900172345],["NCC(c1ccco1)N1CC",-11.430165799718424],["▁CN1C/C(=C\\",-11.430207617977825],["C2NCC",-11.430244113345196],["C4CC4)cc3)",-11.43035511294562],["n2nc(COc3ccccc3)",-11.43036253026755],["N(CCCN(C)C)",-11.43044171122278],["(C(C)(C)C)cc2)c1",-11.430444918290664],["(=O)oc2ccccc21)N",-11.43046480535256],["N1CCC2(COCc3c",-11.4306228393327],["NS2(=O)=O",-11.430629861776204],["▁CN(C)CCC(",-11.43067294493887],["▁Cc1c(-c2ccc(",-11.430682465873389],["CCNc1ncccn1)",-11.430683510146906],["c3ccccc3)cc2o1",-11.430693758101803],["c2nc3c(s2)C",-11.430744045688211],["[C@H](n2cn",-11.430800046620853],["[C@@H](O)C[C@H]1",-11.430890611373364],["-c2ccc(Br)cc2)o1",-11.43102235703401],[")Nc1ccc(F)c(F)c1",-11.431217532299607],["[C@]43",-11.431219071460196],["▁O=C(Nc1ccccc1-",-11.431236217254927],["▁O=C(Nc1cc2cc",-11.431297637918624],["N2CCc3c([nH]c4cc",-11.431307263834844],["nc1C(F)(F)F",-11.431335505738373],["▁COC(=O)c1sc",-11.43134650125933],["▁O=C(CC1CCCCC1)N",-11.431362531680689],["▁O=C(CCC1CCCC1)N",-11.431411356290551],["CSc2nncn2C)",-11.431439401438595],["C(=O)N(Cc1ccco1)",-11.43145232640743],["c2nc3sc",-11.431520664138564],["C(=O)N1CC2",-11.43158891946947],["N2CCc3ccccc32)c1",-11.431667390410947],["▁COc1ccc2c(=O)c(",-11.431708144944627],["▁NCc1c",-11.4317701745362],["C(=O)NCc2cc",-11.43179628459485],["▁CCn1nc(C)cc1",-11.4318580242365],["CC[C@H](C1)N2",-11.43190329169469],["c2snnc2C)",-11.431921912763436],["▁CC(C)N1CCN(C",-11.431942047488755],["cc2Cl)nc1",-11.431944896879772],["NC(P(=O)(O)O)",-11.431978388833803],["C[C@]2(C[C@@H](O",-11.432105557955824],["CC(=O)[C@@]4(C)C",-11.432217111376232],["c(Cl)cc23)C1",-11.432264489017015],["(NC(=O)CCl)",-11.43227126185095],["1CCN(C2CCCC2)CC1",-11.432273464596491],["▁COC12",-11.432364832194338],["c4cccc(OC)c4",-11.432380609577566],["▁COc1cc2cnc",-11.432413820058928],["▁c1cnc(N2CC",-11.4327042219415],["c2ccc(O)cc2)N1",-11.432714067333611],["C1COc2ccccc2C1",-11.432792673977952],["[C@@H]23)cc1",-11.432878141182078],["NC(N)=N",-11.43292719552816],["▁Cc1nc(N2CCCC2)",-11.43296041655477],["(OC(F)(F)F)c",-11.433154051918963],["c1cccc(Nc2ncnc3c",-11.433283895739311],["2nc3ccccc3n2c1",-11.433347131161668],["C2SC1",-11.433537303193177],["C3)cc1Cl",-11.433539350530404],["[C@H]2[C@@H](C1)",-11.433590053538218],["C1C2CCC(C2)C1",-11.433611525074848],["[n+]1ccc",-11.433639397193527],["CCCCN=C=S",-11.433657926644257],["c(O)c1Cl",-11.433675703480777],["cc2O)c1",-11.433700782782523],["C1=NCCS1",-11.433707814453992],["C(C)(C)C)cc2)cc1",-11.433708916859771],["c2c(Nc3ccc",-11.433779456390369],["▁CN(O)C(=O)C",-11.433808707339676],["c2cc3c(cc2c1",-11.433823872009862],["c2nc(N)nc(N)c2n1",-11.433833773512552],["▁Cc1nc2n",-11.433918981678374],["▁c1nc",-11.433996221866831],["▁COc1ccc(-c2cn(C",-11.43411971471386],["3)ccn1",-11.434177801195684],["cccn2c1",-11.434198022735602],["c2cccc(F)c2)cs1",-11.434226970233103],["(C4CCCCC4)",-11.43426371719174],["ccn23)",-11.434288817738263],[")Nc1cccnc1Cl",-11.434403202321764],["▁Cc1ccc2[nH]c(-",-11.434406219458811],["▁CC(C)c1cc(N",-11.434448983821722],["Cn1nc(-c2ccc(Cl)",-11.434484789164667],["c1c(C)cc(C)",-11.43453873702956],["C(=O)COc2ccc",-11.434565816807172],["CCCOc1ccc",-11.434579641736482],["▁CC(=O)OC1CC",-11.434630601204924],["▁COC(=O)c1cc2c(",-11.43480906829778],["Cc2ccccc2)cc1OC",-11.434884754133696],["c(NC(=O)c4ccco4)",-11.435049629531791],["C4)C3C2=O)cc1",-11.43512610473514],["c(-n4cc",-11.4351898493027],["n1c(SCC(N)=O)n",-11.43521662516878],["[nH]c1/C=C1\\",-11.435349332417571],["(C)n3",-11.435404783420449],["CCCCC[N+](C)(C)C",-11.435419480544788],["N(c2ccc(C#C",-11.435452820848813],["▁c1coc(-c2c",-11.435455901248789],["CS2)",-11.435602404471924],["c1cccc(-c2csc(N",-11.435650080274348],["S(=O)(=O)Cc2ccc(",-11.435752151703149],["OC1c1ccccc1",-11.435769752716844],["c1ccc2c(ccn2",-11.435836211660751],[")n1nnc2ccccc21",-11.435909773365765],["c2cn(-c3cc",-11.435935806395031],["(-c3ccccc3)c",-11.435999173034626],["c(=O)c2c(=O)",-11.436045456213222],["▁N#C/C(=C\\c1ccc",-11.436063478200602],["▁C[C@H]1N",-11.436112845303809],["o2)SC1=S",-11.436184245185464],["▁CSc1ccc(C(=O)",-11.436216666489054],["(C2C",-11.436327401944236],["CCCCCCCC)",-11.436476302759262],["CCCn1cc",-11.436645362225452],["(N2CC2)",-11.436716113622476],["OP(C)(=O)",-11.436761266931214],["CCN=C(N)N)",-11.436788673741408],["▁O=C(O)CCN",-11.436829130208],["c1ccc(-c2cn3cc",-11.436863535849447],["c1ccc2nc3ccc(",-11.436884758792372],["NC1c1ccccc1",-11.436902638739046],["▁Cc1ccc2c(c1)c(",-11.43696484816844],["[o+]",-11.43696795877659],["O)nn2)cc1",-11.43705582734056],["C(=O)/C1=C\\N",-11.437259561317749],["c3c(N)ncnc32)C1",-11.437267775150763],["C(=O)N1C=C(",-11.437275319998284],["CCN1CCOCC1)c1cc",-11.43728249307101],["cn1-c1cc",-11.437310148094252],["c2c(C)nn(C",-11.437339275229514],["[C@H]1CCC2C3C",-11.437380426615434],["[C@H](C)[C@@H](O",-11.437390331138731],["c(C(=O)O)c2c1",-11.43741375978171],["nc(-c2ccco2)n1",-11.437419431128935],["/C=C(\\Cl)",-11.437480494559615],["c1ccc(-c2nc(C)c(",-11.437498330762905],["c(-c3cccc(Br)c3)",-11.437655960437844],["N2CCCCC2)o1",-11.437711024581889],["CCOc3ccccc3)",-11.437828626037696],["[n+]1ccc(/C=C/c2",-11.437843462743883],["CCC2=O)",-11.437880952240729],["▁NC(=O)c1cccc2",-11.437944756163406],["▁Oc1ccccc1-c1c",-11.438026615370816],["OC(F)(F)F)cc1)C2",-11.43804009167761],["C2CC3C=CC2C3)",-11.438082212176896],["[C@@]24OO3",-11.438083803401312],["c4ccc(Br)cc4",-11.438090150264015],["C2=C(CCCC2=O)",-11.438220280153832],["c2cc(O)c3c(c2)",-11.438301992004677],["[C@@H]3CC[C@H]2",-11.438303735791056],["c2ccccc2)cc1=O",-11.438304537045884],["c3cc(Br)ccc23)",-11.438363743759048],["▁CNc1ccc(-c2n",-11.43836511250902],["O)cc1F",-11.438374012087811],["C(C(C)=O)=C2O)c",-11.438456702700227],["/C2=N/",-11.438472055738115],["▁O=C(O)CCc1n",-11.438483828543864],["[C@H](C)[C@H]2",-11.438499722861884],["▁C=CC1=C(C(=O)N",-11.438536601829098],["CCc1c(C)",-11.43854570161659],["nc(C)c1C",-11.438555274868769],["OC(=O)/C(C)=C/C)",-11.438598437147409],["▁N#C/N=C(\\NC",-11.438614284218316],["C2=O)cc1F",-11.438683538797104],["(CCCl)",-11.438730453068322],["C[C@H]2N1C",-11.438766448894867],["[n+]2C)",-11.438775315516912],["c3nnc(C4CC4)o3)",-11.438794342441666],["c2ccc(-c3cs",-11.438887187054329],["n1ncc2c(=O)n(C",-11.438903698733467],["c1cnccc1-",-11.438964986982649],["C(C)(c2ccccc2)",-11.43902690018425],["[N+]1(C)CCCCC1",-11.439028812902166],["(CCCC(=O)O)",-11.439058104627758],["C(C)C)c2c1",-11.439092623334185],["c2nccn12",-11.43911967979821],["2Cc3ccc(F)cc3C2)",-11.439139225564173],["C(C)(C)n1nnnc1C(",-11.43914207918267],["▁Cc1cccc(CN2CCN(",-11.439196329596632],["N1CCc2ccccc2C1)",-11.439269248369408],["[C@H]3[C@]4(C)CC",-11.439289039384466],["C(CCO)C2)cc1",-11.439364676066996],["c2cc(-c3ccccc3)o",-11.4394172739531],["N)c(C)c1",-11.43947249775358],["[C@H]1CC(C(=O)O)",-11.439482114356569],["▁O=C(NC(C",-11.43964086445986],["▁CC(CCc1ccc(",-11.43981231876094],["c(COC(=O)NC)",-11.439836646946851],["c3c4c(c",-11.43985887057967],["NC(=O)/C2=N\\N",-11.439955866849216],["▁Nc1cccc(-c2c",-11.440017362927744],["▁Cc1cc(NC(=O)c2c",-11.440095851506992],["▁Cc1csc2nc",-11.4401079217472],["▁Cc1ccc(N2CCN(C",-11.44018117888767],["c3c2Cc2ccccc2-3)",-11.440196407818949],["▁O=C(Nc1ncc(",-11.440230773460678],["c2cc(OC)ccc2c1",-11.440376522034434],["cnc2c1N",-11.440436772368002],["CN(C2CCCCC2)",-11.44044759249985],["c2S(=O)(=O)N1",-11.440569375751496],["(-c3ccncc3)nc2c1",-11.440570892742969],["▁CN1C(=O)C(=CN",-11.44061833005988],["▁CN(CCO)C",-11.440783126664783],["▁Cc1ccc(C#C",-11.440808219104245],["/C=C2\\SC(=S)N",-11.44085097621134],[")[C@](O)(Cn1cn",-11.440925331505513],["▁CCCCc1ccc(-c2n",-11.4410105899675],["▁Cc1ccc(C2(",-11.441144693852422],["C(=O)N=C(N)N)",-11.4411801895889],["c(Oc3ccc(Cl)cc3)",-11.44119647738244],["CO/N=C1/",-11.441261792250655],["c1cccc3c1",-11.441317495247697],["C1(C(=O)OC)C",-11.44132247747534],["c2c(cnn2C)",-11.441365573853862],["/C(=C(/C)",-11.441378392686817],["c2c3c(nc4cc",-11.441424307263253],["▁Cc1ccc2c(c1)C1(",-11.441427843468883],["C1(CCN(C(=O)",-11.4415332806714],["C(=O)N4CCC3)",-11.441700907637104],["c3cc(F)ccc32)cc1",-11.441719080024294],["[C@@]5(C",-11.441748926716665],["(CC2CNC2)",-11.441765994812233],["N=C(N)N(C)C2=O)c",-11.441800930033477],["▁O=C1Cc2ccccc2N1",-11.441840106335867],["C(C1CC1)",-11.44190298328818],["C3=O)c2c1",-11.44200236279967],["C(=O)Nc2ccc(F)c",-11.442089969016957],["c(OC)c(O)c",-11.442213633471042],["CSc2nc3ccccc3n2C",-11.442307120417816],["C1(C)CC(=O)C=C(",-11.442321738238736],["c1ncc[nH]1)",-11.442372835570726],["-4)",-11.442460153151114],["▁O=C(CCCCCO",-11.442527895569068],["▁Cc1c(C)n(C",-11.442608552682737],["▁O=C(O)[C@@H](C",-11.442642061894244],["c3)cs2)CC1",-11.442688038105072],["c(C#N)c2c1C",-11.44270128550911],["c2c(F)cccc2c1=O",-11.442795536620585],[")c1ncco1",-11.442816441866254],["F)c2n1",-11.443093515559053],["3)o2)c1",-11.443238368110473],["n2nc(C)cc2",-11.443251024750298],["c2ccccc2)c(O)n1",-11.443393992604747],["▁CC(C)CN(CC(C)C)",-11.443450084998604],["-c2nc(N3CCOCC3)",-11.443533937551354],["c1ccc3ccccc3c1",-11.443726760851913],["c2ccc(C(=O)N3CCC",-11.44375010247691],["nn2-c2ccccc2)c1",-11.443833597617893],["C/C(C)=C\\C",-11.443905252158],["▁CN(C)c1nc(",-11.443927073412665],["Cn2nnc(C(=O)N",-11.444081916131577],["c1ccc(-c2csc3ncn",-11.444154243328418],["▁NC(=O)CSc1n",-11.444312828220234],[")=NO",-11.444344321932205],["▁COC(C)",-11.444549390462164],["NC(=O)CSc2nccn2C",-11.444550139779595],["c2cc(Cl)n",-11.444593769793258],["c2c(C)noc2",-11.444632299670856],["Nc1ncc2c(n1)",-11.44466998552008],["N=C(N)N1",-11.444795917685305],["▁Cc1cnc(N2CC",-11.44505060950518],["2c3c(c(=O)oc2c1)",-11.44510409847438],["CSC(=S)NC",-11.44517575444301],["(C(=O)c2cccs2)",-11.44523266206265],["CCC(=O)O1",-11.445256859533083],["n3)cc2)CC1",-11.44533516042552],["nc3ccc(Cl)cc23)",-11.44539414549207],["c2c3c(ccc21)",-11.445487852672864],["C2=[N+]([O-])",-11.44562609242237],["▁CN(C)C1C",-11.44564657828052],["C(=O)c2c[nH]c3cc",-11.44569518927109],["n(C)c(=O)n3C)n2",-11.44576802228794],["[C@]1",-11.445807703819078],["c1cc(C(O)CN",-11.445865326902094],["CC3)nc(N)c2cc1OC",-11.44594531290096],["C(=O)c2ccc[nH]2)",-11.446007908248395],["C[C@@]1(C",-11.446100701176537],["c(C(F)(F)F)c2)o1",-11.446145630873776],["nc2nc(N)nc(N)c12",-11.44617505566476],["c2c(N)cccc2",-11.44621921185042],["/N=C1/CC",-11.44623445467072],["C(=O)COc1ccccc1",-11.4462570482212],["([C@@H]3CNCCO3)c",-11.446301215406436],["C3=O)N1",-11.44633217927224],["[C@@H]1CCNC1",-11.446358354722076],["C(C(F)(F)F)=N",-11.44645033860828],["NC(=S)NC2",-11.446488271842863],["c(C(C)(C)C)c1",-11.446506929077849],["c2cccc(F)c2)s1",-11.44659263652049],["c3ccccc3)C2)CC1",-11.44661251162686],["c(C(=O)NC3CC3)",-11.446682892408274],["oc2cccc(O)c12",-11.446780492935352],["NC(N)=S",-11.446800004910973],["c2cccnc2)cc1OC",-11.446814628529992],["n(C(C)C)c(=O)",-11.446892105632193],["▁CCN(C(=O)c1c",-11.44692738807284],["ccc3O)",-11.446980542630728],["2)OCO4)",-11.447059203446296],["[C@@H]1N2C",-11.447360492856705],["n1-c1ccc",-11.44738692919668],["▁COc1cc(O)cc(",-11.447488673170708],["C(c2ccc(O)cc2)C1",-11.44758700211284],["(OC(F)(F)F)cc2s1",-11.447606755980882],["▁CCC(C)(C)C(=O)N",-11.44760985129147],["N(C(N)=O)",-11.447644120604496],["▁C[C@]12C[C@H](",-11.447843760631358],["CC(=O)C2=C(C1)O",-11.44788072384608],["c1ccc2[nH]c(C",-11.447990802486917],["▁O=C(/C=C(\\O)",-11.448174343461448],["c2c(C)cccc2C)cc1",-11.448259330380738],["NC(=O)N(C)C",-11.448394856399482],["C(=O)N1c1cc",-11.44845220495081],["NC1CC(=O)N(",-11.448463303563896],["▁COc1cc(F)c(",-11.4485062514487],["(OC(=O)CC)",-11.448625600039811],["c1c[nH]c2ccc(C",-11.448695539365149],["N3CCCC3=O)",-11.4487592655797],["Cn3cnc4ccccc43)",-11.44891479003982],["CCCN3CCOCC3)",-11.44894839582637],["CCCO[C@@H]21",-11.448971576995715],["C(C)N(C(=O)",-11.449078701612285],["[C@H]2[C@H](CCN2",-11.449086751100412],["c2nnc(S)n2-c2ccc",-11.44917649866128],["cc3)C2)cc1",-11.449192131708532],["c2ccccc2Br)c1",-11.44925798474452],["cc2[nH]cnc12",-11.449263011083914],["(C)cc2)n1",-11.449264962643586],["▁C/C(=N/Nc1nc",-11.449266199912865],["Nc2ccc3c(c2)ncn3",-11.44934185672269],["CSc2nnc(N)s2)",-11.449355534516492],["Cc1cnc(Cl)s1",-11.449404964778203],["c2ccsc21",-11.44943177793638],["=C(OC)C2=O",-11.449484843046948],[")OO[C@]1(O2)C2CC",-11.449509621876777],["/C=C2\\SC(=S)N(C",-11.44956594356398],["C(O)C(O)C(O)",-11.449658074373271],["c1cc(O)c2c(=O)cc",-11.449809525607227],["▁Cc1nccn1-c1cc",-11.449812154405622],["c(N3CCN(C)CC3)n",-11.44981667926364],["c(-n3cn",-11.449834495402492],["C(=O)[C@H](N)C",-11.449885339858833],["c1c(Br)cccc1",-11.450092884887695],["▁Cn1c(=O)c2n",-11.450210771781968],["▁Nc1n[nH]c2ccc",-11.45021909570791],["▁Cc1nc(N)nc(N)c1",-11.450244579955708],["OP(=O)(N",-11.450284647272188],["c2ccc3oc(C",-11.450354330351376],["▁Cn1cc(-c2n",-11.450372323498495],["c2ccsc2)n1",-11.450420966935564],["c3ccc(F)cc32)CC1",-11.450514239436131],["nc(O)c2C#N)cc1",-11.45051470191644],["nc2)cn1",-11.450518877133604],["c(-c2n[nH]cc2",-11.45085966607022],["(c2ccc(C)cc2)",-11.450907072723176],["▁O/N=C1\\CC",-11.450918086563796],["▁Cc1cccc(CS",-11.451084735678396],["▁CC(C)CCn1c",-11.451153957985309],["▁CC(C)=NN",-11.451187423900851],["▁NC(=O)COC(=O)",-11.451275540567844],["(Cc2ccccc2)C1=O",-11.451425161811631],["c2C)c(C)c1",-11.45143973664017],["▁CN(C)CCn1cc",-11.451479097334882],["c2ccc(F)cc2)c(O)",-11.451532861588882],["▁CCC(CO",-11.451589999813905],["▁Cc1cccc(C)c1CN",-11.451605223804393],["2)CCCC4",-11.45166163261916],["▁Oc1ncn",-11.451881704902842],["▁Cc1ccnc2nc(",-11.451954174074611],["▁NC(=O)C1(",-11.452167353882484],["c(C)n(C)c1C",-11.45219785946395],["NCC2CC2)",-11.45221069649876],["c2ccc(OC)c(",-11.452352837870764],["C(C)N)",-11.452364845118185],["N4CCCC4",-11.452452494685064],["▁C=C(c1cc",-11.452474304228282],["C(=O)N1c1ccc(",-11.45249655255257],["c(=O)c-2c",-11.452864060329407],["▁CCCc1cc(N",-11.452881378106389],["C2(CCCCC2)OO1",-11.45302998684247],["c3cc4ccccc4nc3",-11.453147828339988],["c1nncn1C",-11.453175867860043],["c1cccc(-n2",-11.453193623573831],["C1=CCOC1=O",-11.453294404347371],["▁Cc1nc(CN(C)",-11.453721731326864],["cc(C(=O)O)c3)",-11.45372360097764],["2NCCc3c2[nH]c2cc",-11.453741588624103],["c2cc(C(F)(F)F)n",-11.453794048763443],["c2ccc(O)c(C",-11.45380080568647],["[C@@H]2c3ccccc3",-11.4538901033446],[")Nc1ccccc1Br",-11.453948960901672],["c3ccncc3F)",-11.454002682432613],["C=C[C@@H](O)",-11.454002761397874],["▁C/C1=C\\CC[C@",-11.454050606962197],["c3nc(N4CCOCC4)",-11.454139934652469],["Oc1cncc(Cl)c1)",-11.454168221462576],["▁CC12C=C",-11.454171389608508],[")CC[C@]12O",-11.45422343903102],["c2cccc3c2CCCC3)",-11.454323855357224],["c3ccc(Cl)cc3F)",-11.454340855682029],["c2cc(-c3cn",-11.454454262961743],[")c1/C=N/O.[Cl-]",-11.454520034194084],["c2cccc(F)c2)no1",-11.454525180656765],["ccc1C(=O)O",-11.454544499749392],["▁CC(C)=CCCC(C)C",-11.454624237095167],["C(=O)N1CCCCCC1)",-11.45466272677374],["c3ccco3)CC2)c1",-11.454797041801548],["[C@@H]2[C@H](C",-11.454885865226952],["c1cccnc1)c1cc",-11.45502974134422],["H](CO)[C@@H](O)",-11.45511135469296],["C1CCN(C(=O)NC",-11.455374124001972],["▁Cc1ccc2nc(SC",-11.455483355582398],["▁Cc1cc(C(C)(C)C)",-11.455500783690653],["c(C(F)(F)F)cc3)c",-11.455553371366042],["/C=C\\C/C=C\\C=C\\",-11.455579485012422],["c3cccs3)C2)",-11.455626043105957],["▁C=C1[C@H](O)",-11.45563651140406],["c3ccccc3c1=O)",-11.455649762808468],[")c1ccccc1S2",-11.455668091831726],["▁CC(C)(C)CN",-11.455714032770636],["c1ccc(NCc2ccc",-11.455853979376132],["c1csnn1)",-11.456034462332852],["C(=O)NCCN(C)C",-11.4561512413273],["OC(C(=O)O)=C",-11.456162848933406],["cc2c3ccccc3n(C",-11.456179915688844],["▁O=C1c2cc3c(cc2",-11.456207286516031],["▁CCc1ccccc1-",-11.456210569461229],["(C(=O)O)O[C@H]1",-11.456245619158889],["n4ccnc4",-11.456262023135393],["OC(CO)C(O)C",-11.456283750794904],["n3c2CCC3)cc1",-11.456320179625587],["c3ccccn3)C2)",-11.456331151952885],["c3cnc(N)nc3",-11.456436333124],["N1Cc2c(",-11.456551575511384],["c2cc(Cc3ccccc3)",-11.456630961277895],["NCC1COc2ccccc2O1",-11.456676746673908],["c2ccc(O)cc2oc1=O",-11.456705001801549],["Cn1cc(-c2ccc",-11.456734418152896],["CN1CCC2(CC1)OC",-11.456740793018884],[")CC(O)=C1S",-11.45678787596289],["CN4CCC",-11.45693086311837],["SC2=N",-11.456972276554392],["#Cc1cnc(Oc2ccc(O",-11.457048995557448],["(-c3cccnc3)n2)c1",-11.457097408073526],["CN(C)C.Cl",-11.457101007174778],["c2ccc3nc[nH]c3c",-11.45732768626637],["c1ccc(CN)cc1",-11.457438510883954],["▁CCc1c(S",-11.45753516208264],["c2c(N3CCNCC3)n",-11.457612083205602],["-n2c(C)cc(C(=O)",-11.457655819783543],[")c(=O)c2cc",-11.457668190591882],["(S(=O)(=O)[O-])c",-11.457714788997986],["▁O/N=C/c1cc[n+](",-11.45775070376081],["N1CCc2c",-11.457758643410846],["▁NNc1n",-11.45782451449228],["▁CN1CCC(c2c",-11.457872584877729],["NCCCO)",-11.457895171561766],["c3nc(-c4cc",-11.457920971324054],["[nH]3)CC2)cc1",-11.457936030524774],["c(-c2nc3c([nH]2)",-11.457962248618642],["C(=O)C=CC3=O",-11.45796312650619],["c4cnn(C)c4)",-11.457978861607367],["M",-11.458081028002766],["▁O=C1C=CC2(C=C1)",-11.458081039441389],["C1)C[C@@H](C2)C3",-11.458081048868276],["2C3C=CC(C4CC34)C",-11.458082036449015],["c(/C=C3\\SC(=S)N",-11.458195610017055],["▁NC[C@H]1C",-11.458202469418396],["c2nc(C)cc(C)n2n1",-11.45821958376153],["c1cc2occc2n1C",-11.458292677577038],[")Cc1cccc2ccoc12",-11.458299435217729],["ncnc32)c1",-11.458306906524466],["c1cccc(C(C)C)c1O",-11.458368874352518],["C(=O)N(C)C(C)",-11.45841463879662],["C(=O)N(C(C)(C)",-11.458552492210526],["c(=O)c2c(O)c1O",-11.458555738043268],["n(C(C)=O)",-11.458563455404986],["c2cnc(O)nc2O)",-11.458619749378745],["▁C[C@H]1C(",-11.458631779055954],["oc3c2)cc1",-11.458698976602523],["n(-c3ccc(O)cc3)",-11.4587953135688],["c(-c4ccccc4)c23)",-11.458855694126186],["▁CN1CCCCC1C",-11.458904071864923],[")C1CCC(=O)N(C",-11.45892061343377],["▁CCCOc1c",-11.458934495390364],["N(O)C(N)=O)",-11.459020930765954],["c1ccc(Br)cc1Cl",-11.45909307525574],["=C2C=C",-11.459119518348912],["[nH]c(=O)n1O",-11.459146459028393],["C[C@H]2CS1",-11.459152977693629],["O[Si](",-11.459181043114857],["C(Nc2cccnn2)CC1",-11.459200521556856],["▁O=C(C(=O)N1CCN(",-11.459202047185284],["c(=O)c1n2C",-11.459206512254596],["C3(CCN(",-11.45929653543231],["CCCC4",-11.459322408468168],["CCN(CC3CC3)",-11.459364364961957],["N(CC3CC3)",-11.45941317500453],["▁COc1ccc(OCC(O)C",-11.459539838765684],["cc2C(=O)O)cc1",-11.459550455791032],["[C@@H]1CC=C(C)C",-11.459648360159214],["[C@@H](C)[C@H]1C",-11.45984740595005],["[C@H]2O)cc1",-11.459860391497292],[")=N/N",-11.459942545854284],["[C@H](C(=O)O)N(C",-11.459942590306444],["▁COC(=O)COc1cc",-11.460022704774255],["c2cccc(Cl)c12",-11.460046408137984],["c(CN2CCN(C",-11.460058711287951],["▁O=C1NC(=S)N(",-11.460068135808056],["▁NC(=O)c1cccc2c(",-11.46018916993881],["▁CC(CN)",-11.46019982647902],["(C3CCC3)ccc(-c3c",-11.460200097606553],["-c2nnc(-c3ccc",-11.46027539659218],["4CCCC4)c3",-11.460394217198592],["▁CC1(C)CC2(C",-11.460450067196314],["c2noc3c2",-11.460536933428854],["3c(cc2F)c(=O)c(",-11.4605395529644],["▁CN(C)CC1CCC",-11.460550148181206],["(OCC3CCCCC3)",-11.46056439928896],["▁Cc1ccc(OCCO",-11.460700779702128],["c1nncn1",-11.460752578967714],["cc2)co1",-11.460798150394885],["▁CC1=NNC(=O)C1",-11.46080098977514],["c3c2s1",-11.460835282722083],["[C@@H]1NC(=O)OC",-11.460856697338365],["3c(c2)OCCCO3)",-11.461036655189362],["2)N(C)CC[C@]314",-11.46109316511533],["c(C)c3cc12",-11.46110240009174],["▁CO/N=C1\\",-11.461198842902474],["▁COCC(=O)N1C",-11.46120500285966],["[C@@H]2CNCCO2)",-11.461223205870796],["[nH]c3c2)",-11.461332767668958],["NC(=O)CCc1ccccc1",-11.461403024652595],["c1sc2c(c1",-11.461433658629051],["c2nncs2)",-11.461512333320602],["(Cl)nc2c1ncn2",-11.46158023258163],["nc(C4CC4)",-11.461615370779532],["▁O=C1C[C@H](",-11.461636362329717],["▁COc1nc(N)",-11.461735043011638],["C)cc21",-11.461742650935282],["[C@H]2C)cc1",-11.461742911841815],["c(-c2ccc(Cl)s2)",-11.461774336882817],["3)C2)cn1",-11.461776554825338],["▁Nc1nc(N)nc(-",-11.461784681497814],["c2nn[nH]n2)cc1",-11.461832053022004],["5CCOCC5)",-11.462036311054815],["N(CCF)",-11.462036374356344],["C(=O)N1CCN(C)CC1",-11.462363034704945],["C(=O)N(CCC#N)",-11.46264957864392],["c(C(=O)c4ccccc4)",-11.462706140057165],["c2ncc(F)cn2)",-11.46281023786942],["▁C[C@@H](N)C",-11.462892867407138],["(NCCCO)",-11.463024911452823],["CN2CCC1C2",-11.463076058950914],["/C=C/c1ccco1)N",-11.46311057912256],["▁COC[C@H]1",-11.46317392564586],["c1nc(C)nc(N",-11.46331084613227],["▁COc1cc(O)cc2c1",-11.463325053781135],[")cc3)OO2)c",-11.4633552524083],["(CC(C)(C)C)",-11.463419664671182],["[C@H]2CCC[C@@H]1",-11.4634395764056],["(C(C)C(=O)O)",-11.46347541461525],["[C@H](CCO)C",-11.463548156475907],["CN4CCC3CC4)c",-11.4635515258095],["C1CNCCN1",-11.463774444761397],["▁CCOc1ccc2nc(",-11.463797210864069],["▁CC(=O)Nc1cccc(O",-11.463801513385356],["C2SCC(=O)N2C",-11.463850126753856],["C1(C)CC(=O)C=C(N",-11.463853579935677],["c2nnc(N)s2)",-11.463951974483953],["▁Nc1c(Cl)cc(",-11.463969387884498],["(F)c(F)c(F)c",-11.464076487292932],["n1cc(C(N)=O)c(",-11.464091659607211],["O2)cc1F",-11.464311120551766],["(CCCCC)",-11.46437145556034],["c3c(OC)cc",-11.46443544696228],["=[N+](C)C",-11.46448651728688],["n(CC(=O)O)",-11.46452488438477],["n(/N=C/",-11.464659143878748],["c(N2C(=O)",-11.46472539296439],["▁Cl.Cl.N=C(N)N",-11.464812803243223],["(-c2ccc(O)cc2)c",-11.464971501344367],["cc3[nH]2)",-11.465384618870711],["▁CCOC(=O)C(C)O",-11.46541941698364],[")cc1OC.Cl",-11.465462555080792],["N)cc1OC",-11.465463460611984],["C(=O)N1CCC(C)CC1",-11.465475005979904],["▁CC(C)n1cnc2c(NC",-11.465494623658415],["c1ccc2sccc2c1",-11.465625003008045],["Oc2ccccc2-n2cc",-11.465748361076203],["c2C(N)=O)",-11.465873741064897],["Cc2cc(=O)oc3cc",-11.46594289444075],["-c1ccnc2[nH]c(C3",-11.465951581163797],["N(Cc2ccco2)C(=O)",-11.466009785375814],["▁CCCCOC(=O)N",-11.466044810752775],["CN(Cc1ccccc1)CC2",-11.466102851085438],["▁O=Cc1cn(C",-11.466116480922231],["c(CCC(=O)O)ccc1-",-11.4661956240973],["c3ncccc23)cc1",-11.466308778005752],["/C(=C/Br)",-11.466408307186658],["(=O)c2cc3occc3n",-11.466453337412098],["▁CC1(C)[C@H](",-11.4665128419668],["c2c(NCCCN(C)C)",-11.46653348066708],["OC1(O",-11.4668227248326],["[C@H](C)[C@H](O)",-11.46694958025777],["NC(=O)[C@@H](N)",-11.467002106562669],["▁Cc1cc2c(s1)",-11.467130658090465],["c2cc1-",-11.467227516260015],["F)c(=O)n1",-11.46723440898437],["[C@]1(C)CC[C@H]",-11.467380166392726],["CC1CCOCC1",-11.467444393916573],["c2ccc(Cl)nn2)",-11.467506204783522],["c2ncccc2O)",-11.467562244013472],["▁CS/C(=N\\",-11.467581804608535],["N(C(=O)c2ccco2)",-11.467705974635123],["c1ccc(C2=C(c3ccc",-11.467780185012982],["c2cn([C@@H]3",-11.467797414705425],["▁COc1cccc(CN(C)",-11.467816703700644],["Nc1nc(C)",-11.46787725743995],["▁CCc1nc2c(OC",-11.468016706292694],["C[C@@H]2C(C)C)n1",-11.468043386385512],["▁CC(C)(C)c1cccc(",-11.468081594079424],[")C1CCCN(C",-11.468586816118188],["C[C@H]2C)",-11.46866517225595],["c1ccc(Nc2nccc(N",-11.468893974599606],["sc4n3)",-11.469151508566611],["(C4)C2)C3)s1",-11.46916116686538],["▁Nc1nc(N2C",-11.46936062765478],["▁CN(C)C(=O)c1cc",-11.469413662314912],["▁CCN(CC)c1nc(N",-11.469458967073328],["CCCN(c2ncccn2)C1",-11.46966770686684],["=C2S",-11.4696910314916],["c1csc(N)n1",-11.46973992541664],["▁Cc1cc(N)c2cc(N",-11.46974816330314],["c2c(c1)CCC(=O)N2",-11.46980329840743],["c1cc(N2C(=O)",-11.46983291283436],["▁OC[C@H]1N",-11.469850949099058],["▁COc1ccc(C2=NN(C",-11.469869126535007],["[nH]2)cc(OC)c1OC",-11.469877725501576],["C=C[C@H]1",-11.46988194268748],["C)O1",-11.469963954893498],["▁Cc1c(Cl)cc",-11.46999230896148],["▁Cc1ccc(-n2c(C)c",-11.470170158117428],["2CCCCCC2)c1",-11.470245917237715],["N2CCC1CC2)c1c",-11.470317646604354],["/N=C/c1ccncc1",-11.470384042099615],["▁CCC(=O)N1N=C(",-11.470480920315175],["C2(c3ccc(F)cc3)C",-11.470481568328395],["n(C3CCCC3)",-11.470485236055865],["COC(C)=O)C",-11.470499117368751],["S3)c1",-11.470521885778188],["▁COc1ccc2c(N",-11.470583137868642],["c(C)c2)n1",-11.470600430784405],["▁C=C1[C@@H](O)",-11.470626401094243],[")Cc1cccc2ccccc12",-11.470685762286765],["nnc(-c2cccnc2)s1",-11.470751169572868],["▁COc1ccccc1N1C",-11.47075715753945],["c2ccncc2F)",-11.470772558339956],["[C@](N)(C",-11.47093028463308],["▁Cc1cc(=O)c(",-11.47093604609265],["4)cc3)nc2c1",-11.470978670186216],["▁CNCc1c",-11.47102125961095],["▁CCSC1=N",-11.47107303718801],["CC3)nc12",-11.471100937661316],["Oc1cccc2ccccc12)",-11.471104614644156],["[C@@H](O)CN1",-11.471107380167352],["sc(-c2cccnc2)n1",-11.47112481057745],["c2nc3c(c(=O)n",-11.471185785911109],["c(CCC(=O)O)c",-11.471261019052328],["c1ccc(-n2cc(C",-11.471310830071747],["[C@@H](O)[C@H]12",-11.47134088532694],["C(=C1",-11.471369960021793],["nc(-c4ccccc4)c3",-11.47144756536814],["▁COc1ccc2[nH]c3",-11.471632870202615],["Nc1nc(SC",-11.471637075743876],["C2=C(Cl)C(=O)N(",-11.471728464369548],["▁COc1ccc2[nH]c(S",-11.471819716118976],["c1cccc(N2CC",-11.47182848471035],["▁COCCN1CCC(",-11.471853079334103],["CCC1(C",-11.471917126455333],["▁COc1cc(-c2o",-11.471925697924949],["cc2Cl)on1",-11.471975473576562],["C2=NCCN2",-11.47208976476166],["[C@H]2Cc3ccc(O)c",-11.472151778694444],["▁C=C(C)COc1cc",-11.472185961220196],["c4ncnc(N)c34)c",-11.472240227091998],["C=C(CO)[C@@H](O)",-11.472258192633316],["c1cc2cc(",-11.472344399979631],["(SCc2ccccc2)",-11.472370697745514],["nc2cncnc2n1",-11.47238062672429],["▁NNC(=O)c1c",-11.472388957742448],["▁CC(=O)NCC(=O)N",-11.472431034540902],["▁Fc1cccc(O",-11.472798803305686],["C(F)F)cc1",-11.472805306443313],["c2cnc(N)nc2N)cc1",-11.47304587096848],["sc(N)c1C(=O)",-11.47305046977755],["C(=O)c3ccccc31)",-11.473145316915408],["N2CCC3(CC2)CCN(",-11.473302493995211],["c5o",-11.473425795187811],["4[nH]cnc4c3)",-11.473622845942758],["▁COc1ccc(C(C)(O)",-11.473661093513856],["c3ccccc3)c2cc1OC",-11.47367968920432],["[C@H]1C[C@@H](C)",-11.47368410543479],["▁O=C1C(=O)N(",-11.473750431034423],["▁CCCCN(CCCC)CC",-11.473868778723348],["▁O=c1[nH]cc",-11.47392926838031],["C2CCCN2C(=O)N",-11.473957745774298],["▁Cl.Cl.O",-11.474067834938692],["C1CCC(O)CC1",-11.47418263909282],["c1csc2c1CCCC2",-11.474256272489743],["N2CCCC(CO)(C",-11.474287329842136],["NC(=O)[C@H](N)",-11.47430115063261],["C[C@@H]43)",-11.474388942462747],["[C@@]23O",-11.474487072576498],["▁N#Cc1cnn(",-11.47448940333053],["▁Cc1cccc(NC(=S)N",-11.47467510359953],["N)c2ncccc2c1",-11.474701618318717],["ccc2/C(=N/O)NC",-11.47471213926128],["C2)CN1",-11.474767345633424],["[C@@H]3C2)c1",-11.47478405333147],["▁O=S1(=O)C=C(",-11.474835991982207],["[nH]c3c2",-11.474845758867742],["Nc1ncccc1OC",-11.475072673882252],["/N=N/c1ccc(",-11.47515100830909],["C(c3ccncc3)",-11.475155679676096],["c(-c2csc3ncnc(N",-11.47519231338153],["N2CCCCC2)C1",-11.475221304796309],["Nc1nc(C(F)(F)F)n",-11.475373425869662],["CCNC(=O)c2ccco2)",-11.47537769330832],["▁C[N+]1(C)CCN(",-11.47538181402332],["/C1=C1/",-11.475405405346502],["c(NC(=O)NC",-11.475500307645394],["CC(n3cncn3)C2)",-11.475525881746732],["▁O=C1Cc2cc(",-11.475532818728048],["c(Br)c(O)",-11.475535379911626],["C2CNCCO2)",-11.47557965870186],["▁C=C1[C@H]2C",-11.475632268888209],["▁O=C(NC1CC1)c1cc",-11.47564296557576],["c2ccccc2)nc1C",-11.475720600606524],["C(=O)N3)cc1",-11.475776239782746],["cc2F)n1",-11.475860499567888],["[C@@H](CO)N1",-11.476019879583893],["c1nc2ccsc2c(=O)",-11.476216423159125],["▁COC(=O)C1Cc2c(",-11.476321541594949],["Sc2ccc(Cl)cc21",-11.47635546390904],["▁CC[C@@]12C",-11.476485391263042],["▁CC1(C)OC2",-11.476495633715167],["N1C(=O)/C(=C\\",-11.476546061640615],["c2)[nH]n1",-11.476585558333593],["3CCCCCCC3)",-11.476683560997223],["[C@@H]2C[C@@H]1",-11.476684776260576],["c(N)c(C(N)=O)",-11.47670203116072],["▁CC1(C)OC(C)(C)",-11.47670983080075],["▁Cc1cccc(N(C",-11.476779505418447],["n3)cc2c1",-11.47686761472384],["▁CN(Cc1ccc(",-11.47707891058727],["▁O=C(c1cscn1)N1C",-11.4771193809841],["▁CCCCSc1n",-11.477247213071792],["CC(O)COc1ccc(",-11.47735259112067],["Cn2c(=O)c3cccn",-11.477476523834872],["c1nc2[nH]cnc2",-11.47765143225362],["c3cc[nH]c3",-11.47771413208137],["O)O[C@H]1",-11.477789967205611],["c3ccccc34)",-11.477819290355054],["CCCCCCOc1ccc(",-11.477932789892836],["c1ccccc1c(=O)n2C",-11.478030120127515],["C(=O)[O-].[K+]",-11.47810378766704],["c2ccc(F)cc2)c1=O",-11.478196334821298],["=C(COC(C)=O)C",-11.478235475905205],["N(CC2CCCCC2)",-11.478304281393203],["C(c1ccc(Br)cc1)",-11.4783688083709],["O[C@@H]3CO",-11.4783751536952],["c(N3CC4CC(C3)N4)",-11.478489315903936],["▁O=P([O-])(O)",-11.478489349664509],["▁CN1C2COCC1CC(",-11.478489598550512],["2CCN(CC2)[C@H]1C",-11.478496762419674],["CC2)n2ncc(/C=C3\\",-11.47853833790842],["c3cn4ccccc4n3)",-11.478612933330083],["c(Oc2cncnc2)c1",-11.478652023231843],["c2C)nc1",-11.478701979235575],["(-c4ccccc4)cc3)",-11.478742144151392],["▁COP1(=S)NCC(",-11.4787663536545],["▁CC1(C)Cc2c(sc(N",-11.478783880495383],["=NCC2",-11.478871850203944],["N2CCCC3(CCN(",-11.478885806663175],["3c(c2)OCO3)on1",-11.479049843996693],["C1OC(=O)NC1=O",-11.479063014116502],["c1c(O)cc(C)oc1=O",-11.479186208572578],["([C@@H]3O[C@H](C",-11.479228251999718],["cs1)c1ccccc1",-11.479268712717712],["c1cc(C)nc2c(-c3c",-11.479309079613731],["▁COCCOCCO",-11.479321121062677],["12CC3CC(CC(C3)C1",-11.479356245199948],["▁O=C(Cc1cccnc1)",-11.479430952403634],["c(C(F)(F)F)nn1C",-11.479468758546089],["C1CNCC2C1",-11.47949007759178],["Cn1nc2ccccn2c1=O",-11.479499047147677],["c2oc3c(c2",-11.479555864100403],["▁Cc1cc(N2CCOCC2)",-11.479594400119035],["▁N#CN/C(=N\\",-11.479626632595554],["[o+]c2c1",-11.4796495885625],["c1ccc2c(cc",-11.479722105710389],["▁COC(=O)CN(",-11.479892968930304],["CN1C(=O)NC(",-11.479897493953844],["▁Cl.Cn1",-11.479915465713026],["C2=C(N",-11.479988055513292],["▁Cc1cn(CCC",-11.4799965016718],["N2CCOCC2)c(Cl)c1",-11.479998514446494],["c1ccc2[nH]c(-c3c",-11.479999651623258],["c3occ(C)c3",-11.48019468033566],["n2)on1",-11.4803631388106],["O)ccc21",-11.480363762409889],["▁CCCCCCN1C(=O)",-11.480386737269864],["c2cccnc2Oc2ccc(N",-11.480464982870574],["c1ncc(-c2ccccc2)",-11.480659406120068],["C2=NNC(",-11.480680331056313],["[nH]c(=O)[nH]1",-11.480706051863674],["c3)c2",-11.48076195514233],["c2cnn3c2",-11.480839434974389],["CN(C(=S)N",-11.48085659811573],["C(=S)N1CCOCC1",-11.480858285761109],["C1CCN(C(C)C)CC1",-11.480883800927952],["n2Cc2ccccc2)cc1",-11.480889970077875],["▁Cc1ccc2c(c1C)",-11.480890168399668],["n1c(O)c(N=NC(=O)",-11.480977614088228],["▁OC(Cn1ccnc1)",-11.481080521163646],["c(SCC(=O)O)n",-11.481080631759712],["c2ccc[nH]2)cc1",-11.48114660063905],["C1CC1)N1CC",-11.481258081745782],["c3scnc3",-11.48126939201554],["N(C)c3ccccc3)",-11.481349984422202],["N1CC(=O)N(",-11.481458219398188],["[n+]2C)cc1",-11.481519571841568],["c1nc2cccnc2[nH]1",-11.481540997997122],["▁O=c1[nH]nc",-11.481598622800709],["C1CCN(C(=O)c2c",-11.481669516718888],["(C(C)O)",-11.481737788723532],["NC(=O)c2ccoc2C)",-11.4817623363801],["c2cccc3[nH]c(=O)",-11.481905063160037],["[C@@H]2CC[C@@H](",-11.48197114769321],["▁O=S(=O)(c1ccc",-11.4819839834399],["▁Clc1ccc2[nH]",-11.482082355413102],["(/C(N)=N/O)",-11.48209664631814],["F)c(=O)c(C(=O)",-11.482105675085815],["(C(F)(F)F)c2)cc1",-11.482111311069271],["C(=O)Nc2ccc(F)c(",-11.482279694440152],["C(C)(C)N1O",-11.482329342292408],["N2CCOCC2)nn1",-11.482331653552006],["▁c1ccc(OCC",-11.482335318446944],["[nH]c(=O)/c(=C/",-11.48235017805716],["▁CSc1nnc(",-11.482410554180287],["COC(=O)c2ccc",-11.48244298911487],["c2/C1=C\\",-11.482523120924084],["n4cccc4)",-11.48253051535102],["C2CCNC2)cc1",-11.482670116228324],["c2sc(Nc3ccccc3)n",-11.482729007756216],["/C1",-11.48276826082346],["c(-c2n[nH]c3cnc",-11.482782276706272],["C4CCC4)n",-11.482970331159532],["c2sc3c",-11.483038866461436],["▁CNc1ccccc1",-11.483057305362872],["2=CC(=O)CC(C)(C)",-11.483082758864148],["c2ccc(CN3CCOCC3)",-11.483086355499326],["C1COC2(CCN(C",-11.483132705950176],["C(=O)c1cnc(N",-11.483277294059803],["▁O=C(NCCc1cccs1)",-11.483369493150231],["c(N(C)C)n2)",-11.483622192481082],["c2cccnc2C1=O",-11.483679658098238],["c2ccccc2-3)c1",-11.483726490440436],["Cn1c(=N)n(CC(=O)",-11.483751522482134],["▁COC(=O)C1=CO",-11.483756573480749],["c1cc(C)sc1",-11.48391309989633],["CN1C(=O)CSC1=O",-11.483935297313666],["c1cc2c(=O)n",-11.48394069839243],["▁O=S(=O)(Nc1ccc",-11.483986622637891],["N(C1CC1)",-11.48407742665491],["c1cccc2ncccc12)",-11.48410357552086],["c1noc(C)n1",-11.48413804091063],["CCCC(C)(C)O)",-11.484145966538389],["c2cc(OC)c(Cl)cc2",-11.484196230411465],["c2ccccc2CN1C(=O)",-11.484198516392444],["c3ccc(C(C)C)cc3",-11.48420167917166],[")C(=O)NC3=O",-11.484211707403574],["▁NC(=O)CN1CC",-11.484231924895326],["c(-c2ccnc(Nc3ccc",-11.48426600683213],["C(Cl)=C(Cl)Cl)",-11.48432199968287],["nc2ncccc12",-11.484457256472387],["=Nc2ccccc21",-11.48459670201563],["▁NCC1(",-11.484617007665424],["c1ccccc1-c1nnc(N",-11.48469814082103],["c1cccc(-n2cc",-11.484704979396447],["[C@H](O)C[C@H]2",-11.484765014993169],["CN1C(=O)S/C(=C/",-11.484765841437593],["NC(=O)c1[nH]",-11.484809471717714],["4CCOCC4)CC3)",-11.484922023793176],["C(O)C(O)C(O)C(O)",-11.48493230990773],["/N=C(/S)",-11.484933463175732],["▁CC/C(=C(\\",-11.485000460556993],["nc2n(c1=O)CCS2",-11.48505862574616],["[C@H]2O[C@H]2",-11.48506977196564],["c1cnc(Cl)nc1",-11.485121412590034],["C2Cc3ccccc3C2)",-11.48532370282516],["CC(n3cccn3)C2)",-11.485397922115588],["c2sccc12",-11.485431594032107],["NC(=O)N(CCCl)N=O",-11.485459630564758],["c(c31)",-11.485496609873936],["OC3)cc1",-11.48552784797566],["[C@@]1(F)",-11.485543606392625],["[C@H]1OC[C@@H](N",-11.485701131552831],["▁NC(Cc1ccccc1)",-11.485720671489675],["c1ccc(CSc2n",-11.485739453337365],["C(=O)c2c(O)c",-11.48580747280692],["C[C@@H]3[C@H]2C",-11.486059082766772],["▁CC1(C)CCc2c(",-11.48609379266729],["c3)cc2",-11.48619680237263],["=C\\c1ccco1",-11.486219454611271],["▁CCCCn1c(N)c(N(C",-11.48629970800376],["▁Oc1cccc(N",-11.486432487759206],["c(C)cc(C)",-11.486508133117432],["n(O)c(=O)c1",-11.486517964576477],[")=N\\NC(N)=S",-11.486598417085911],["▁Nc1ccccc1-c1nn",-11.486711766011432],["▁O=C(CCCCCNC(=O)",-11.48679098896999],["NC(=O)C(N)C",-11.48681926102758],[")C(=O)NCC1CCCO1",-11.486872768366185],["▁CC(C)N(C)C(=O)",-11.486878650831486],["C(=O)c2cc(C)",-11.486970533250318],["c1ncco1)",-11.48697887246197],["[C@H](CS)NC(=O)",-11.486990462311596],["=O)C(CC)(CC)C1",-11.487035634132612],["C(O)(CC(=O)",-11.487046267917062],["c2cccc(Br)c2)c1",-11.487105484453826],["c3ccncc3)n2)cc1",-11.487155103338267],["=C(c1ccc(O)cc1)",-11.48720045510861],["▁O=C(NCCCN1CCN(",-11.4872052950051],["C4)c23)c1",-11.48731686836511],["▁N[C@@](CC",-11.487330228777498],["Cc1cn2c(n1)CN(",-11.487363460085543],["-c2ccsc2)cc1",-11.487397718543388],["CS2)c1",-11.48761819181607],["nc3ccnn23)",-11.487684014863696],["nc1-c1c",-11.487714239181305],["CO3)c1",-11.48771578947546],["c(CN2CCCC(C(=O)",-11.487726081683713],["n2[nH]c(=O)",-11.487751919632952],["CCOc1ccc(O",-11.48780842804154],["nc2Cl)",-11.48785539378166],["c2ccncc2)cc1OC",-11.487952886646294],["c1ccc(F)cc1)c1cc",-11.48800897647866],["CCc1nc2ccccc2n1C",-11.488032109196377],["N1CCCC(O)C1",-11.488032820381228],["C2=NC(=O)/C(=C\\",-11.48805888075606],["[nH]c(-c3ccccc3)",-11.488069806705363],["c2c(c1OC)",-11.488076263239169],["/C(=N\\O)c2ccc(O",-11.48819840010169],["C3)CC2)cc1",-11.488228120624845],["N(C(=O)c1cccnc1)",-11.488303536819524],["c2[nH]nc(C)c2",-11.488333101558595],["▁NC(=O)c1cc(-c2c",-11.48840559161369],["C(=O)N(CC)CC",-11.488434735215751],["C[C@H]2[C@@H]1",-11.488440938063755],["c2ccc(=O)[nH]n2)",-11.488481600207562],["c(-c3ccc[nH]3)",-11.488500518053058],[")N(Cc1ccccc1)C",-11.488502905467556],["▁CSc1ncc(C(=O)N",-11.488520272045992],["▁CCOc1ccc(OCC",-11.488547685676869],["▁CCn1nc(C",-11.488552781104504],["▁N#Cc1ccc(CN",-11.488562438376215],["c(C(C)C)cc1O",-11.488583391742818],["CSc1nnc2c(n1)",-11.488595621040147],["n2nc(C",-11.488656341927255],["C1=CC(=O)C(",-11.48868913666214],["c3)nc12",-11.488717490230526],["c2cn(C)nc2",-11.488734776264602],["C1CCCN1C(=O)N",-11.4887540348911],["n3ncnc3N2)cc1",-11.488771297120106],["sc2ncnc(N",-11.488857863387707],["▁N[C@H](COc1cnc",-11.48885977376659],["▁NC1(c2ccc(-c3n",-11.488904686870844],["Cn2c(=O)c",-11.489024879897164],["c3cncc(F)c3)",-11.489034605243694],["c(-c3ccc(F)nc3)",-11.489169210071395],["cc2)CCC1",-11.489172233706864],["▁O=C1CC(N",-11.489193082745834],["[C@@H]1C[C@@H](C",-11.489214598958846],["▁Cc1cc2cc(CN",-11.48933357713786],["NC2(CCCCC2)C1=O",-11.489438205357398],["▁CC(C)=CCc1c",-11.489500682065325],["c2n[nH]c(=S)",-11.489927537820153],["▁Brc1ccc",-11.489995751404027],["c2nc(N3CCCCC3)n",-11.490061186406995],["▁COc1cc2c3c(c",-11.490114970700496],["CC3)co2)cc1",-11.490132549856876],["c3ccc(C)cc32)cc1",-11.49041162451363],["c(/C=N/NC(=N)N)",-11.490529186424032],["(SCC(=O)O)",-11.490585529885813],["▁c1ccc2oc(",-11.490603882714556],["▁COCc1nnc(NC(=O)",-11.490701531729504],["C1CC2(CCN(",-11.490861753231169],["▁Nc1ccn(",-11.490868908027617],["C23CC4CC(C",-11.490884117199414],["CSc2nc[nH]n2)",-11.490980650354429],["c3ccc(Br)o3)",-11.49101788567618],["CN1Cc1ccc(Cl)nc1",-11.491098752553851],["NC=N",-11.4911345650325],["CCOc1ccccc1)",-11.49114539127022],["(=O)CC2(O)C(=O)N",-11.49129121332685],["N3CCCCC3",-11.491366423242976],["c2nc3c(C)cccc3",-11.491396090821803],["c2ccc(Cn3ccnc3)c",-11.491470523710245],["c(C=O)c1",-11.491473219636427],["▁CCc1ccc(CN",-11.491509196756049],["▁CCCCCNC",-11.491559673641984],["c(C(N)=O)c1N",-11.491605004881707],["Nc1cc(N",-11.491621927377674],["cc(-n2nc",-11.491635335243297],["n2c(SC",-11.491660058919276],["c2cc(Cl)ccc2n1C",-11.49170783352092],["(C)(C)CCC[C@]21C",-11.491711794453307],["C1CN2CCC1CC2)",-11.49194384490191],["cs2)ccn1",-11.491955394467528],["n2c(c",-11.49211534631237],[")CSC2",-11.492177630666824],["C[N+]1(C)CCCC1",-11.492265233296587],["▁C#Cc1ccc2c(c1)",-11.49229915558366],["n(-c2ccc(Br)cc2)",-11.49236609874787],["C2CCC2)CC1",-11.49241484959197],["c(/C=C3\\C(=O)N",-11.492416248884131],["ccc1C(N)=O",-11.492525614962068],["[C@@H]1CN[C@H](",-11.492730857249244],["▁Cc1cnc2c(c1)",-11.492819904243554],["▁COc1ccc(-c2s",-11.49287052656117],["-c2noc(CN3CC",-11.49290048788498],["c(-c4cnccn4)",-11.492904170219532],["CCC(=O)NC(C)",-11.49299101091555],["c2nc(N3CCOCC3)n",-11.493286707086211],["▁CCCCCCCCOc1ccc(",-11.493343270458658],["c2sc(Cl)",-11.49358451605031],["CC3C2)n1",-11.493784685544997],["N=CN2",-11.493834420337391],["n2)CCN1",-11.493888113681438],["[C@H]2CCC[C@@]2(",-11.493926938774578],["(-c2ccccc2)cc1)",-11.493989529907504],["ncn2-c1ccccc1",-11.494006933864569],["c2ccccn2)o1",-11.494132617360838],["c2cccc(Br)c2",-11.494172915117984],["▁N#Cc1nc(",-11.494200871968433],["C4(C)C3",-11.494210970148815],["c1ccc(C=O)",-11.494230440866282],["▁COc1cc(C(=O)O)",-11.49425658486847],["(Cl)c(O)",-11.49434155305076],["[N+]([O-])=",-11.494344807488035],["c(-c2csnn2)cc1",-11.494451815615864],["C#Cc2ccccc2)cc1",-11.494454165487388],["[C@H]2CC[C@H](C)",-11.494528411707492],["c(C3(O)C",-11.494585393697475],["n1oc(=O)",-11.4945955615689],["[C@H]2OCC[C@H]2",-11.494727368545606],["no2)cc1OC",-11.494787318406384],["c(-c3cccc(NC(=O)",-11.494844122788107],["▁O=C(Cc1c",-11.494998604706236],["cc32)N1",-11.495127356030842],["(C#Cc3ccccc3)",-11.495168633473233],["CCN2CCN(c3ccc",-11.495169919817258],["ccc1OCC(=O)O",-11.495172312827313],["▁Cc1[nH]n(-c2",-11.495267626259736],["c(C)c(CCC(=O)N",-11.495295257763004],["▁CC(=O)Nc1ccc(SC",-11.495309290688375],["C1CC2CCCC(C1)N2C",-11.49547108600051],["c1cccc(Nc2nccc(N",-11.495513661764084],["CCN23)cc1",-11.495534673882714],["▁COC1=C(",-11.495572409605542],["C(=O)N(NC(=O)",-11.495825190980655],["CN(Cc3ccco3)C",-11.49591081651764],["Nc2nc(NCc3ccco3)",-11.496007591611534],["(F)cccc2Cl)c1",-11.496057198257809],["▁CCN1CCCC(",-11.496086235806258],["c(-c2ccncc2)c1",-11.49615512821109],["NCC(C)C)",-11.496179992602864],["[C@H]3[C@@H](CC",-11.496187843344966],["▁CN(C)c1cccc2c(",-11.496248871017595],["c1cc2n(c1",-11.4962645416633],["c(-c3ccc(O)cc3O)",-11.496407633270971],["c2c(=O)[nH]c(C",-11.496426233428414],["c(-c4cccc(O)c4)",-11.496433630535355],["▁O=C1OCC(",-11.4964343866322],["▁O=C(O)CSCC(=O)N",-11.496602653113642],["c3n(c(=O)c2",-11.496746103039795],["▁CCOC(=O)C1CC",-11.496760132093392],["(Sc2ccccc2)n(COC",-11.496844368048828],["N(C)C)C2)",-11.497034818137529],["c2c1C(=O)C=CC2=O",-11.49710538185765],["s2)c(O)c1",-11.497227269277342],["c1c(-c2cccs2)",-11.497257806976506],["N1CCCc2cc(-c3cnc",-11.497264242193811],["c(C3CC3)n2)",-11.497305467632923],["Cn1cc(NC(=O)",-11.497374593935984],["▁N#CC(C#N)=C1",-11.49758936001731],["CC1)N2",-11.497595575169893],["[nH]cnc3ncnc2-3)",-11.497622329705564],["c3ccc(-c4cccnc4)",-11.497651264816644],["▁C=C1OC(=O)",-11.49765683482983],["▁CCCCCCCC(=O)OC",-11.497751839272327],["C3CC3)n2)cc1",-11.497792080823436],["c3ccccc3c2=O)CC1",-11.497823514924637],["▁CCC#C",-11.497850554107318],["c3ccc4n",-11.49787143595325],["Cc2noc(C",-11.497929407154032],[")OC(C)=O",-11.497958092969071],["cnn2c1",-11.498016725329109],["cc32)n1",-11.498042638041811],["nc3nn",-11.498170266915295],["c2nncn2C)",-11.49825844599205],["c2ncccn2)n1",-11.498294348208091],["c2sc(Cl)cc2",-11.498370461259409],["N1CCC(N2C",-11.49842891522736],["▁O=C(O[C@H]1C",-11.498498932474453],["-c1ccc2ccccc2c1",-11.498513014112955],["N1CCC(CO)(C",-11.498713047038612],["Cn1cnc2c(SC",-11.49872090492078],["c3ccccc3)CC2)nc1",-11.49872444872736],["▁Cc1cccc(CC",-11.498739508828006],["-n2cncn2)cc1",-11.49877664158583],["▁O=P(O)(O)OC",-11.49885122779376],["2oc3c(c2c1)CNCC3",-11.499324526502896],["CN1CC(=O)NC1=N2",-11.499325312056143],["c2ccc3nc(C)sc3c2",-11.499361253760938],["C(C(C)=O)=C1C",-11.499361701546922],["[C@@]2(F)C(=O)O",-11.499366687992527],["c2cc3ccccc3nc2-1",-11.49938340106035],["[C@H](C[C@@H]1",-11.49945429962613],["C[C@H]1[C@@H]2",-11.499528344313005],["ccc2=O)cc1",-11.4995911259787],["(-c3cnc(N)nc3)",-11.499724240828858],["▁CC(C)c1nnc2n1CC",-11.49977604880064],["▁O=C1CC(=O)CC(",-11.499781305249314],["N=C1CCC",-11.499808005735236],["▁Cc1nc(N)nc(-",-11.499823417504166],["n3ccccc3=O)",-11.499865905642237],["ccc1O2",-11.500085892369697],["C2=[N+](C",-11.50009541084829],["n1)CC",-11.500185477522583],["C(NC(=O)OC",-11.500234093956172],["c1cc(-c2cccnc2)",-11.500243521767384],["▁COc1cc(C2CC(=O)",-11.500307186264935],["CN(C(=O)c2cc",-11.500314021405744],["c1c(I)c",-11.500315506769214],["c2ccc(Br)o2)cc1",-11.500357532582106],["C(=C)C(=O)O",-11.500414407441395],["▁O=C(O/N=C/",-11.50060068498672],["▁CN(CCCNC(=O)",-11.500711038118355],["3nc(-c4ccco4)nc3",-11.500732562988162],["▁Nc1nc(C(=O)NC",-11.500740344100974],["N(CCc2ccccc2)",-11.500808481864844],["▁O=C1COC2(CCN(C",-11.500814020041584],["[C@@H]4CCC",-11.500845808102085],["cc2C(=O)N(C)c2cc",-11.500858017345433],["N1CCC2(CC1)OC",-11.50090551910674],["c1ccc(C(=O)O)cn1",-11.500962264856511],["c2c(N)n(C)c(=O)",-11.501226178855696],["▁O=C1OCC2=C1C",-11.501384885465068],["C=C(Cl)",-11.501401207422289],["c(=O)[nH]c(=O)n2",-11.501481845629147],[")Nc1nncs1",-11.501547265354764],["c1cc(-n2cn",-11.501558096213657],["c2c1C(=O)CCC2",-11.501703723217132],["nc(N)n2)c1",-11.501767291628752],["Cn1ncc2c(N)c(",-11.501819114644729],["c2nc(Nc3ccccc3)n",-11.5018866741456],["c2ccc(F)cc2)ccn1",-11.50193047016776],["CSSC",-11.502006788293087],["c(NCc3ccc",-11.502020102989908],["c1nc(C)nc2c(-c3c",-11.50203488675557],["▁Clc1cccc(CN",-11.50203583264537],["c2nnc(C3CC3)o2)",-11.502153095264315],["▁CCOC(=O)C(C)S",-11.502158165477788],["c2ccncc12",-11.502196125727316],["CC2CCCCN2C",-11.502262403416731],["oc2cc(OC",-11.502343852551732],["(OC)cc2)n1",-11.502382253352325],["CCn3c2n",-11.502420112553574],["c3c(OC)cc(OC)cc3",-11.502422048612075],[")[C@H](O)[C@H]1O",-11.50248164329045],["ccc2c(c1)OCCCO2",-11.502585670278483],["Cn2cnc3c2",-11.502879760946524],["Cc1no",-11.5029085949187],["c3ccccc3)[C@H]2",-11.503098005460124],["n2cc(F)c(=O)",-11.503171937076068],["c(C)nc1C",-11.503184428851762],["c2ccccc2C(=O)N1C",-11.503219126849247],["▁CC(=O)NC(=S)N",-11.503266800608396],[")[C@H](O)CO",-11.503285174753977],[")=C\\CC[C@",-11.503295626425231],["▁N=C(N)Nc1nc(",-11.503361945687503],["c(-c2cc(C(=O)O)",-11.50337039685953],["▁O=C(Nc1cnccn1)",-11.50337894696541],["/N=c1/c",-11.50340084933774],["▁C[C@H]1CO",-11.503538962769635],["n3ccnn3)",-11.503597213376324],["3CCC(C(=O)O)CC3)",-11.503656641986325],["CCC[C@@H]1CC",-11.503706711127482],["c(-c2ccccc2)nc1O",-11.503855278971864],["▁COc1cccc2c(N",-11.50388824518744],["C(C)(O",-11.50414700007922],["▁COCCNc1nc(N",-11.504246007612824],["2)c(OC)c1OC",-11.504367903275217],["CN2C(=O)CCC2",-11.504369530283146],[")c(C)[n+]2[O-]",-11.50438240826528],["cc(-c3ccncc3)n2)",-11.504433668836686],["cc(C(F)F)",-11.504531389826724],["c2ccccc2F)C1=O",-11.50458590376507],["c2ccccn2c1C(=O)",-11.50459426459344],["n3n2)CC1",-11.504801584295617],["C(Cl)=C1Cl",-11.504827927507623],["▁Cc1cccc(OCCC",-11.504938917211824],["1N=C(c2ccco2)CC1",-11.504947248334766],["▁O=C(COC(=O)CC",-11.505128437634562],["[C@H](C)[C@H](N)",-11.50514979140251],["C(=O)N2CCCCC2)c1",-11.505226861562472],["c(=O)c2=O)CC1",-11.505324833719984],["2c(=O)c(C(=O)O)c",-11.505361728292703],["c1ccc(C2CC2)c(OC",-11.50538173718186],["▁COc1cc(C)ccc1",-11.505413499786282],["▁Cn1cc(C2=C(",-11.505611523185408],["▁CC1CN=C(N",-11.505657014468824],["▁CCN1CCN(CC",-11.505709920825764],["nc3ccc(Cl)cn23)",-11.505748507770551],["(C(C)(C)C)cc2)n1",-11.50579153083804],["c2cc(F)cc(Cl)c2)",-11.505806700087248],["C=CCN1",-11.50582143012899],["c1ccccc1-c1nc(CN",-11.505858059324575],["c2cc3ccccc3nc21",-11.505898591452672],["[C@H]1CN2CC",-11.505993431655828],["▁COc1ccc(OC(=O)",-11.506035788606164],["c3ccccc3)n2)CC1",-11.506078668730972],["c1ccc2oc(=O)n(C",-11.506153512721191],["▁NS(=O)(=O)NC",-11.506292473384017],["c1cnn2c1NC",-11.506300693814822],["C12CCC(C)(",-11.50634134098224],["c4cc(O)c(O)cc4",-11.506342177419906],["c2c(C)ccc(C)c2",-11.506377963783386],["O[C@H](c1ccccc1)",-11.506437543797157],["(N2CC",-11.506473999530588],["▁CN1Cc2ccccc2C(",-11.50647887256748],["CN(Cc3nccs3)C",-11.506576690439744],["-n2cc(-c3ccccc3)",-11.506587602459147],["c2c1ncn2[C@@H]1",-11.506933381370365],["▁COc1cccc2o",-11.506972392615218],["▁COC1=C(OC)C(=O)",-11.50698326643203],["(C(=O)N4CCCC4)",-11.506988084067746],["c(-c3ccccc3)nc21",-11.507001069453366],["C1=C(O)OC",-11.507036152281936],["nc(O)c1O",-11.50704149096264],["[nH]c5ccccc45)",-11.507220056322062],["C(=O)NC3=O)cc1",-11.50727502509491],["▁Nc1nc(N)c(",-11.507277950715308],["c2ccccc2oc1=O",-11.507298236413543],["▁COc1cc2oc",-11.50730269152418],["CN3C(=O)c4ccccc4",-11.507474713202864],["/C(=C(\\O)Nc2cc",-11.507590736722277],["N1CCCC1=O)",-11.507597533891364],["c1ccc(OCCCN2CCN(",-11.507621803300427],["▁Cl.N=c1",-11.507646827312517],["c(-n2c(S)nnc2C",-11.50773569159494],["c2ccnc3c2",-11.507954493236472],["[nH]3)cc2c1",-11.507954951409516],["▁O=c1c2c([nH]c3c",-11.507956569574226],["cc2)cc(OC)c1",-11.508005390695097],["c2c3c1",-11.508022411811035],["-c2nnco2)cc1",-11.508077019404698],["c1ccc(O)c(NC(=O)",-11.50809975844816],["c(C(=O)O)oc12",-11.50813059046144],["▁CN1C2CCC1C(",-11.508156883204512],["▁CCn1c(S)nnc1C",-11.508190114123046],["▁O=C(CSc1ccccn1)",-11.508210346988813],["nn2c(O)c",-11.508309634962686],["nn1C(C)(C)C",-11.50860879485668],["cc2[nH]c1=O",-11.508671039954104],["CC(=O)N3)",-11.508705795743031],["[C@@H]1CN2",-11.50888199050822],["C2=C(c3c",-11.50893510358874],["[C@H]1CC[C@]2(O)",-11.508969912085137],["c1ccccc1)N(C)C",-11.50898005971393],["▁Nc1nc(Cl)c2ncn(",-11.50903220731775],["C2CCOCC2)cc1",-11.509060907108104],["CCn2ccnc2)c1",-11.509097918796668],["▁OC1(c2ccc",-11.509136331380882],["C[N+](C)(C)C)cc1",-11.509138605960484],["▁CO/N=C(\\C)",-11.509152740838786],["▁CCNc1ccc(",-11.509259705517168],["(Oc2ccc(Cl)cc2)",-11.509316085415207],["c2c3c(cc",-11.50938306213856],["C(Cc2c",-11.50939386290845],["CCC12CCN(",-11.50942244417528],["▁Cc1c(C(=O)N2CC",-11.50954697599964],["N1N=C",-11.50961963135076],["/C=C(\\NC(=O)",-11.509664378438744],["c2nc3nc(C)cc(C)",-11.509664783054768],["[C@@H]1C[C@H](N)",-11.509690172185165],["-c2cccc(F)c2)cc1",-11.509704357689394],["▁COCCN(C(=O)",-11.50978565420832],[")occ1O",-11.509792709581768],["c3nnc(C)n3",-11.509799885726272],["[nH]c1-c1ccccc1",-11.509868081548529],["Cc1c(C)nc2c",-11.50992946127555],["cnn1-c1cc",-11.509933900133651],["▁CCOc1cc(/C=C2\\",-11.510037323512078],["CC2)cc1=O",-11.510200502030898],[")CCS2",-11.51022154709501],["c(C#N)cc2",-11.51027809351329],["c3ccno3)",-11.510312970463373],["C2)O1",-11.510351701060149],["▁O=C1NN=C(",-11.510399752436667],["▁CCC(=O)NC(=S)N",-11.510454388215162],["c2ccc(Nc3cc",-11.5104690052068],["▁COC[C@@H]1C",-11.510638250098046],["▁COc1cc(OC)nc(O",-11.510707307146829],["c(Cl)c(S(=O)(=O)",-11.510729393906487],["c3nc(-c4ccco4)",-11.510801510795766],["CC2)CC1=O",-11.511072580678338],["▁CCCCNC(=S)N",-11.511078894882056],["c2ccccc2)ncn1",-11.511095297491195],["ncnc1N",-11.511187626984825],["c[n+]1[O-]",-11.511327639047494],["▁CCCN(CCC)C(=O)C",-11.511394783758996],["c2c(CC)c",-11.511449003234627],["N4CCC(C)CC4)",-11.51147275432904],["c(N)c2c1",-11.511537924016924],["c3ccccc32)o1",-11.51156125234623],["(CC3CCCCC3)",-11.511583431113351],["ccc1-c1cn",-11.511603393398271],["▁O=c1[nH]cnc2c1",-11.511655654836904],["▁O=C(CC1(O)C(=O)",-11.511675164657262],["▁CCOC(=O)c1c(O)",-11.511715437654368],["COc1nc",-11.511740746031393],["Cc1c[nH]c2ccc(",-11.511752136376437],["Cc1cccc(NC(=N)N",-11.51179061943848],["(C)CCC[C@@H](C)",-11.51186219587452],["c1nc(-c2ccccn2)c",-11.512041231555116],["▁CCCc1nn(C)c2c",-11.5120474458401],["c2ncnc3sc4c(c23)",-11.512060569747588],["[S-]",-11.51212736149223],["nc1c23",-11.512243335709057],["C3CCCCC3)nn2)",-11.5123987648331],["c1cccc(Nc2nccc",-11.512572852086691],["▁CCN(CC)CC#CC",-11.512573183188548],["CCn1cc(C",-11.51270182750422],["c1cc(F)ccc1OC",-11.512741966582722],["▁CCSc1ccccc1",-11.512767564329888],["▁COc1ccc(/N=N/",-11.51281053332143],["c3cc(=O)oc4cc",-11.512826844746444],["C[C@H]1O2",-11.512937926006655],["3[C@@H](CC",-11.512951789687268],["▁CC(=O)OC(",-11.513025336470744],["c2ccncc2)s1",-11.513079988333422],["c4ccc(F)cc4)C3)",-11.51309737471466],["c1nccnc1N",-11.513149945039189],["1C[C@H]2O[C@H](C",-11.513183461363685],["c(-c2c[nH]c(C(O)",-11.513454641408778],["▁C[C@@](CC",-11.513559306013695],["[C@H]1CCC(=O)N1C",-11.513574746865668],["P1(=O)OCC",-11.513587093827075],["▁Cc1noc(C)c1CN",-11.5137321996368],["c1ncc(F)cn1",-11.5137585315009],["c2[nH]nc(-c3cc",-11.513781954666186],["▁COCCC(=O)N1C",-11.513819467874493],["▁O=C(O)[C@H]1NC",-11.51383617987874],["CN3CCc4c(",-11.51401849393987],["(N4CCCCC4)",-11.514032880766996],["▁O=C(O)[C@@H]1CS",-11.514110769889864],["▁CC1(C)Cc2c(c",-11.51411536633155],["-c3nn[nH]n3)cc2)",-11.514150981134732],["▁[C-]#[N+]c1ccc",-11.514220926356945],["CSc1ncccn1",-11.514232948003311],["(NC(C)=O)cc2)",-11.514275616283395],["cc(-c2csc(-",-11.51430124904683],["c(S)n1",-11.51438438355184],["CC2CCO)cc1",-11.514402236031447],["▁CCO[C@H]1C",-11.514569970564471],["NC1CCCc2c1cnn2",-11.514619398076984],["N1CCCC[C@H]1",-11.514823245053863],["▁Fc1ccc(-n2c",-11.51487518104209],["N2CCOCC2)ccc1O",-11.515054487643187],["cc(C(=N)N)c3)",-11.515057750028843],["N(C)N=O",-11.515104667567568],["N4CCCCC4",-11.515134800559352],["c1ccc(-c2cn(C",-11.515326593863955],["C1OCCO1",-11.515438108405329],["OCCS(=O)(=O)N1C",-11.515482476792425],["[C@H]2CCCC[C@H]2",-11.515487869631652],["c1ccc(Cl)nn1",-11.515501913285007],["N(Cc1ccsc1)",-11.515541798454644],["C#CCN(C)C",-11.515594894831043],[")C(=O)NC1CC1",-11.515635805134847],["▁NC(=O)c1cc[n+](",-11.51576982008428],["c(NCCCN)",-11.515886252737667],["CC[C@@H]2[C@@H]1",-11.51589559735324],["▁COc1c(Br)c",-11.515957316381268],["NCc2ccncc2)",-11.516129049395012],["▁Nc1ncc(-c2ccc",-11.51613014459011],["1)C2(C)C",-11.516157832609418],["N2CCOC(C",-11.516189636797572],["▁CCOC(=O)C(CC)",-11.51628806621648],["▁CN1CCCC(OC(=O)",-11.516418019071615],["NC(=O)C2CC2)cc1",-11.51649304416472],["Cc1cc(O)n2nc",-11.516499000770647],["▁CC1(C)N=C(N)N=C",-11.516545902851458],["NC2=NCC(=O)N2",-11.51657790795374],["c2cc(C)[nH]n2)",-11.516665826017736],["N(c1ccccn1)",-11.5167180723436],["▁CCN(CC)CCS",-11.516791807808008],["(C(F)(F)F)nc2)",-11.516861058967956],["▁Cc1cc(C)c",-11.516949657922362],["▁CC1(C)OB(",-11.516970499558528],["▁Cc1cccc(C(=O)OC",-11.516976671836424],["▁CC(C(=O)Nc1cc",-11.517174164786194],["C/C=C\\C/C=C\\CC",-11.517180505690533],["nc2cc(C(F)(F)F)c",-11.517392375640204],["c3c(Cl)cc",-11.517419047228662],["▁Cc1ncsc1CN1C",-11.517457745699774],["▁NC(=O)C1C",-11.517482743373373],["c(c23)C1",-11.51754095949122],["C(=O)CC[C@@]43",-11.517559845884346],["CCN1CCc2ccccc2C1",-11.51760127887786],["▁CCCCCCCCCCN",-11.517711676236042],["c4CC[C@H]3[C@",-11.51775229198434],["C2CCCO2)s1",-11.51784630276637],["c2cccc(C#N)c2)c1",-11.517875836776192],["▁O=C1NCCc2[nH]c",-11.517876818697404],["cnc13)C",-11.517905165698194],["c(Cl)cc2Cl)cc1",-11.517943991803278],["▁c1cncc(-c2c",-11.517953381832273],["CN(CCCN)C",-11.517964189917723],["[C@]1(C(=O)O)C",-11.518036290701264],["CCn1c2c(c3ccccc3",-11.518071034274277],["[C@@H](N)C1",-11.518106488427472],["/N=C/c2cccnc2)",-11.518268481875284],["c1ccccc1)n1cc",-11.518268996064664],["c1ccc(OC2C",-11.518359188856142],["[N+](C)(C)",-11.518402707214538],["▁COc1ccc2oc(=O)c",-11.51849024672027],["▁CC1(C)C=Cc2cc(",-11.518518417845794],["▁CCc1ncnc(",-11.518637132601668],["1CCCCC1)c1ccccc1",-11.518701047421246],["c(-n2cccc2)",-11.51887455446477],["C[N+]1(CC#C",-11.518898354608584],["▁CCOC(=O)/C(",-11.519085394912256],["CCO2)nc1",-11.51918672504555],["c1nc(N2CCNCC2)",-11.519244137529386],["C2=NC(=O)CS2)",-11.519261244904987],["▁Cc1ccn2c(N",-11.519284076892482],["▁OC(CNCC",-11.519338326356378],["C2C=CC(",-11.519432444288356],["C1(C(F)(F)F)O",-11.519441051336448],["c1ccc(O)c(C)c1",-11.519457590588464],["c2ccnc(Cl)c2)",-11.51947582927437],["[C@@H](C)C(=O)O)",-11.51950253903846],["c2ncccc2F)",-11.5195385293626],["N2CCOCC2)c(C)c1",-11.51973650222164],["c(Br)c1Br",-11.519742750994295],["C(=O)C(C(C)=O)",-11.519822105058578],[")N(Cl)Cl",-11.519920138562268],["nc3cc(Cl)ccc3c(N",-11.519950184932494],["c2c1NC(=O)CC2",-11.519983311392869],["OP(=O)(OC(C)C)",-11.52010399245276],["C(C#N)=C(C)N",-11.52022990985379],["c2csc(C)n2)",-11.520285501452598],["▁Cc1cccc(N2CC",-11.520322315426236],["c3c(Cl)ccc(Cl)c3",-11.520363406149798],[")NCCCn1ccnc1",-11.520419342842985],["nc(C)n3",-11.520567072691676],["C(N5CCCCC5)CC4)",-11.520599692379296],["nc(N)cn3)c2F)",-11.520601752090002],["C2CN=C(N)N=C2N)c",-11.520604759788553],["C(=S)N2C",-11.520616387263168],["c2c3c(cccc13)CC2",-11.52066529424072],["C1C=CS(=O)(=O)C1",-11.520667740365363],["c1nc(Cl)c(N)nc1N",-11.52068151786684],["▁COc1cc(Br)c(",-11.520694867057188],["=[N+]2[O-]",-11.520781847882564],["c3c(Br)cccc3",-11.52078860667515],["/C(=N/N=C(N)N)C",-11.520798869126995],["c3cccc[n+]3",-11.520846638565173],["C2C=CCC12",-11.520864073013293],["▁CCCCn1cc(",-11.5209701139736],["nc2cc[nH]cc-2n1",-11.520983103024808],["3CCC2C3)",-11.521065114501669],["▁C=C(c1ccccc1OC",-11.521135833239375],["nc(C)nc3",-11.52120384714538],[".[Li+].[Li+]",-11.521305911198308],["/N=C1/SC",-11.521315549794856],["c1cc(-c2cccnc2)n",-11.521392906264955],["c(N)c3C(N)=O)c",-11.52150931698977],["▁Cc1nn(C)c2c1C(",-11.521606581019055],["▁CCOC(=O)c1ccc(-",-11.52181709296446],["c3ccc([C@H](C)",-11.521818725043776],["-n2nnc3c(=O)n(C",-11.521821545936811],["c2C)on1",-11.521890628924345],["-n2nc3c(c2NC(=O)",-11.521896232731873],["c4s3)",-11.522044224357614],["c2cccc(F)c2)nc1",-11.52205712149138],["n(-c3cccc(F)c3)",-11.522096268275966],["c1cc(C)oc1C",-11.522105174976144],["c4c(c3c2",-11.522233114650822],["▁CCCCc1nc2c",-11.522241581308124],["c2ccc(Cl)cc2)nn1",-11.522274619418289],["c2c(N3CCNCC3)cc",-11.522325200418669],["C[C@]2(O)C(=O)CO",-11.522364664517497],["c2cnccn12",-11.52262726877924],["c2nc(Cl)ccc2",-11.522718450726876],["▁Clc1ccc2c(NC",-11.52277139110849],["CC(C)=C[C@H]1",-11.522771459824083],["▁COC[C@@]12C",-11.522891295038312],["NC(CO)(CO)CO",-11.522923744814731],["c1ccc2c[nH]nc2c1",-11.522999603044466],["c2ccc(C)cc2C)cc1",-11.523119291655426],["Nc1nc(-c2cccnc2)",-11.523167108489996],["▁Cc1cc(C)n2c",-11.523183809450533],[")OC1CCCCC1",-11.523222948528982],["N1CCc2onc(",-11.523242510283607],["ccc2Cl)cc1",-11.5233447216691],["2[nH]c(=S)n(",-11.523389415407458],["N(C)C2CCCCC2)",-11.523395766117844],["▁O=C1c2cccc(O)c2",-11.523468702885172],["Cc1c(Cn2ccnc2-c2",-11.523587452652423],["CC(=O)C1=CN",-11.523772122454192],["C1CCCCC1)C(=O)O",-11.523792594096497],["C(=O)Cn1ncc2c",-11.524050674635337],["▁Nc1ccc(S",-11.52408761040983],["C[C@H]2O)CC1",-11.524109561248824],["▁CCC1(CC)C(=O)N(",-11.524144189135225],["[C@@]43C)[C@@H]1",-11.524249284881336],["▁CC1(C)O[C@@H]2",-11.524374187428386],["[C@H]2[C@@H]3CC",-11.524502110755163],["c(-c2ccc(Oc3cc",-11.524513068109648],["(-c4cccc(C#N)c4)",-11.524590083617444],["c3ccccc3)cnc12",-11.524590350140304],[")C(=O)/C1=C\\",-11.52464912244173],["C[n+]3ccc",-11.524652083574043],["▁Oc1ccc(Nc2n",-11.52466595948686],["n2nnnc12",-11.524714600445298],["[C@H]2C[C@@H]2CO",-11.524740826804187],["(C(=O)NC2CC2)",-11.524785595016857],["C[C@@H](NC",-11.52487001614842],["▁O=C(CC1CC1)N",-11.525049572156188],["SC3)cc1",-11.525058698576434],["c2ccc(CN)cc2)",-11.525161613224675],["S/C1=N/",-11.525192476821385],["c1c(-c2ccccc2Cl)",-11.525223746178886],["c(C)oc3",-11.525249326640086],["▁CCN1CCC(N",-11.525256417461552],["cc(Cc3n[nH]c(=O)",-11.525271963270376],["C(=O)C(S",-11.525317643081449],["N1Cc1ccc(F)cc1",-11.525450286876756],["▁CC(C)(CO)C",-11.52545546659665],["cc2nn1C",-11.525643353297047],["Cc1c-2n",-11.52566246368378],["▁COc1ccc(-c2coc3",-11.525691643433165],["CN2C(=O)NC(C)(",-11.52570112694658],["▁CCN1CCN(c2ccc(",-11.525754922079878],["c2cc(OC)ccc2c1=O",-11.525783215605896],["c(-c3cncs3)",-11.525785133083057],["3c(c2c1)CCNC3",-11.525813992925638],["[C@H]2CC1",-11.525886363464243],["[nH]cn",-11.525900719125596],["/C=C(\\C#N)c2n",-11.525916926355672],["c1ccc(-c2cnc(N)",-11.52604928347802],["Nc2nc(-c3cccnc3)",-11.52606178745198],["c2cc(-c3ccsc3)c",-11.526082404380738],["▁CC12CCC(=O)N1C(",-11.5260875068026],["c(C)n2nc(CCc3nc",-11.52623924223559],["C/C=C/C/C=C/C",-11.526285929183665],["▁CC1CCCC(C)N1CCC",-11.526288711472462],["(C)nc4",-11.526502886724929],["▁Cc1ccccc1CSc1n",-11.52660435449522],["n3c2)c1",-11.526640824376535],["c3cnn(C)c3",-11.52671283995447],["4)[C@@H]3",-11.526826196035572],["c2nnc(Cc3ccccc3)",-11.527131765688187],["c2cc(C#N)ccc2O",-11.527210944987036],["c2nc3c4ccccc4",-11.527212526861168],["CN1C2=NCCCN2",-11.52724341980613],["c4ccc(OC)cc4)",-11.527492250188644],["c1cc(NCc2ccccc2)",-11.52759888654647],["[C@H]2CC[C@]3(C)",-11.527608299488238],["c1nccs1)CC2",-11.527618569992349],["c2cc1-c1cnco1",-11.52768515290161],["c1ccc2c(c1)ncn2C",-11.527815670077228],["▁CN1C(=O)CN=C(",-11.52794585824514],["/C=C/C(=O)NO)cc1",-11.527952122806964],["/N=C(\\S)NCC",-11.527973064340758],["c3cc(Cl)ccc23)",-11.52802131335204],["c(N3CCOCC3)n2)c1",-11.52831721568605],["C1CCC(=O)NC1=O",-11.528370831494534],["-c2nnn[nH]2)cc1",-11.528449227208156],["1CCC2(CC1)CCN(",-11.528464947200105],["C3(C)O",-11.528480434256284],["NC1=Nc2ccccc2",-11.52852337044918],["[C@@H](C)CO)",-11.528570735031924],["▁COc1ccc(CCN(C)",-11.528590845861016],["C1=NOC(C",-11.528629337744958],["▁Cc1nc2nc",-11.528680238161009],["C3=NCCCN3",-11.528697972535234],["c2ccccn2c1=O",-11.528784985726428],["c2=S)",-11.52885447398146],["▁Cc1ncoc1C(=O)N",-11.528973059615444],["/N=N/N",-11.52898651694658],["N2C(=O)CS",-11.529016512600537],["▁O=c1oc(O",-11.529099857706017],["C2=CCCC2)",-11.52938857958834],["c1ccc(-n2cncn2)c",-11.529424287788828],["c1ccc2nc3c(nc2c1",-11.529622168345464],["Cc1c(C(=O)O)",-11.529661329344378],["[C@H]1C[C@H]1",-11.529686776271092],["3)n2)n1",-11.529764605399466],["Cn2c(=O)n(C",-11.529841539567297],["CN(C)C3)",-11.529899540256409],["▁Nc1nc(F)",-11.529902938914274],["c(C(=O)O)c(N",-11.5299558135549],["n1-c1ccccn1",-11.530071469003497],["C(=N\\O)",-11.530375824965368],["c3cc(C(N)=O)ccc3",-11.530570869234776],["c(C)c(C(=O)NC",-11.530640473252213],["C)C2)C1",-11.530676287933153],["▁Cc1cccc(CNC(=O)",-11.530703014111795],["▁CNCc1cc(",-11.530831148997883],["▁COCCNc1nc(-",-11.530913461116484],["(Nc2ccc(Cl)cc2)",-11.530929075846336],["N1CCc2[nH]cnc2C1",-11.53097894752679],["c1cnc(N)nc1",-11.530995246353903],["N1C(=O)C=CC1=O",-11.531002788227742],["COc1ccccc1-2",-11.531105737871172],["Sc2ccc3nn",-11.531144782115607],["n1cc(C(N)=O)c(Nc",-11.531180289914376],["c2cn(C)nc2C)",-11.531231823171415],["▁Cn1ncnc1",-11.531244420412158],["CC(=O)O)c(Cl)c1",-11.531327931177508],["n2C1CC1",-11.531364681403035],["c2nc(C)ccc2",-11.531474637667078],["c1cc(C(=O)OC)c",-11.53149361047218],["▁O=C1CC[C@@H](",-11.531495867499626],["▁CCN(C)C(=O)",-11.531604823757746],["C=C2C(=O)NC(=O)N",-11.53173833615212],["▁O=c1c2ccccc2n(C",-11.531755925205116],["c(Oc2c(Cl)cnn(",-11.531880946350386],["c(-c2nccn2C",-11.531894858467409],["=C3S",-11.531976301673938],["▁CCCC1(",-11.531982977862206],["▁CC(=O)c1cn(C",-11.531990879751753],["c1ccccc1)C1CCN(C",-11.532024259724375],["(=O)n(O)c(=O)",-11.532026716726357],["c1cnc2ccccn2c1=O",-11.53203955696003],["-c2ccc3c(c2)C2(C",-11.532051446530632],["[C@@H]2CC[C@H]3",-11.532071451404963],["c(NC=O)c",-11.532198334049244],["OC[C@@H]2CCN2)c1",-11.532271725263474],["▁Fc1cccc(-c2n",-11.532420126724508],["c1ccc(C#Cc2ccnc(",-11.53255502511242],["CC[C@]2(C)c3cc(O",-11.53266743158733],["C[n+]1ccc2c",-11.532676994754834],["c1nc2nc(C)",-11.53272733642973],["c2ccc3c(c2)-c2n",-11.532732955687894],["▁CN1CCOC(",-11.532893276274145],["C2O)cc1",-11.532920461325674],["c(O)cc2o1",-11.533083266692246],["c1ccnc(-c2cc",-11.533085859181424],["[C@@]1(C(=O)O)CC",-11.533137639888338],["[C@@H]3CC[C@H](",-11.533205678984595],["c2c(n1)c(C)nn2C",-11.533207823674964],["c1ccc2oc(=O)cc(C",-11.533234439086216],[")=N1",-11.53341394390449],["▁Cc1cccc(N2C",-11.533437326975282],["▁CC(=O)Nc1cc(N",-11.533491412960348],["C(C)(C)C)s1",-11.533523165865423],["c(c1)",-11.533610725776317],["CC3(O)C",-11.533758720176223],["c4ccc5",-11.533783816064512],["C(=O)[C@@]1(C)",-11.53385555901718],["▁Cc1ccc(C)c2c1",-11.53387366116922],["c(-c3ccncc3)cc21",-11.53388924324168],["N2CCCC(C)C2)",-11.533925011687854],["▁O=C(/C=C\\N",-11.533946943645455],["-n2cccc2)c1",-11.53397228719462],["c(=O)n(C)c2=O)",-11.534060334972835],["▁Nc1cccnc1",-11.534090130679758],["c1nnc2n1CCC2",-11.5342391255285],["c(OCCCN2CCCCC2)",-11.53426259206126],["▁Br.N=C(N)",-11.534272355958826],["o2)c(O)c1",-11.534272471899277],["c2nn3c(=O)c",-11.534339161352246],["CC(C2)C1",-11.534365002570954],["COC(=O)CO",-11.534413647958882],["sc4",-11.53447972056678],["ncc2n1",-11.534499674055612],[")N1CCc2c(",-11.534507163581283],["C2CCCC2)s1",-11.534554900031948],["c3c2c(C)nn3",-11.534677011105844],["(C=C(C#N)C#N)",-11.534753678551493],["c4cccc5ccccc45)",-11.534759026107087],["c(NC(C)=O)cc3)",-11.534885036981663],["c1cncc(-c2c",-11.534898682231583],["▁N#Cc1ccc(-c2ccc",-11.534946425902548],["c1nc2ccc(F)cc2",-11.535003997309271],["nsc1N",-11.535033897607594],["▁COc1cc(/C=C/c2c",-11.535054306554493],["▁O=c1[nH]nc(CC",-11.535060464197908],["c(C)cc4",-11.53518152770259],["[C@H]3C2)nc1",-11.53524275967687],["▁O=S1(=O)N=C(",-11.53526393044833],["▁Cc1ccc(-c2nc(CN",-11.535329353731887],["c1cnnn1-",-11.53540940753432],["OC(F)F",-11.535460040071964],["N3CCNC(=O)C3)",-11.535525556725876],["▁NCCNc1cc",-11.53568166286695],["▁c1ccc2c(c1)N",-11.535696627489946],[")c1cc2ccccc2cc1O",-11.53571323205793],["c2ccccc2-3)CC1",-11.535766203204313],["▁Fc1ccc(-c2cc",-11.535773707267705],["n(-c2ccccc2)c1C",-11.535775139084082],["[C@@H](N)C(=O)O)",-11.535813720645136],["C1Cc2ccccc2O1",-11.535833391358446],["n2c(C)nnc2",-11.536009472106825],["[C@H](N)CN1",-11.536015623499736],["C(COC)",-11.536078558357854],["C1(O)c2ccccc2-",-11.536280657061432],["n1c(=S)",-11.53637178094967],["c(S(=O)(=O)N3CC",-11.53637715856917],["▁O=C(O)Cn1c(=O)",-11.536555339114576],["c(-c3ccoc3)c",-11.5365924065183],["c1cc(Br)ccc1-2",-11.536596120970534],["c3c(C)cc(C)cc3",-11.53679682363032],[")N[C@H]1CCOC1=O",-11.536820616592944],["([N+](=O)[O-])=C",-11.53685288786906],["nc2ccc(Br)cc12",-11.536875920557474],["▁COC(=O)N1C",-11.536907688771612],["COc1ccc2c(=O)cc",-11.536985454993363],["C(N(C)C)=N",-11.537025888092623],["sc(C(=O)",-11.53707205123191],["c2ccc(C#N)cc12",-11.537147762139655],["▁COc1ccc(Cl)c(",-11.537218169663795],["2CCN(c3ccccc3F)C",-11.53731766087034],["c1nn(Cc2ccccc2)",-11.537325257645591],["n2)cc(OC)c1",-11.537451197031334],["▁CCOc1ccc(-c2cc(",-11.537500868747854],["[C@@H]1CNCCO1",-11.537552762804983],["c3ccccc3c2s1",-11.537675360609107],["cc(-c2cnc3cn",-11.537780552985],["▁O=c1nc(-",-11.53782679268384],["Cn1cnc2sc",-11.53797499972772],["▁CCN(CC)C(=S)SC",-11.53805662509406],["▁CC1(C)C(C(=O)",-11.538067914488128],["▁Fc1cnc(N2CC",-11.53809972372298],["▁CCC(C(=O)NC",-11.538138089023914],["c2cccc(C)n2)cc1",-11.538208419766027],["nc(N)nc3",-11.538233218892994],["C[C@H]2S1(=O)=O",-11.538267829719617],["-n2c1n",-11.538356138032988],["n2ccc3ccccc32)",-11.538446952831826],["CC(N)P(=O)(O)O",-11.538560257725354],["▁COc1cc(C(C)C)c",-11.538569871772085],["c2c[nH]c3cc",-11.538784998945353],["c3)C2)cc1",-11.53883863420138],["c3c(C(F)(F)F)cc",-11.538946010162764],["/C=C/C=C(\\C)",-11.538965229163905],["▁CCOC(=O)C1C(",-11.539001821822769],["c(N2CCN(C)CC2)n1",-11.539188947905457],["c(O)cc3o2)cc1",-11.539377740483127],["c[n+]1CC2",-11.539378990691375],["c1ccc(C2=C",-11.539511049353866],["/C1=C\\C=C\\",-11.539522943748466],["[C@H]1CC[C@]2(C)",-11.539589590585456],["3Cc4ccccc4C3)",-11.539773051769606],["CSc2ccccn2)",-11.539794799196214],["nc2ncnc1-2",-11.539809741247977],["c2nc(C3CC3)n",-11.539902571799026],[")C1CN",-11.540072014533338],["c3c4ccccc4nc-3",-11.540156701296642],["cc3c2=O)c1",-11.540303783538878],["C2CCC(=O)N2",-11.540376760937132],["N(CCC)",-11.540444970222625],["C(CCO)C1",-11.54065990812909],["CC2)N1",-11.540666291495755],["=C2N(Cc3c",-11.54071253298363],["c3cc(OC)c(OC)c",-11.540746851866498],["c1ccc(Cn2cn",-11.540839264713114],["2COC3(",-11.540875246513025],["CN(c1nc",-11.54089294963049],["c3c(o",-11.54089942572207],["c3nnc4ccccn34)",-11.540935630503718],["C(=O)C3=COCCO3)",-11.54095217513127],["N2Cc3c",-11.540992532086277],["▁CN(C)C1CCN(",-11.541039698494073],["2c3c(c",-11.541090820216432],["▁CN1C(=O)C[C@H](",-11.541132566730676],["▁CCCCNS(=O)(=O)",-11.54117198437176],["▁COc1cc(C=O)c",-11.541187292769107],["c3ccc(OC)c(O)c3)",-11.54119590365834],["[C@@H](O)[C@@H]3",-11.541247028617146],["nc(C)n3C)",-11.54125256336344],["▁CC1CCC2",-11.541327894747866],["nc2c(=O)n(C)c(=",-11.5413413317531],["c(=O)oc3ccccc23)",-11.54140892347586],["C[N+]12C",-11.54142408915146],["C(C)=C(C)",-11.541461133076233],[")Nc1ccc2ccccc2c1",-11.541490491931285],["▁CCC(=O)Nc1n",-11.541495920063348],["c2nc(SCc3ccccc3)",-11.541723463306113],["CCNCc1c",-11.54187472582107],["C(=O)O)c(Cl)c1Cl",-11.541976534960437],["n2ccnc2-",-11.54201595587032],["ccc2c(=O)c",-11.542035032161031],["▁Cc1ccccc1/C=C/",-11.54211249786283],["c4c5c(",-11.542249311220392],["S(C)(=O)=N",-11.542339419185067],["c3c(C)nc(N)nc3n(",-11.54234595006161],["c(=O)c2c(N)sc",-11.542353702362403],["c(c34)C[C@H]2N(C",-11.542475799903317],["▁CC(C)NC(=O)N1CC",-11.5424867206317],["[C@@H]4CCOC4)",-11.54250211056874],["[P",-11.542581963165262],["▁O=C(CCC(=O)N1CC",-11.54258903196562],["c1cc2ncnc(Nc3ccc",-11.542638853390605],["c3onc(C)c3",-11.54265459589238],["c(Nc3ccc(F)cc3)n",-11.542710311497084],["▁Cn1c2c(c3cc(",-11.542720719325937],["▁CC(=O)Oc1cccc(",-11.542780623190067],["▁CC(=O)SCC(C",-11.542984091759198],["▁O=C1N=C(",-11.542984735766815],["C1(C#N)CCCCC1",-11.542985632197372],["▁CC(=O)N(C)CC#CC",-11.54304766970125],["▁C[C@@H]1NC(",-11.543055164018648],["▁CC1(C)Oc2ccc(",-11.54307098404272],["c2c3ccccc3n(C)c2",-11.54319496451185],["▁C[C@]12CC[C@H](",-11.54325215090669],["C(C(=O)c2ccccc2)",-11.54334895775014],["c1cnc(C)cn1",-11.543407076706645],["c1=O)CCCC2",-11.543477311163226],["c2ccc(O)cc2)C1=O",-11.543602370688715],["3CCOCC3)c2)cc1",-11.543649385270257],["▁C=C1C=C",-11.543656226333344],["c1cncc(F)c1",-11.543798968345044],["CN(c3ncc(F)cn3)C",-11.543829823356855],["▁Cc1oc2nc",-11.543862969525089],["▁CCNC(=O)c1cc",-11.54388349946593],["C(O)CC2",-11.543902915726068],["[P+](",-11.543940072768644],[")c1c[nH]cn1",-11.54395461709097],["C3C4C",-11.544005184089697],["▁Cc1nc2sc",-11.544011601086057],["N=C1CCCCC1",-11.54404991430293],["▁C[C@]1(CO)",-11.544068138975009],["c2ccc(-c3ocnc3",-11.544113527931868],["c1cc(Cl)ccc1F",-11.544186168478488],["C(C1)N2",-11.5441875387599],["c3ccccc3)ccc2c1O",-11.544275351140234],["CCN(C)CC1",-11.544294441103434],["C(N)=C",-11.544305261282442],["▁COc1cc(N2CC",-11.5443165086639],["N5CCCCC5)",-11.544473278682467],["c1c(C)nn(C",-11.544524088589124],["c3c(cccc3OC)C",-11.544605235867898],["c2nc[nH]n2)cc1",-11.544679009247735],["c(NCCc3ccccc3)",-11.54476433828296],["N(C)C(=O)NC1",-11.544811221159751],["COC(=O)c1ccccc1O",-11.544921071563849],["c2cc3c(c4c2",-11.544970750199049],["▁O=C(O)C1=C(",-11.545010460184796],["=NN2)cc1",-11.545115776525686],["cnc-3",-11.545143538766776],["=NCCN",-11.545285153250134],["NC(=S)NC2=O)",-11.545288864393376],["▁N#Cc1ccc(-c2n",-11.545315369918653],["▁C=C(C(=O)OCC",-11.545501000824595],["▁COc1ccc(F)cc1-",-11.54552669363808],["COC(=O)C2=C",-11.545609063255268],["C1CC(=O)N(CC",-11.545618393480115],["Nc2cc(C)nc3c",-11.54567084841479],["▁C[C@@H]1O[C@@H]",-11.545677594745644],["Nc2nc(C)cc(C)n2)",-11.545781066654769],["[C@H]1C=C[C@@H](",-11.545788814239014],["C[C@@H](C(C)C)",-11.546170549000156],["@]3(O)[C@H]1C5",-11.54618593972726],["cc2)oc1=O",-11.546188503073854],["nc3ccc(OC)nc3",-11.546233377724093],["C[C@@]12CCC",-11.546270223505507],["n3cc(C)",-11.546281596649258],["c3ccccc3)c2)n1",-11.546431876609343],["/C=C\\C/C=C\\CCC",-11.546458597816304],["CSc1nc[nH]n1",-11.54656810508174],["c(-c4ccccc4)n3)",-11.546602743145066],["NC(=S)SC",-11.546621814728688],["c2ccccc2)C1.Cl",-11.546782940810662],["▁CC(C)(C(=O)O)",-11.546802705359784],["Nc1nc2c(c(=O)",-11.546831673208318],["CN2C[C@@H]3",-11.546899362308164],["c(-c2cccs2)nc1",-11.546942685824297],["▁Cc1nccc2",-11.547014060371303],["n1c(-c2cccs2)n",-11.547073931617494],["n1nc(C)cc1C",-11.547111860204351],["c1cc(F)ccc1-2",-11.547118463155911],["c2nn(C)c3c2C",-11.54733244698878],["▁CC(C)N1CCC(O",-11.547379665118386],["(-c2ccccc2)cc1)N",-11.54768372011359],["▁N=C(S",-11.547720515437437],["▁CC(C)=CCN1CCN(C",-11.547730400326827],["▁COC(=O)N1CC",-11.54778236219181],["▁c1coc(",-11.547830792653318],["CC(C(N)=O)(",-11.547840398470465],["n1cc[n+](CC(=O)",-11.547881285082315],["[C@H]2C3C=CC(",-11.547887530076029],["c(-c2nc(-c3ccc",-11.547889032759496],["c1ncnc2c1c(-c1cc",-11.548058473480934],["C(=O)N2C)cc1",-11.54809373174488],["C2=CN3CCC2CC3)",-11.54843405429595],["c2c(CO)c",-11.548550500970835],["N3CCC4(CC",-11.548565601713769],["▁COc1cccc(-c2no",-11.548609946114336],["▁O=C(Nc1ccon1)",-11.548767258699316],["N2CCNC(=O)C2)",-11.54883008816068],["=C(N)N",-11.54890016176078],["nc4s",-11.548910503792223],["c2ncn(-c3ccccc3)",-11.548966406565064],["2CCC(C[C@H]1",-11.548989966992094],["cc(C)c1C",-11.549002999596356],["OC(C)(C)O2)",-11.549129002488757],["c(-c3ccncc3)no2)",-11.549172487575351],["2CCN(C)CC2)cc1",-11.549230953542306],["[C@@](N)(C(=O)O)",-11.549237776881723],["C2=N/C(=C\\",-11.549414379622537],["1N=C(c2cccs2)CC1",-11.549445186744997],[")c1sccc1C",-11.549448447360122],["-n2cncn2)",-11.549545178143068],["C12C=CC(",-11.549610682794173],["▁O=c1cc(N2CC",-11.549759531427176],["▁CC(=O)c1c(N",-11.54977483094296],["c1cc(Cl)ccn1",-11.54987067287638],["C2CC3CCCC(C2)N3C",-11.549919264718604],["c(-c2cnc(C(=O)CC",-11.550116736964698],["cc(-n2cnnn2)c1)",-11.55028129982679],["▁CC12CCC(=O)C=C1",-11.55033971756089],["C(=O)NCCCl",-11.550411172550676],["▁Cc1cccc(Nc2nc(N",-11.550423555000172],["C1OC2(CCN(C",-11.550489909985629],["/C=C(\\CC",-11.550504690410971],["c2c3n(",-11.5505254585206],["[nH]2)nc1",-11.55054762461743],["c1c(cc",-11.55055177316347],[")\\c1ccc(",-11.550566151439703],["▁O[C@H](C",-11.55058678197978],["▁COc1cccc2[nH]c",-11.550761103166383],["c3c(F)cc(F)cc3",-11.551003326989338],["=C(CCC(=O)NO)",-11.551039074355971],["▁CCN1/C(=C/",-11.55104006194795],["c3cccc(N)c3",-11.551054563852889],["c(-n3nc(C)cc3C)",-11.551122717986006],["CCN1CCCCCC1)",-11.55115673009119],["CN(CC4CC4)C",-11.55122226769885],["▁O=C(C[n+]1cc",-11.551335476818933],["cc2)sc1-c1cc",-11.551374255889012],["3nc(C)cc(C)n3n2)",-11.55144016737216],["ncc1C(=O)N",-11.551538115864872],["N4CCCC4=O)",-11.551543562872537],["c2sccc2C(N)=O)",-11.551555558162622],["▁O=C1N[C@@H](C",-11.551566001233915],["NC(=O)CSc2nnnn2",-11.551609464701928],["c2nc3ccccc3nc2-",-11.551612423751234],["▁CC1(C)Cc2cccc(O",-11.551622459939727],["▁O=C(CSc1nc(O)",-11.551657962334565],["c(C(=O)N3CCCC(",-11.55166557379855],["NCCCCCCN",-11.55175740427425],["2=O)no1",-11.55185085356808],["C[C@@]43C)[C@@H]",-11.551929011801654],["c2)c(Cl)c1",-11.552019577238266],["CSc2ncccn2)",-11.552043992437955],["nc3c2ncn3C",-11.55210263548821],["▁CN(C)Cc1ccc(C",-11.552214841487988],["▁CCC(Oc1ccccc1)",-11.552302891380698],["C(=O)c1nc(Cl)c(N",-11.552329489297009],["▁CC1=CC(C)",-11.55241958983453],[")c1cscn1",-11.552647775604164],["▁NCCCNCCCCNCCCN",-11.55272438802755],["▁CCCCCN1C(=O)",-11.552786383397873],["@H](F)C[C@H]1C#N",-11.552866352776965],["nc(NCc3ccccc3)",-11.55289227396379],["▁NC(=O)c1nc(",-11.552924237269416],["[C@@H]3CC=C4",-11.552948582486623],["C2CCCCC2)O1",-11.553053309331345],["▁Cn1cc[n+](COC",-11.553133279101036],["▁CC(C)(CO)NC(=O)",-11.55319023153968],["▁O=c1c(O)c(",-11.553202766337648],["C[C@]2(C)C(=O)CC",-11.553232597592968],["c3ncc(Cl)cc3",-11.553358243327953],["c[nH]c3ccccc13)",-11.553379878630842],["c1ccc(Cl)cc1)CC2",-11.553493272135626],["[C@](C)(C(=O)O)",-11.553502128755566],["c2ccnn2C",-11.553623823897992],["NC(=O)Cn2c(=O)",-11.553705729108897],["c4ccc(F)cc43)",-11.553744350792153],[")NCC1CCCCC1",-11.553797350248397],["N2CCC(N(C)C",-11.553861152891557],["▁c1ccc(CNc2nc",-11.553917920041672],["2CCN(CC3CC3)CC2)",-11.554136297144655],["cc(-c2ccccn2)n1",-11.55418552529826],["cnc3c(O)ncnc32)",-11.554196001107574],["▁COc1cc(O)c2c(",-11.554253544477454],["CCO5)",-11.55425381223284],["n(C3CC",-11.554267844018538],["N=C(N)N)cc1",-11.554271691002224],["▁Cc1ccc2nc3c(",-11.55437687832404],["C)(C)NC(C)(C)C2)",-11.554506067238773],["C1=C(C)NC(C)=C(",-11.554571059870952],["OC[C@H]23)",-11.55466364889033],["n(-c2ccc(C)cc2)",-11.554694962377436],["c3)oc2c1",-11.554749256783564],["3CCC(N",-11.554761151363127],["CN2c3ccccc3",-11.554853672050806],["[C@@]2(C)CC1",-11.55492878635939],["▁CCC1O",-11.555029550886143],["c(-c2ccco2)nn1",-11.55505877174368],["C3CCCN(C(=O)",-11.55514962605497],["▁CCc1nnc2",-11.55516300530192],["cc(Cl)c(-c3ccc(",-11.55525930961679],["▁N#Cc1ccsc1N",-11.55532016853078],["N(CCCO)C",-11.555790068504376],["c3ccccc23)c(C)c1",-11.555853110197408],["CC(c2cccnc2)",-11.555965267865698],["NC(=O)c1ccoc1C",-11.555984350620028],["c4c(O)cccc4",-11.556028020695472],["(-c4cccnc4)cc23)",-11.556178211216844],["nc(N3CCOCC3)nc2",-11.556198244627613],["c2[nH]c(=O)c(C",-11.55630404604292],["Oc3ccc(Cl)cc32)",-11.556359630790912],["[C@@H]1CC[C@H]2O",-11.556372900360296],["C#CC[N+](C)(C)C",-11.556383758401706],["ccc1-c1noc(C",-11.556430657437373],["C3(C)CC3)",-11.556484012839588],["[C@H]2[C@H]1CCN2",-11.556487934555728],["3CN4CCC3CC4)",-11.556568374065256],["CCNC1=NS(=O)(=O)",-11.556639592359325],["CCN2CC=C(",-11.55664207109474],["C(=O)N(c3ccc",-11.556661640028707],["▁Cc1n[nH]c(",-11.556689820833906],["C(=O)Nc2ccc3[nH]",-11.556827902827669],["c(O)c(Br)c",-11.55682929030288],["▁CCN(CC)CCOc1cc",-11.55692651059979],["▁CC(C)c1nccn1",-11.557030371452194],["c3[nH]c4c",-11.55709498744041],["c(N2CCCC2)nc1",-11.55714453018794],["C[C@H]3C)",-11.55714553788777],["C[C@H]2O)cc1",-11.55717671935649],["(=O)Nc4ccccc43)",-11.557360777970558],["▁CN(C(=O)N",-11.557382962099188],["Oc1cccc2ccc(N",-11.557414508081717],["O/N=C(\\Cl)",-11.557429012538762],["nc(-c2ccccc2C)s1",-11.557429943240148],["c2cccc(C(C)C)c2)",-11.557491462885604],["▁[O-][n+]1onc2cc",-11.55752725854012],["(/C=C/CO)",-11.557627812867716],["OC(F)(F)O",-11.55771803420672],["N(Cc3ccccc3)CC2)",-11.557802700737492],["[nH]c2C1",-11.557920231467945],["▁CC(C)C(O)(",-11.557940096416562],["(NC(C)(C)C)",-11.558083885202038],["▁O=C(c1cc(CO",-11.558126924398],["=C2c1ccccc1",-11.5581326039355],["▁O=C(NCc1ccc",-11.55818151716249],["n1c(S)nnc1-c1cc",-11.558199398500353],["=CC(=[N+]",-11.558238394898284],["c(C#N)c(SCC(=O)N",-11.558296389194355],["c3cncn3",-11.55860743559318],["OCC1CC1)",-11.558623117834228],["▁C=C1CC(C",-11.5586259178256],["c3c(=O)o",-11.558688747888628],["c(O)c(O)c2)cc1",-11.55882702925962],["▁CC(C)CCOc1ccc(",-11.558832278493032],["c3nncn3C)",-11.558845055921369],["N[C@H]2C[C@@H]2",-11.558906298788376],["c3cn(C",-11.55897405123183],["▁CCC[C@H](NC(=O)",-11.559062417269525],["O)c(C)c1",-11.559159051979377],["▁CC1=C[C@@H]2",-11.559299600353595],["▁N#Cc1ccc2[nH]",-11.559334882079105],["▁COc1ccc(C(C#N)",-11.559357228872257],["▁CC1(C)C(",-11.559492468504242],["▁CC1=C(O)",-11.559540840628827],["cc(Cl)c2cccnc12",-11.559618781322492],["▁Clc1cccc(-c2c",-11.55972007858812],["▁CSc1nc(-c2ccc(",-11.559732092421902],[")N1CCOC(",-11.559757609435708],["c1ccc(O)cn1",-11.559767970695397],["C4)C3C2=O)",-11.559846694373787],["c2c(n1C",-11.559860572410756],["(CN3CCN(",-11.559868227192418],["2CCCC(C(=O)c3ccc",-11.559873508938797],["▁COc1ccc(-n2cn",-11.56002436030964],["c(-n3cc(C",-11.560071666065149],["C(C(=O)O)C2",-11.560080374500492],["-c1cc(C(=O)NC",-11.560166647779294],["ccc2c(c1)CCNCC2",-11.560215609940382],[")(C(=O)O)C1",-11.560400433766947],["c1ccco1)CC2",-11.560421225411387],["[C@]1(O)CCN(",-11.560449313495468],["OCC(CO",-11.560648694245806],["C[N+](C",-11.560694871634462],["c2nc(N(C)C)n",-11.56070451971239],["▁c1ccc(-c2noc(",-11.560713148957744],["c2cc(N)nc",-11.560764053201767],["[C@H]3CC[C@H](N",-11.560815259165024],["▁CCCCC[C@@H](O)",-11.56085284685446],["[N+]12CC",-11.560868850757334],["N(C)CCO)",-11.56093165381368],["OCCN2CCCC2)cc1",-11.56100006187228],["Cn1c2c(c(=N)c3c",-11.561125152236794],["C(=O)Nc1c2c(nn1",-11.56127416476404],["C[N+](C)(C)C)O",-11.561282071201372],["n(CC3CC3)",-11.561418933886957],["Cc3ccccc3)c2n1",-11.5614585053082],["c1ccc(-c2co",-11.561485833719289],["n(C3CC3)c12",-11.56162762438474],["c1ccsc12",-11.561649862041682],["/N=C/c1ccc(F)cc1",-11.561798011936949],["1CCCC(C(=O)c2ccc",-11.561799914429304],["2)c(O)c1",-11.561854833794367],["▁CCOC(=O)C(/C=N/",-11.561860712813653],["▁COc1cc(-c2nn",-11.561895069433444],["n2cnc3c",-11.56190106627118],["nc(SCc2ccccc2)",-11.561903794506836],["4CCCC4)C3)",-11.561903870304814],["-c3cccs3)no2)CC1",-11.561919392598254],["c3ccc(C)c(Cl)c3)",-11.561937877346327],["cc2N)cc1",-11.56209704204322],["C(=O)C=C1N",-11.562166215300785],["noc2c1",-11.562182074229613],["c(-n2cnc3c(sc4nc",-11.562285187508408],["CN2CCCCC2C",-11.562291040540597],["c2nc(-c3ccc(C)c",-11.562372768725837],["c1ccccc1-c1nc(-",-11.562412106901338],["c1sc(C)c(C)c1",-11.562496400654284],["c3cncc(Cl)c3)",-11.56256345018078],["CCCC(=O)O)cc1",-11.56262338174449],["c2)c1Cl",-11.562728827854848],["O)[C@@H]1CCCN(CC",-11.56301363473814],["c2cccc[n+]2",-11.563014352091194],["c3cnccc32)",-11.563028466922786],["n(-c3ccccc3)c2C)",-11.563045007808114],["(C(N)=O)c(N)c12",-11.56309608184204],["▁CCc1nc(C)c(",-11.563131758666596],["(C3=NCCN3)",-11.56318256194693],["c1nc(O)c2c",-11.563202108533153],["ccc1SC",-11.563205519561135],["c1cccc(Br)c1)N",-11.563267451753712],["n1-c1ccc(Br)cc1",-11.563311956997012],["c2oc3ccccc3c2C)",-11.563351929491173],["C(=S)OCC",-11.563392755068444],["▁CC1OC(",-11.563459852838127],["n(c23)C[C@@H]1C",-11.563573507045144],["c(CC=C(C)C)",-11.563664197096529],["c3cccnn3)",-11.563743680847292],[")c1nncn1C",-11.563764756960524],["C1)O2",-11.563785423377755],["CCCCC2)CC1",-11.5638342397818],["C[C@H]1[C@H]2C",-11.563987713592557],["C3CCCN(C",-11.564010557993411],["▁COc1ncccc1CN",-11.56403886293215],["c2nonc2N)",-11.564152294487457],["▁CNc1cccc(",-11.564417233326177],["cc3c(c21)C1CCC3",-11.564560555666656],["c5[nH]ccc5c4)",-11.564561587421302],["c3nc(C4CC4)no3)",-11.564566781313433],["c(O)c(C(C)C)c1",-11.564589813649864],["N1CCC2(C1)",-11.564607974213596],["c3nnc(C)o3)",-11.56462331110563],["/C(O)=C(/",-11.564634698630227],["OCC(F)(F)C(F)F)",-11.564687913558249],["c3c(ccc4ccccc34)",-11.564699114727736],["c1ccc2snnc2c1",-11.564700925271746],["c3c(ccc(O)c3",-11.564726725078955],["NC(=O)/C(=C(/C)N",-11.564728436756246],["C1(C)C=C",-11.56473000555137],["C[C@@]3(C",-11.564859200867394],["cc2)cn2ccccc21",-11.564875564316752],["c1cc2cc3c(cc2nc1",-11.56490277461249],["▁Cc1ccn2c(C",-11.564923652447693],["c2)c1F",-11.564937828005416],["OCCC(=O)OCC(=O)N",-11.564989997120604],["c(=O)[nH]2)ccc1C",-11.565013786923991],["nn3-",-11.565104574648537],["▁CO/C(=C\\",-11.565112493903332],["N(C(=O)c2ccc",-11.56515008978203],["c3cc(F)ccc23)",-11.565160054201607],["NC(=O)NC3=O)c2n1",-11.56517075019224],["-c3ccccc3)n2)cc1",-11.565219831361675],["▁CCOc1cc(/C=N/N",-11.565252904766718],["▁Cc1nc(C#C",-11.565311279593097],["N(C)S(C)(=O)=O)",-11.565327121341465],["c1ccc2[nH]nnc2c1",-11.565329613549787],["cc(C(=O)NO)c",-11.56535953925634],["(O)nc2ccccc12)",-11.56542016917416],["c1sc(NC(=O)",-11.565420524026855],["▁N#Cc1cccc(-c2n",-11.565439049430465],["CSc2n[nH]c(N)n2)",-11.565440651386364],["c1nnc[nH]1",-11.565495784131256],["c2onc(C)c2C)cc1",-11.565587176345792],["C(=O)Nc2ccccc2N1",-11.565632767650785],["C2C(=O)c3ccccc3",-11.565692202039884],["▁O=C(NC(=S)Nc1cc",-11.565693995263295],[")cc4CC[C@H]3",-11.565732271535373],["2)NC(=O)N1",-11.565786797340015],["n2cc(C3CC3)nn2)",-11.565794513317728],["cn2c1C)CC",-11.565877753944804],["C(C)(C)CCC3(C)C)",-11.565932438398544],["oc(=O)c1ccccc12",-11.565951270492256],["c3ncnc4ccccc34)",-11.565966013218445],["N(C(=S)",-11.565997418319048],["▁CN(C)CCCOc1cc",-11.566015191980698],["c2nccn2-",-11.566082626050244],["nc2ccccc2c1N",-11.566110617228254],[")NCC(F)(F)F",-11.566132034817674],["c2ccc(F)cc2c1=O",-11.566179742874697],["CCNCc1ccc(",-11.566309100319051],["c1ccc(N/C(S)=N/",-11.566322915240711],["▁CCCCCC/C=C/",-11.56647954820374],["▁CCc1nnc2c(N",-11.566626772526554],["▁CCOC(=O)/C=C1\\",-11.566637247767856],["N(CC)CC)cc1",-11.566681413518303],[")\\c1ccncc1",-11.56670757020554],["CC4C3",-11.56672593202364],["cc-2c1=O",-11.566783202683782],["c1cc2c(s1)CCCC2",-11.566805109520375],["-n1c",-11.566820346525564],["C12C(=O)N",-11.566919414930489],["▁O=C(NCC1CCNCC1)",-11.566982457179474],["nc(-c2ccccc2)n1-",-11.566982679626502],["2CCOCC2)cn1",-11.567007069677494],["C3CO3)",-11.567122301543458],["▁O=C([O-])C1=C",-11.56716102709964],["c(-c2ccccc2)sc1",-11.567216780836764],["c2cc(C)ccc2OC)",-11.567262805499322],["▁Cc1cc(=O)c(O)c(",-11.567297373937],["c(Cl)c2cccnc2c1O",-11.567324797341888],["[nH]ccc13)C2",-11.567391469873606],["▁O=C(O)c1cn2c3c(",-11.567418615409943],["(CC(=O)c1ccccc1)",-11.56741996206614],["n2)ccc1F",-11.567423808231103],["C3CC4CCC3C4)",-11.56751536714502],["c(Oc2ccccc2)c1",-11.567568774531086],["ccc12)C1CC1",-11.567578339044308],["3CCN(C(C)=O)CC3)",-11.567580778430209],["CNC(=O)C2CC",-11.567698071344328],["c1ccc(F)c(-",-11.567728452200068],["c3c(Cl)cccc23)",-11.567740523006243],["C(CN)CC(=O)O",-11.567756320498226],[")[C@H](C)O",-11.567800654250185],["C(C)(C#N)",-11.567820315128056],["c(C(=O)N(C)C",-11.56783482684028],["C1CCCCCCCCCCC1",-11.56786255054139],["N1CCCC2(CC",-11.567932230384878],["▁Cc1ccc(Cn2c",-11.567966538729376],["OC(=O)[C@H](C)",-11.567984437520137],["nc(NC3CCCCC3)",-11.56800485985114],["▁COCCCN1C",-11.568010802947969],["c2ncn(Cc3ccccc3)",-11.568128536000687],["n(c3c2)CCCNC4=O)",-11.568158532329829],["c3ccccc3)c2)CC1",-11.568293276645742],["▁NC(=O)c1c(N",-11.56840138641103],["c1ccc(-c2cccnc2)",-11.56841040218404],["N(C)C)CC3)",-11.56849967225334],["▁CC(C)CCn1c(",-11.568592081259125],["n(C)c1=S",-11.568640425716946],["▁NC(S)=N",-11.568655409502606],["c3oc(C)",-11.568777365902749],["(C)c(=O)n3C)n2C)",-11.568789859685271],["[C@@H]1CC[C@@]13",-11.56895917647041],["N)CC2)",-11.569028463598094],["[C@@H]2C[C@H](C",-11.569180860347442],["(Oc3ccc(F)cc3)",-11.5691844967575],["c1ccc2c(Nc3cc",-11.56919084279501],["]12COC[C@H]1CN(C",-11.569352867449693],["N(CC1CCOC1)",-11.569373276889223],["nc(-c3ccccn3)n2)",-11.569389146479793],["▁CN(C(=O)CO",-11.569791169319394],[")NCCCN1CCOCC1",-11.569834606519866],["c3)nc2n1",-11.56984819846484],["N3CCOCC3)c2c1",-11.569869452318514],["N1CCc2[nH]nc(",-11.56990918351266],["[PH](=O)O",-11.569978725833383],["c2ccc(Nc3ncc",-11.570029911109408],["(OC)cc2OC)cc1",-11.570136576202303],["2)cc(OC)c1O",-11.570323992076876],["▁CC1=CCC(",-11.570360015937094],["c3ccccn23)cc1",-11.5704212260903],["c3ccc(C)cc23)",-11.57064907916007],["3[nH]ccc3c2)cc1",-11.570838878362336],["C1(C)NC(=O)",-11.570857409444129],["c2ccccc2)c1C#N",-11.57086709746349],["=NN2c2ccccc2)cc1",-11.57091947209894],["C[C@@H]4C3)",-11.570955355850536],["[N+](=O)[O-])c(N",-11.57097350057977],["Cc2csc(",-11.571004482993509],["▁Cc1ccc(-c2nn(C",-11.571013287162335],["n2c(C(F)(F)F)n",-11.57107214623539],["c(CNC34CC5CC(CC",-11.571234728089218],["n1cnnc1-",-11.57140549974996],["(P(=O)(O)O)o2)",-11.571445703944462],["(NC(=N)N)cc2)cc1",-11.571568903397852],["cc(Br)c3)c2c1",-11.571672730437353],["n1c(C)nnc1SC",-11.571716099270722],["▁COc1cccc(NC(=S)",-11.571787387141878],["C(=O)c2cc(C)n(",-11.571853158702758],["CCN2CCCCC2)c1",-11.571899274045322],["NC2=NC(=O)/C(=C/",-11.571920214199988],["▁CCOC(=O)c1oc2c",-11.571984344944362],["C[C@H]43)",-11.572029026144588],["c2cccc3c2OCO3)",-11.572054889864692],["(C(C)C)C(C)C",-11.572054925454008],["▁CCC(C)[C@H](N)",-11.572149072786786],["c(O)c3c(=O)",-11.572242132321511],["P(C)(=O)O",-11.572434872002033],["▁O=C(NO)[C@H]1C",-11.572729650326854],["2CCC(C(=O)O)CC2)",-11.572740452487068],["O[C@H]21",-11.572755090139736],["▁O.O=",-11.572809451917816],["N1C(=O)OC(C)(C)C",-11.573127726413173],["@H]1O[C@H](CO)",-11.573201827000812],["-c1ccc(F)cc1F",-11.573489819733089],["▁CN(CCOc1ccc(",-11.573533108479785],["c1[nH]c(",-11.573548944716984],["▁CN1CCN(C(=S)",-11.57354965246327],["(-c4cnc",-11.573624660619853],["[C@@]1",-11.573660855972946],["c2ccc(O)c(F)c2)",-11.573891929326052],["CC2)cc1F",-11.573905680830356],["c3ccc(OC(C)C)cc3",-11.57400498085032],["c2ccc(Cl)cn2)c1",-11.57407195804618],["▁CCCn1c(=O)n(C",-11.574157063491883],["c1cnc(C(=O)CC",-11.57418743786208],["cnc1S",-11.574254965086608],["c1ccc(CC2CCC",-11.574258443125512],["n2ncnc12",-11.574265412115423],["c1ccc2c(c1)OC(",-11.574271472407055],["nc(N)c2C#N)",-11.574309506899542],["c3ccccc3[nH]c12",-11.574386990514585],["▁O=C(CCN1CCOCC1)",-11.574510655641811],["▁c1cnc(NC",-11.574618109988258],["c2ccc(Oc3ccc",-11.57469625937402],["C(=O)NN)cc1",-11.574772004347206],["n1c(=O)c2[nH]c(-",-11.574825361522873],["c4ccc(F)cc34)",-11.574882048934],["2c(c1)C(C)(C)CO2",-11.574900104232404],["▁c1ccc(CCCN",-11.574952116052224],["CSc2nnnn2C)",-11.574985961021817],["=CCC/C(C)=C/CO",-11.575003030648896],["S/C1=C\\c1ccc(OCC",-11.57500388248082],["▁CCC(O)(",-11.575051580253524],["no[n+]2[O-])",-11.575069079794226],["c1noc(C(C)N2CCN(",-11.575101257533747],["(CC(C)=O)",-11.57522956188096],["3cc4c(cc23)OCO4)",-11.575286255761975],["O)nc2ccccc21",-11.57529909448372],["▁CCNc1nc(C)",-11.575345765206688],["cc(C2CCCN2C",-11.575441687604012],["N2C(C)CCCC2C)",-11.575450771253593],["c2ccc3nc(NC(=O)",-11.57546701123237],["▁Nc1ccnc(",-11.57554603323048],["▁CN1CC[C@@]2(",-11.57555806140469],["c4cccc(C)c4",-11.57556368063817],["(-c2ccco2)",-11.57580501193277],["▁Cc1ccc(N2CCCC(N",-11.575813816245503],["NC3=NCCC",-11.57592856820648],["c(N3C(=O)CCC3=O)",-11.57593607311521],["[C@H]1CC[C@H](CN",-11.57595755172103],["CC(=O)[O-].C",-11.576035704369437],["N2CCNCC2",-11.57618198791158],["C(=S)N1CCOCC1)",-11.576187513237002],["c4nc(N)",-11.576195077350771],["▁O=C(c1ccsc1)N1C",-11.576300990387468],["C(=N/",-11.576340108186027],["▁Cc1ncsc1CC",-11.576470109966692],["c2nc(/C=C/",-11.576485132016307],["▁CCCn1c(N)c(",-11.576662824854308],["▁COc1ncc",-11.576714351624169],["c(NC(=O)CCl)",-11.57672711608796],["c(CCl)n",-11.576809331096532],["c3cc(N)c",-11.576812498122312],["(Nc2c(C(N)=O)cn",-11.576927455339622],["c1ccco1)c1ccccc1",-11.57695607828326],[")=NCC2",-11.577016696215574],["c1cc(-n2nc",-11.577251863705504],["C(=O)N1C[C@@H]",-11.577309461652415],["(N4CCNCC4)",-11.577388646004952],["OC(C)(C)C)CC1",-11.577441544667169],["c(N(CCO)CCO)",-11.577451895219353],["N(CC(=O)O)C(=O)",-11.577477872497653],["c2cccc(Cl)c2)s1",-11.577705928914948],["(CCCN(C)C)",-11.577730199239191],["cc(OC(F)(F)F)c3)",-11.577843027106688],["[C@H]2O)nn1",-11.577859074265575],["O/N=C(/",-11.577891035567797],["c1nc2cc(F)ccc2",-11.577958584824202],["C(=O)N(C)O)",-11.578006472614597],["C[C@H]2CSC(N)=N",-11.578007770925598],["1CCCCCCC1)",-11.57820698450215],["▁CN(C)C(CN",-11.578522663585044],["c1nc2n(n1)C(",-11.578549281078208],[")Nc1nnc(",-11.578554263882111],["c(-c4cncs4)cc23)",-11.578645525586358],["[C@@H]3C[C@H]4",-11.578653340045433],["▁CC(C)(S",-11.57870744058939],["NC(=O)CSc1nnc(",-11.578824095686612],["c1ncnc2c1ncn2[C@",-11.578868113957922],["C=NN=",-11.578933090937374],["cc2)c(O)c1/C=N/",-11.578975504667143],["▁Nc1nc2ccccc2n1",-11.57903147525369],["c2cscc21",-11.579038761369333],["3c(=O)n(C",-11.579054243790836],["c2ccc(I)cc2",-11.579193404654731],["c1cc(CN2CCCC2)c",-11.579384567784794],["▁Br.O=",-11.579394203602623],["N2CCC3(CCC",-11.579424565068924],["ccc5c4",-11.579425134965652],["CN(CC1CC1)",-11.579629638515906],["no[n+]2[O-]",-11.579633899811618],["▁Nc1ccccc1C(=O)",-11.579691484447403],["[C@]5(C)",-11.579720987815342],["▁Cc1cccc(-c2",-11.579726990668842],["c1ccc2cc(-c3n",-11.57976117016673],["▁O=C(Nc1n[nH]c2n",-11.57983262246892],["▁Cc1oc(-c2ccccc2",-11.580159271899962],["c4ccc(F)cc4)cc3)",-11.58025575362046],["CCN(C)C(C2)",-11.580519238179203],["[C@]21O",-11.580569015483231],["▁Oc1ccc(C2C",-11.580610986679256],["3CCOCC3)n2)cc1",-11.580678527526054],["cc(C(=N)NC(C)C)c",-11.580716259196864],["CC(C)(C)S",-11.580739627077596],["c1nc2ccccc2nc1C",-11.580971317658346],["noc1",-11.580978351864037],["▁O=C1OC[C@H](C",-11.581015055851566],["C2=C(C(=O)CCC2)",-11.581070794334066],["C=NNC(=O)",-11.581124055091708],["C(=O)/C(=C/c1cc",-11.581144749216072],["N=C(N)N=C(N)N1OC",-11.581183239140731],["c2c(C)[n+]([O-])",-11.581195144213371],["c3c(c2)COC3=O)",-11.581201331660344],["CCOCP(=O)(O)O",-11.581258207842565],["c3nccs3)CC2)",-11.581301829636873],["C3=O)CC2)cc1",-11.581508995327704],["/C=C/C=N/",-11.581551487336446],["c2ccccc2C2(CCN(C",-11.581603647450786],["C(=O)C=C4",-11.581621824427351],["c3ccccc3)CC1)C2",-11.581665750629394],["▁CCCc1c(C(=O)N",-11.58169437518565],[")OC(C)C",-11.58174748320965],["sc2c(=O)n1C",-11.581813561263363],["1CCc2cccc(O)c2C1",-11.58190007230364],["c(NC3CCNCC3)",-11.581919282542485],["SCCCS1",-11.581925049748648],["(CC(=O)N2CCCC2)",-11.581981333178522],["N3C(=O)CCC3=O)",-11.582020737488328],["c2oc3ccccc3c2c1",-11.582021468565229],["c3)cncc21",-11.582056436657098],[")N/N=C/c1ccncc1",-11.58214799060518],["c4ccc(N)cc4)",-11.582209073340334],["▁COc1ccc(/C=C(\\",-11.58243286414618],["C(/C=C/c1ccccc1)",-11.58243777109496],["c2ncc(C#C",-11.582675446194528],["cc4c(cc32)OCO4)",-11.582677742334852],["(NC(=O)CC(C)C)",-11.582764577373675],["COc2ccc(C(=O)",-11.58280789186787],["Cc1c[nH]c2ccc(OC",-11.582835708313093],["CC[C@]4",-11.58284945991668],["▁O/N=C/c1cc",-11.582899808103337],["c(-c2cn[nH]c2)",-11.58306325873976],["▁CCCSc1nc",-11.583075905333628],["▁Clc1cccc(N2CCN(",-11.583212868948284],["▁Nc1n[nH]c2c",-11.583217923905115],["c1ncc(CO)",-11.58322549816494],["c2nccs2)CC1",-11.583292110728692],["(-c2ccc(F)cc2)c",-11.583367517694857],["n2CCN1C",-11.583368156029731],["c2ccc3sccc3c2)",-11.5834374835467],["▁CNc1ccc(/C=C/",-11.583522909977049],["c3ccc(N(C)C)cc3",-11.583523184840049],["▁COc1cc2c(cc1-",-11.583562712261385],["c2ccccc2)[C@H]1O",-11.583635663303248],["c2ccc(Cl)s2)CC1",-11.58366151962551],["s1)c1ccc(Cl)cc1",-11.583676987184816],["nc(N2C(=O)CSC2",-11.583784258919568],["c(O)c(O)c3)oc2c1",-11.58379602436628],["c2)c2ccccc12",-11.583844969046488],["c1nc2n(n1)CC(NC",-11.58388503718945],[")ss1",-11.583965645429055],["cc(C(F)(F)F)c3",-11.583994486119122],["n(C(F)F)",-11.584045953299004],["3cccc(C)c3nc2",-11.58407516098838],["CCC(=O)NC1=O",-11.58408134000365],["n1c(-c2ccccn2)n",-11.584124211088977],["c(NC(=O)NCCCl)c1",-11.584142735407742],["c3ccc4c(c3)C",-11.584232104051992],["C1=O)N2",-11.584260253154566],["Cn1cnc(-c2cc",-11.5843307175299],["n5c",-11.58433918965022],["Cc2ccccc2)CCN(C",-11.584409426578748],["c1)N2",-11.58446020933951],["c2cc(Cl)sc2Cl)",-11.584695257583135],["(-c3cn[nH]c3)",-11.584727522642982],["(-c2cccs2)c",-11.584810455560277],["▁N[C@H]1C[C@@H](",-11.584821646166365],["c4ncccc34)",-11.584879983586658],["c(C)n2)",-11.58495359584202],["/C(=C/CO)C",-11.5849643239366],["CC(c1ccccc1)C2",-11.585043314343473],["COCP(=O)(O)O)",-11.585106485999614],["nc(CC(C)C)",-11.585169252070632],["▁N=C(N)c1ccc(OC",-11.58518323890684],["N(c2ccc(C)cc2)",-11.585255263583647],["c2ccc(-c3",-11.585338668764074],["▁Cc1cc(N)nc(CC",-11.585396945955845],["c3)ccc2",-11.585417235064236],["N(C1CCCC1)",-11.585429927576747],["[C@@H]2CCCCN2",-11.58551180128526],["▁Cc1c(N2C",-11.585554635174375],["N5CCCC5)",-11.585618830066306],["NC(=O)c2noc3c2CC",-11.585737117833805],["3c(c2)OCO3)n1",-11.585762828124194],["[C@H]1CC[C@@H](N",-11.585767082129388],["/N=c2",-11.585893682777296],["=C(C#N)C(=O)N",-11.585936090854736],["▁Cc1ccc(C(=O)c2c",-11.586148997611616],["N1CC[C@@]2(CCCN(",-11.586179588393064],["c(CC#N)",-11.586218130982829],["▁CCN(CC)C(=O)CS",-11.586374113185904],["N2CCN(C(=O)c3ccc",-11.58638301852723],["▁CC(Cc1ccc(",-11.586414219949988],["▁Cc1n[nH]c(O)c1",-11.586565825103284],["c2sc(-c3ccccc3)n",-11.586723579626437],["-n1cnnn1",-11.586861480592038],["C2CCN(C)CC2)cc1",-11.5868697858086],["[C@@]4",-11.58693922782771],["Cc2ccco2)n1",-11.587026796994705],["C(=NOC",-11.587072634564027],["▁CCCCC1(",-11.587164869218602],["(C(=O)NC3CCCCC3)",-11.587193358923573],["▁[O-][n+]1nc(N",-11.587206048381342],["C2=C(c3ccc",-11.587291944539462],["3CCN(CC4CC4)C(C",-11.587292491774836],["(-n4cccc4)cc3)",-11.587293475403577],["-c2ccc(F)cc2)nn1",-11.587294984919083],["▁O=C(/C=C(O)",-11.5872957708237],["C2=CSC3=NCCN23)c",-11.587358864315563],["C(=S)N1CCCCC1",-11.587420722615072],["▁S=c1[nH]nc(",-11.58742087797583],["c3nsc4ccccc34)",-11.587477112734422],["Cn1nc(-c2ccc",-11.58749874516679],["c(Cl)c(O)c1",-11.587514635203895],["C2=C(O)c3ccccc3",-11.587571065558793],["C(=O)Nc1cnn(C",-11.587576293907246],["[C@H]1CCC[C@H]1",-11.58759256459173],["c2cc(C)on2)c1",-11.587667988920565],["▁CC1(c2n",-11.587802964275625],["-c2cccc(Cl)c2)o1",-11.587809949260372],["▁Cc1ccc2[nH]c3",-11.587867019865776],["c(=S)oc2ccccc21",-11.58786853522072],["c3cccc4c3OCO4)",-11.587906890215924],["▁C[C@H]1CC[C@H](",-11.588036262773407],["C(=O)C(C(C)C)=C",-11.588051134413424],["▁N[C@H]1CC[C@H](",-11.588422376731808],["(Nc2ccc(C#N)cc2)",-11.588427361529444],["[nH]c(=N)",-11.588460056108708],["-c2cc(C(F)(F)F)n",-11.588500250050974],["nc2ccccn2c1=O",-11.588584964071938],["OC(=O)c1ncn2c1C",-11.588608870554465],["C3CC3)cc21",-11.58869370981618],["nc2S)cc1",-11.588736949048725],["c2ccc(F)cc2C1",-11.588815296338636],["1)CC(=O)N3CCC2",-11.588892032831454],["n2ncnc2",-11.588938335642268],["N2CCCCC2=O)",-11.5889406002828],["▁Cc1cccnc1N",-11.58899864646941],["▁Cc1ncc2c(n1)",-11.589091989459972],["Oc1cc(/C=C(\\C#N)",-11.589119111703496],["c(O)cc(O)c2c1=O",-11.589133174515066],["c2nnc(S)o2)",-11.58923714251168],["▁CC1CCN(C(=O)CS",-11.589242975054718],["C3CC4",-11.589264607372728],["c3ccc(F)cc3)cc21",-11.589359187521636],["▁OC1CCC",-11.58957569226278],["OCCCN2CCCCC2)cc1",-11.589613032133087],["NC2=NCCN2)cc1",-11.589651996390838],["-n2cccn2)",-11.589655200791524],["c2nnc(C)s2)cc1",-11.589687908414362],["▁CCCC(=O)Nc1c",-11.589695233254574],["▁CCOCC1CN(C(=O)",-11.589702306668489],["CS(=O)(=O)[O-]",-11.589779348694266],["[C@@]4(O)C",-11.589803621082174],[")c1cc(Br)ccc1O",-11.589818115454488],["Oc2ccc3nc(C(=O)N",-11.5899505622005],["c2ncc(C(=O)N",-11.589970974711711],["▁O=C(N1CCCC1)",-11.590073914742987],["CCCCCn1ccnc1",-11.590182856759268],["c2c(C)nc3ncnn3c2",-11.590198877325363],["▁Cc1nc(C(F)(F)F)",-11.590262615538627],["2(c3ccccc3)",-11.590322918906232],["c3nc(N)sc3",-11.59033116841166],["▁C[C@H](Nc1cc",-11.590442355471898],["n([C@H]2C[C@H](",-11.59046513570566],["N1CCN(CCNC(=O)",-11.590523511259036],["CCC3(C)C",-11.590634638052649],["ccc5[nH]4)",-11.590681113044385],["C2CC3CCC2C3)cc1",-11.59089181830456],["c(C2CC2)n1",-11.590937500569826],["c2ccnn2C1",-11.591050414671097],["=[N+]",-11.591060365323044],["C[C@H]3O2)n1",-11.591088822250091],[")N(CC)CC",-11.591141045674949],["c(F)cc21",-11.591189715657674],["n2nncc2C1",-11.59147636815331],["▁c1cc(CN2CC",-11.591607154187944],["(NC(C)CCCN)c2nc",-11.591652168087494],["▁CCC(C)(C)N",-11.59168877092952],["C3CCCO3)CC2)cc1",-11.59169016634388],["c1ccc(O)cc1)c1c",-11.591700055179135],["C2(CCCCCC2)",-11.591742367522524],["▁Clc1ccc(CN2CC",-11.591816822502926],["▁S=C(NCc1ccco1)N",-11.591921498043693],["cccc1-",-11.59198299295422],["N(CCOC)C(=O)",-11.591992173788848],["ncnc2c(OC)c1OC",-11.592030955019286],["▁Fc1ccc(Nc2n",-11.592057738634288],[")ccc(C(C)=O)c1O",-11.592125050726583],["c2nc(-c3ccccc3O)",-11.59217651889681],["C(=O)N2CCN(CC",-11.592341013501452],["c(O)c(=O)c2c1",-11.592354543535343],["N1CNc2c(c(=O)",-11.592369557891669],["▁COP(=O)(OC)C(O",-11.59242429816438],["▁COc1ccc(/C=C",-11.59244885687681],["oc(-c2ccco2)nc1",-11.59251603800486],["(NC(=O)C2CCCO2)",-11.592520844530164],["▁CSc1ccc(C2",-11.592658574592532],["C3CCN(C(=O)",-11.592746492307676],[")(C1)CC(",-11.592890061962551],["▁CO[C@]12",-11.592928848423554],["S[C@@H](CO)",-11.59300054875612],["c2nnc(C)o2)c1",-11.593058244832909],["▁C[C@H]1CN(C(=O)",-11.593064022917613],["cccc3[n+]2C)cc1",-11.593098278612612],["c1ccc(-c3ccccc3)",-11.593124544673405],["c(C)c3c2c1",-11.593176228540958],["n3c(nc2c1)CCC3",-11.59325950926433],["C(c2ccccc2O)C1",-11.593633287856584],["▁NC(=O)c1s",-11.593759291318207],["▁COc1cc2s",-11.59381682448543],["▁COCC(=O)N1CCC(",-11.593852013093263],["cc3OC)",-11.593881719229952],["c1nc2nonc2nc1",-11.593902832910567],["(CO)CO)c2n1",-11.59392712487119],["c2ccccc2)OC1=O",-11.594016478225504],["c2nc(C)cs2)cc1",-11.594309954826516],["C3CCCCCCC3)CC2)",-11.5943183560253],["(F)cccc1F)C(=O)",-11.59437302448565],["c2nnc3c4ccccc4c",-11.594420449478235],["(/C=N/O)cc2)cc1",-11.594486635005168],["sc1NC(=O)",-11.59449048765028],["▁CCN(CC)Cc1ccc(",-11.594570382120716],["▁Fc1cccc(F)c1-",-11.594585595370155],["c2nc(-c3cccnc3)c",-11.594759000317929],["c2nccc3ccccc23)",-11.594799640541746],["▁COc1cccc(CN2C",-11.5949218047409],["▁CCN(C)CC",-11.595000642679777],["/C(Cl)=C(\\",-11.59510606259023],["(-c2ccccc2Cl)n",-11.595134457245624],["NCCOCCO",-11.595155983704192],["c(CN4CCCC4)",-11.59517838445626],["C(=O)c2cc3c(s2)",-11.595243535413914],["[n+](-c3ccccc3)",-11.595249905883184],["c(C(C)C)nn1C",-11.595264573464837],["CC1(O)CC",-11.59529542964562],["▁O=C(O)CC[C@H](N",-11.595427881135471],["N2C(=O)CC(C",-11.59553247337293],["▁O=c1cc(OC",-11.595566109154916],["▁CCc1csc(",-11.59563088321475],["▁CNC1(",-11.595641451606928],["C[C@@H]1N=C(N)N",-11.59572142030724],["Cc3ccccc3N2",-11.595728225564043],["(C(=O)O)s",-11.595786951161646],["▁O=C(/C=C/c1c",-11.595840772561234],["C[C@H]1OC(n2",-11.595860150381668],["cc2)CC2CCC1N2C",-11.5959105656098],["▁O=C1CC2(CCN(",-11.59595422589904],["[C@@H](CC[C@@H]3",-11.595959431214132],["c3c2)o1",-11.596135830784426],["c(N)n(Cc2ccccc2",-11.596172595262267],["c4c(c3)CCCC4)",-11.596211977332985],["▁C#CC(C)(C)",-11.59634709980522],["c4c(Cl)cccc4",-11.596490235883175],["N2C[C@@H]3CNC",-11.59652481349751],["N/N=C(\\C)CC(=O)N",-11.596537193944323],["cc(C)nc2c1",-11.596554896608485],["▁Cc1[nH]c(=O)",-11.596721909792588],["nc2cc(Cl)ccc2s1",-11.596777465958445],["▁NC(CCSC",-11.59682029508949],["C(=O)O[C@@H](C)C",-11.597023456417526],["C(=O)N3)c1",-11.597086755461447],["C)OC1=O",-11.59712436557533],["c2ccc(OC)c(F)c2)",-11.597149969572463],["(NC(=N)N)",-11.597299218422718],["▁CCC(=O)Nc1c",-11.59739067293143],["N1CCn2",-11.597406319801332],["c2cnccn2)n1",-11.59742493381609],["NCc2cccnc2)c1",-11.597486078553082],["▁Cc1c(/C=N/N",-11.59751785860187],["c(Cl)c(C(=O)NC",-11.597548695442176],["O[C@@H]1C[C@@H]2",-11.597560840855866],["N(C#N)C",-11.597594372956486],["N(Cc1nccn1C)",-11.597806069644967],["▁CCc1nn(C)c(",-11.597899913813002],["c3ccc(Br)s3)",-11.59793330731851],["c1cccc(-c2ccc(C",-11.597934012015571],["c(C3CCC3)c(OC",-11.597959276023548],["(C(=O)NCc2ccco2)",-11.597972420471198],["N2C(=O)c3cccnc3",-11.597996744953106],["C[P+]",-11.598047475054113],["c2nc(N)nc(O)c2c1",-11.598074053143108],["(Nc2cccc(Cl)c2)",-11.598153563924686],["c3ccc4nc[nH]c4c3",-11.598232089643254],["CCNc2nc",-11.598340702613918],["c2nn(-c3ccc",-11.598379281795452],["▁COCc1cccc(",-11.598500384945076],["C(=C)[C@H]12",-11.598579429599134],["c(=O)n(O)c(=O)",-11.59860208594012],["N3CCCCC3)cc2",-11.598624394281414],["[C@@]12C[C@@H]",-11.598655627968984],["CSC(=N)N)",-11.598709681741166],["c(C2=NN(C(=O)",-11.598711446875178],["c4ccc(O)cc42)",-11.598809688487076],["▁COc1cc(C2N",-11.598857935717776],["c(N2CC(Oc3ccc(",-11.598941042861846],["▁CCNc1ncc2nc",-11.598972800990158],["c3cc(C(C)(C)C)",-11.598979349002969],["c2c3c1O[C@H]1",-11.599058908331347],["n(-c2ccc(OC)cc2)",-11.59906772329435],["ccc23)cn1",-11.599078817001162],["c(=O)oc1C",-11.599084048375094],["c2nc(CCc3ccccc3)",-11.599093045058634],["N2CCOCC2)cn1",-11.599123826600213],["[C@H]([C@H](C)O)",-11.5991440238212],[")N1CCC1",-11.599150032298676],["c4ccc(F)cc4)n",-11.599194952244613],["▁Cc1noc(-c2cc",-11.59943026908229],[")Nc1ccc(O)cc1",-11.599478462947744],["C3CN(",-11.599494946589992],["c3cc(O)ccc32)cc1",-11.599511560762346],["c2C)s1",-11.5995164949056],["C(=O)c1ccccc1CO2",-11.599551623857936],["CN(c2nc3c(cc2",-11.599558201016617],["▁CCn1c(=O)cc(",-11.599659300107648],["c2cc(-n3c",-11.599791843063496],["C[C@H]2C1=O",-11.599912038924955],["▁COC[C@@H]",-11.599938781583855],["cc2)=NO1",-11.599945548553022],["▁O=C(N[C@H]1CCC",-11.599951886985604],["C(C)C)n2)c1",-11.60050688022197],["Nc2ncnn2",-11.600544628243687],["c(NC(C)=O)n",-11.60056426261545],["▁COc1ncc(-c2c",-11.600638321098712],["c(C)n2-",-11.600757716532588],["▁[O-][n+]1nc2c",-11.600771748385586],["[C@H]2CC[C@@H]3",-11.600781697680269],["CN(CCc3ccccc3)",-11.601059768231254],["S(=O)(=O)NCc2ccc",-11.601208043993772],["cc2)cc1)n1ccnc1",-11.60127764518726],["▁c1ccc([C@H]2",-11.601331477635838],["NC(=O)C[C@H](N)C",-11.60137787015251],["▁CCC(=O)N(C",-11.601756823514846],["[C@H]3Cc4ccc(O)c",-11.601806793842597],["▁CSc1ncnc2c1ncn2",-11.601856786989847],["c1cc(Br)c(Br)",-11.601864985107431],["c1cncc(C2=C",-11.601916403413842],["/C(O)=C",-11.601937619677782],["▁CCCC(=O)Nc1cc",-11.60197814732276],["▁c1ccc(-c2",-11.602007979407368],["C(=S)NCc1ccccc1",-11.602012276028155],["N/N=C(\\C",-11.602129912065704],["n(CCCO)",-11.60223096992813],["n(-c2ccc(C(=O)O)",-11.602313798538423],["nnc3s2)c1",-11.602342988189369],["n(C)n3)",-11.602481496767046],["c1nc2nc(C)cc(N",-11.602655015818552],["▁CCc1nc2ccc(",-11.602733833608472],["O)[C@@H](O)[C@",-11.602749133203163],["O[C@@H]1C=CC(=O)",-11.602882450130352],[")CC[C@@H]1[C@]2",-11.602950516452308],["c(-n2cccn2)n",-11.60298873067768],["▁O=C1CCC(N2C(=O)",-11.603098710061564],["(C=O)c(O)",-11.603249444406636],["▁OCC1OC(",-11.603272623073805],["▁CCc1ccc(NC(=O)N",-11.60328378598177],["▁Cc1[nH]c2ccc(",-11.603629578400469],["O[C@@H](CO)[C@H]",-11.603632634993335],["OCCOc1ccccc1",-11.603850917872048],["c1ncc(Cl)cc1Cl",-11.603853481409413],["CN(c1cc",-11.6038573375624],["c1c(N)ncnc1",-11.603877329820223],["c2cc(Nc3ncc",-11.603880667852891],["c1sn",-11.603934600796542],["[C@@H](CCCC",-11.603956920670695],["▁Cc1ccc(-c2nnn(C",-11.604062106079168],["N(C(C)C)C(C)C",-11.604148674884426],["▁C[S+](C",-11.604200017524397],["Nc1nncc2ccccc12",-11.604304373286256],["[C@H](CO)NCc1nc(",-11.604348976143395],["c1nc(O)c2nnn(C",-11.60435749545632],["n3cc(Cl)c",-11.604564894108622],["n(C4CC4)c3c2",-11.604645912820354],["[C@H]3[C@@H]21",-11.6047175150911],["▁Cc1ccc(CN2CCC(",-11.604878776090136],["▁CNC(=S)N/N=C/",-11.60490657845672],["C([2H])([2H])",-11.605032258429263],["Nc1ncc(Cl)cc1Cl",-11.60512631377688],["▁OC(c1ccc",-11.60513629364762],["cn3)CC2)",-11.605396582059123],["Cn2nc(-c3ccccc3)",-11.605424907103718],["▁O=C(NC1CCCCC1)O",-11.605490994716632],["c2ccc3oc(=O)",-11.605571114317891],["C1=CC(C)(C)Oc2cc",-11.605631380359108],["C[C@@]2(C)C",-11.605631457012532],["O[C@@H](n2cn",-11.605639203762887],["/C1=C1/Nc2ccccc2",-11.605651288465088],["-n1cccn1",-11.605673828274996],["▁CC(C)(N)C",-11.605821910289457],["C3)o1",-11.605904313472395],["(C1=NCCN1)",-11.60596636807836],["Cn1sc2ccccc2c1=O",-11.605976548949265],["c(C(F)(F)F)c4)",-11.605986433430438],["▁COc1cccc(-n2n",-11.605988305329038],["c3cc(Cl)ccc3n2",-11.606079949585526],["n(C)c3c2)",-11.606099053660037],["3c4c(cccc24)",-11.606407194784923],["C1SC(N",-11.606448303005438],["▁CCCCN(CC)C(=O)",-11.606455829791194],["c1cccc2sc(",-11.606701634215632],["▁COc1ccc2nc(O)c(",-11.606770235348044],["C2CCCCC2)cc1OC",-11.606955828563258],["C(F)(F)F)ccc2n1C",-11.60698381276789],["[C@@H](O)[C@",-11.606984897649015],["▁CN1OC",-11.607005524711631],["C1=CC2=C",-11.607041606352986],["c3c[nH]cn3)CC2)",-11.60708430497029],["c2ccccc2)on1",-11.607153494289154],["c(N(C)C)n1",-11.60720981526897],["N1CC2(CCNCC2)",-11.607220274856],["COC(CO)CO",-11.607227149801233],["▁CCN1C(=O)/C(=C\\",-11.607362359683774],["N1CC=CCC1",-11.607410312620903],["4c[nH]c5ccccc45)",-11.60745968742278],["C(=O)N3CCN(C(=O)",-11.60761909048621],["c(OCCN(C)C)c",-11.607686036219672],["c2oc3ccc(Cl)cc3",-11.607754674305037],["cc3)ccc12",-11.607757949615436],["c3ccncc3)cc2)cc1",-11.60789676223813],["▁CC1=C(c2ccccc2)",-11.60804008556691],["c2cc2c(=O)c",-11.608225082341924],["[C@H](CO)Nc1nc(N",-11.608228726040744],["▁COc1ccncc1",-11.608307489311564],["C12CC3C",-11.60834295762203],["c3c4cccnc4",-11.608354443313798],["-c2cc(F)cc(F)c2)",-11.608429856322232],["▁O=C(c1ccncc1)N1",-11.608430432386749],["Cc1nncn1-",-11.608433372247154],["c1c(NO)cc(-c2ccc",-11.608507802457463],["Oc1ccc(Oc2nc",-11.608683122932351],["cs2)cc1OC",-11.608756824989394],["S(=O)(=O)c2cn(C)",-11.608758252883115],["[O-].[",-11.60877750948523],["c2cc(CO)c",-11.60923830415452],["▁CCc1cc(C(=O)",-11.609296195855508],["c2cccc(Cl)c2)cn1",-11.60931315428186],["c4c(C)cccc4",-11.609377283513592],["[Se",-11.609402667091754],["c2[nH]c(SCC(=O)N",-11.609417185851054],["n1c(Cc2ccccc2)n",-11.60944335043168],["▁O=C1CCN(C",-11.609456899270088],["(C(=O)O)cn3",-11.609480622172754],["N2CCN(CCC",-11.609535421088404],["N(CC(=O)O)C1=O",-11.609582478877975],["▁Cc1ccc2oc(=O)c(",-11.60958613150548],["▁C=CCOc1cccc(",-11.609630845845007],["(CC=C(C)C)c(O)",-11.60966206528089],["CC(C)(C)N1O",-11.60970286230053],["c(NCCN)n",-11.609747733246152],["NC(=O)C2CCCN(",-11.60974996977758],["c(Cl)ccc12",-11.609833731060196],["CC[C@]1(C)O",-11.609902195336083],["c2nccnc2OC2CN(c3",-11.609949891682271],["COC(CO)CO)",-11.610046273361844],["[C@@H]1CSCN1",-11.610069777555353],["c1c(C(N)=O)n",-11.61010802503136],["C[C@@]2(O1)",-11.610109626901266],["c3sc(C",-11.610116694414325],["C(=O)NNc1ccccc1",-11.610161965977822],["(-c4ccccc4)n",-11.610223763767936],["N1CC2CC(C1)",-11.610229571706082],["c3=O)cc1",-11.610362374038278],["CCCCCS)",-11.610387714564007],["N2CCN(CC)CC2)",-11.61044498942064],["C1CCCc2c1[nH]c1c",-11.610446177527908],["CN=[N+]=[N-]",-11.610463214672937],["N3)cn1",-11.610490145188542],["C1C2C=CC3(CN(",-11.610543605601071],["N1C(N)=NC(N)=NC1",-11.610545208732916],["=C[C@H]3[C@H]1C5",-11.610546374316298],["sc3nc4c(cc3c2N)",-11.610547788507573],["c1c(C)nc(O)nc1O",-11.610548779353028],["c3csnn3)",-11.610555344253711],["OP(N)(=O)",-11.61056061392193],["[C@@](C)(N)CO)",-11.610577361246792],["2CC3CC(C)(C1)CC(",-11.610605447073288],["C(F)(F)Cl)",-11.610620845985924],["cc(Cl)nc3)CCN2",-11.610745831868003],["C1Sc2ccccc2NC1=O",-11.610781021734825],["▁CC1C2C",-11.610797801006845],["C1Cc2ccccc2N1",-11.610884998855468],["▁Cl.FC(F)(F)",-11.610904850928652],["c1cc2c(cc1Br)",-11.610942475593298],["▁C=C[C@H]1CN2CC",-11.61096391423224],["▁Cc1nsc(",-11.610964444647411],["c1ncn2c",-11.611010480056498],["n(C)c2=O)c1",-11.611015123045425],["CN(C(=O)N(C)C)C",-11.61104645039722],["c4ncc[nH]4)",-11.61109397777101],["NC(=O)CO3)",-11.611108582721634],["c1nn(CCO)c(CC)c1",-11.611261045373356],["▁Fc1ccc2[nH]cc(C",-11.611314917019705],["C(=O)N(O)C",-11.611362984155855],["nc(O)c3",-11.61156057204813],["c4cc(F)ccc43)",-11.611586312322448],["CCNC(=O)c1cccc2c",-11.611693274268577],["▁CCOP1(=O)",-11.611764254520136],["[nH]c5c4)",-11.611768243867768],["▁CCc1nc(CN2CCCN(",-11.611797888190148],["nc23)cn1",-11.61190340867322],["C2=NCCCN12",-11.611999255399583],["Nc1nncc(-c2ccc",-11.612056101096934],["nnc3n2CCN(C(=O)",-11.61206081223391],["c(-c2ccc3ncnc(NC",-11.612108222624723],["▁CN(C)C1=N",-11.61222257715118],["c(/C=N/O)c1",-11.612287645730085],["c1[nH]nc(",-11.612333635265506],["C3C=CC",-11.612342319688606],["c2nnc3n2CCC3)",-11.612367523135047],["▁O=C1CS/C(=N/N=C",-11.61240063598715],["[C@@H]1CSC(",-11.61252598820252],["cc4[nH]3)cc2)",-11.612606571686],["▁Cn1cc[n+](C",-11.612610213608066],["▁O=C1OC2(CCN(",-11.612800478362267],["▁COCCOc1ccc(",-11.612833386800768],["▁O=C(O)CSc1nnc(",-11.61284316543824],["c3nn(C)cc3",-11.613012615031844],["c(=O)n4C)",-11.61301411166946],["N2CCC(C(=O)NC",-11.613106959275877],["c3nccnc23)",-11.61312747460292],["S3)cc1",-11.613276321067383],["c42)",-11.613323372013028],["C(=O)CCc1nnc(CC",-11.613497254493195],["c3cc(C)[nH]n3)",-11.613644225779955],["[C@H](C)CCCC(C)C",-11.61366144371445],["c3ccccc23)ccc1O",-11.613691573841663],["▁Cn1ncc2c1",-11.61375264390372],["(CC(=O)O)CC(=O)O",-11.613840349997428],["cc32)N=C1",-11.613846506156204],["▁Cc1cc(-c2",-11.6139493935433],["nc3ccccc3c2",-11.613996603252811],["c(CO)c12",-11.613998850923863],["c3ccccc3)CC2)o1",-11.614026941698553],["N1CCCCC1=O",-11.61406413507435],["/C=C\\C=C/",-11.61407924162629],["c2ccccc2)[C@@H]",-11.614123281065256],["N(Cc2ccccc2)C1",-11.614140975374404],["c2)c[nH]1",-11.61419538074135],["oc(=O)c2cc1OC",-11.614372662744032],["c2scc(-c3ccccc3)",-11.614416081172967],["▁Cc1nc2sccn2c1",-11.614456238324912],["cc(Cl)cc21",-11.614518353598214],["▁CC1(C)CC2=N",-11.614527322036189],["nc(-c2ccc3[nH]c",-11.614617208826202],["C[C@H]2[C@@H](CC",-11.614617601216311],["▁CC1(C)CCCN(CCC",-11.614626087988636],["C23CCN(C)C(C",-11.614708702418277],["▁Oc1c(Br)cc(",-11.614718107545388],["[C@H](CCO)",-11.61473192328862],[")[n+]2[O-]",-11.614806239382451],["3)C2)o1",-11.614841566036912],["C1(C2=NCCN2)C",-11.614877913238594],["c1cccc(Nc2n",-11.614994673090631],["c(-c2ccccc2)no1)",-11.615036140464197],["Cn2cccn2)cc1",-11.61505308435254],["#Cc3ccccc3)sc2C1",-11.615054429470614],["c2C(N)=NS1(=O)=O",-11.61506994638554],["(-c4ccc(F)cc4)n",-11.615072700972036],["c(/C(N)=N/O)c",-11.61511966710308],["C1(CCN(C",-11.615188513731074],["▁Cc1cc(/C=C2\\",-11.61518987493752],["C#CC(C)(C)",-11.615296105207984],["▁O=C(O)CCCc1ccc(",-11.615324420487006],["nn1-c1ccccc1Cl",-11.615374812159978],["▁CCCN(CC(=O)N",-11.615654642216882],["c3ccc(CO)cc3)",-11.615670243110507],["c3c4ccccc4nc2-3)",-11.615678646771531],["c2ccc(=O)n(C)n2)",-11.615705889389044],["C(=O)O)C2=O)cc1",-11.615726500731082],["▁CCN(c1ccc(",-11.61573797921204],["▁Cc1ccc(/N=N/",-11.615752148496815],["2ncc(C#N)c(N",-11.615849392138374],["Cc3ccccc3)oc2c1",-11.615966751858858],["(-c4ccc(C)cc4)",-11.616084011770877],["▁CCOCCCN",-11.616095410107873],["▁CCCCCCCCC(=O)NC",-11.616119223040185],["3c4c(cccc24)CC3)",-11.616191266285554],["c2nn[nH]n2)c1O",-11.6162379052137],["c1nc(C2CC2)n",-11.616283466290062],["c(C)c2C)",-11.616354756206327],["c(O)cc3c21",-11.616414468270184],["n2nnnc2N",-11.616464016267107],["c3ccc(Oc4ccccc4)",-11.616486267285218],["C3COC",-11.616553529992926],["c1nc(-c2cccnc2)n",-11.616563915086052],["/C(=C/c2c[nH]",-11.61666804951429],["c(-c2nnn[nH]2)c",-11.616704874155683],["CCN1C(=O)/C(=C/N",-11.616722826810427],["c2nc(Cl)nc(N",-11.616811089508875],["c(OC)c2OC)",-11.616838742582324],["c2c1c(=O)oc1cccc",-11.616872414585266],["▁CN(C)CC#C",-11.616949151386342],["c2nccc(C)n2)",-11.616996023064184],["c1nn2cccnc2c1",-11.617050904189565],["c(C)[nH]1",-11.617099419461438],["[C@@H](c3ccoc3)",-11.617146475270149],["c1cccc(-c2nnc(SC",-11.617190210793549],["C2CC(=O)N(CC",-11.617201611287452],["c5nccc",-11.617279757695435],["/C(=C/c2ccc(OC",-11.617281893319852],["[C@H]1C2CC3C",-11.617504383775833],["▁CCOc1cccc2c1",-11.617557749662048],["=O)c2cc(F)c(N3CC",-11.617624942374214],["▁C=CCNC(S)=N",-11.617664618650211],["C=C=C",-11.6177037478751],["2CCOC2=O)cc1",-11.617721691944803],["▁O=C(NCC1(O)CC",-11.617853127359236],["c1ccc(OC)c(C)c1",-11.617962033607393],["c(C)o2)",-11.618061228745836],["▁CCN(CCNC(=O)",-11.61820255757723],["▁C[C@]1(C(=O)O)C",-11.618231446843671],["CCNCCN",-11.618272559740838],["C(=O)NCCCNC(=O)",-11.618309808875916],["N(Cc2ccc(Cl)cc2)",-11.618326012947794],["C3(CC3)",-11.618416405551647],["[C@H]1CC[C@@H]2O",-11.6186018597892],["▁COc1cc(C2CC(",-11.61861413491826],["c3ccccc3[nH]2)n1",-11.618629907330206],["S(C)(=O)=O)CC3)",-11.618696862818355],["N1CCn2c(n",-11.618791037164886],["2)OCO4)cc(OC)c1O",-11.618917784878867],["c1ncnc2[nH]",-11.61903969875786],["Nc1nc(SC)n",-11.619080893598932],["CCN1CCN(c2ccc",-11.619198539225335],["c3ccc(Cl)cc32)c1",-11.61920626905964],["2)c2ccccc2n1",-11.619210969528025],["▁C[C@H]1[C@H](N",-11.619214906280002],["/C=C/c2ccco2)cc1",-11.619226027459153],["▁NC(=O)c1ncn(",-11.619258804416052],["CC1(CO)CO",-11.619333440298991],["▁CN(Cc1ccsc1)",-11.61936626840761],["▁O=C1CC[C@]2(",-11.619370217321682],["CCNCc1ccc2cc",-11.619550607253696],["[n+](C)c2ccccc21",-11.619599387729632],["▁CC(C)[C@@H](N)",-11.619641299293534],["c6c",-11.619660604514388],["C1=C(O)/C(=C/",-11.619745139009211],["▁Cc1nccn1-c1ccc(",-11.619834711595834],["▁Nn1c(C",-11.619842504595608],["nc1C(C)C",-11.619884711907828],["C1(O)c1ccccc1",-11.619901238569962],["nc2ccsc2c1=O",-11.620029252996034],["C(c2ccco2)N",-11.62003355317996],["N2C(=O)c3ccc",-11.620061414174415],["▁Clc1ccc(/C=N/",-11.620066553789922],["▁O=C1CCCC2=C1",-11.620174485179186],["n1cnnc1SCC(=O)N",-11.620195720341854],["▁COc1cccc2sc(N",-11.620242778178698],["c2scnc2C)",-11.620254984358482],["C2CCCN12",-11.620266176627318],["c(=O)c13)",-11.620421405714414],["N2CCCC2)nc1",-11.62042478262902],["3CCCCC3C)",-11.62042798658864],["▁Oc1ccccc1-c1cc",-11.620464767464403],["▁CNc1nc(-",-11.62049450170046],["Sc1nc(O)c2cn",-11.620574603226949],["▁c1cc(-c2c",-11.620615955243878],["c1nc(N2CCCC2)n",-11.620731924266371],["▁CN1CCc2cccc3c2",-11.62077067504516],["c1c(C(=O)OCC)",-11.620865463662524],["▁O=C(O)Cn1cc(",-11.620878318461504],["2CCCCCCC2)",-11.620896644385994],["[C@H](CC)C",-11.620944889379238],["c2nc(C)cc(Nc3cc",-11.620997138691422],["CN1CCc2ccccc2C1)",-11.620998951610584],["c3ncn(C)c(=O)c3c",-11.621070712272088],["(=S)N2CCOCC2)cc1",-11.621083885614102],["cc2c1-c1ccccc1C2",-11.621135150442388],["▁Sc1nc",-11.621159985160128],["c2)ncn1",-11.621164962412658],["[C@H](O)[C@H]1C",-11.621218457579076],["cc1-c1ccc(C(=O)N",-11.621219538429097],["/C(C#N)=C(\\NC",-11.621358541903628],["CCCCNc1cc",-11.621375809858604],["▁O=C1OCCC1",-11.621401180565863],["nc43)",-11.621411269065945],["(C(O)CO)",-11.621416487758934],["c1ccc3c(c1",-11.621418467262604],["s2)cc(OC)c1O",-11.621420258876045],["▁Nc1sc",-11.621444048415697],["▁Fc1ccc(Cn2c",-11.621496298012708],["c2cccc(OC)c21",-11.62153778102667],["C(=O)/C(=C/c2ccc",-11.621541106342413],["nc2[nH]c(=O)",-11.621651183085632],["Oc1cc(O)c2c(=O)c",-11.62182516253866],["N2C(C(=O)O)=C3",-11.62185109848416],["c(-c2nnc3n2N=C(",-11.62196061192665],["12)CCCC3",-11.622010270785433],["▁CCCCCCCCCCCCCCN",-11.622053073731385],["▁c1cncc(-c2cc",-11.622094664941594],["CCOC(C)(C)C1",-11.622116964383045],["NC1(C(F)(F)F)",-11.62212771844164],["c2oc(=O)c",-11.622134694513289],["C(=O)Nc3ccccc3N)",-11.622187153297176],["C5CCCC5)",-11.622310053566393],["cc(-c3ccccc3Cl)",-11.62245905118964],["CC(C)(O",-11.622571378700616],["n3ccccc3n2)cc1",-11.622650516843592],["▁Cc1c(C=O)",-11.62267014960156],["▁C/C(=N\\NC(=O)CO",-11.622680513935254],["c(-c2cccnc2)c",-11.62269837668151],["(CO)O3)c(=O)nc2",-11.622741316376707],["(C)[C@@]2(C)C",-11.62278406992649],["c2c(c1)[nH]c1c",-11.62279499344484],["4c(c3)OCCO4)C2)",-11.622985374068469],["cc2Cl)no1",-11.623047426731546],["c2cc[n+](CC",-11.62305228143876],["c3ccc(OCC)cc3)",-11.623064001502147],["c2c(O)c3c(c(O)c2",-11.623330228259778],["c1cc(C(=O)Nc2ccc",-11.62338487668134],["3ccccc3[nH]2)",-11.62340227005708],["▁CC1c2ncc(C",-11.623542036932328],["▁Cc1nn2c(",-11.623551178874605],["▁Cc1nc(-c2c",-11.6236552002564],["▁CN(C)CCN1CC",-11.62370478117408],["n(Cc3ccccc3)c2",-11.623705978074716],["c(OCC=C(C)C)",-11.623720133994516],["▁Cc1cc(C)n2n",-11.623751207457822],["c(=O)c1N",-11.624019491529657],["c1c-2",-11.624047810210062],["▁Cc1ccc(F)c(N",-11.624180751690226],["/C(=N/S(=O)(=O)",-11.624231346980569],["▁OCCNc1nc(N",-11.62424961896116],["(-c3cccc(F)c3)n",-11.624255568539889],["CC2)OO1",-11.624258637961525],["c4cccc(c43)",-11.624328384997092],["c2ccc(N)cc21",-11.624329624925778],["C3CCNC3)",-11.624366520566465],["[N+](=O)[O-])nn1",-11.624600110308744],["c(S)n2)cc1",-11.624816292854788],["[nH]c(=S)n2CC",-11.6249100839574],["c1=O)NO",-11.624913486600938],["▁CC1(c2ccc",-11.624924988331106],["(=O)[nH]c(-",-11.625119629160263],["nc2-c2cc(OC)c",-11.625135538370328],["c(-c3nn[nH]n3)",-11.625151890785766],["▁O=C1CC2(CCCC2)C",-11.625176105723297],["c1nc(-c2ccccn2)",-11.625188831197097],["sc1C(=O)N(C)C",-11.62519201957928],["[C@@]4(C)CC",-11.625264441325855],["(c3ccccc31)N",-11.625273118654778],["n2nc(SCc3ccccc3)",-11.625309783687497],["1n2C",-11.625547584077276],["c3ccccc3N2)cc1",-11.625574667812746],["[C@H]1CCCN1C(=O)",-11.625694046286748],["c3ccccc3)ccc2c1",-11.625750456277167],["C(=O)N2CCOCC2",-11.625786686645982],["C[C@]2(CC1)",-11.625813845296983],["(-c2c(F)cccc2F)",-11.625863391704431],["Oc1c(Cl)c",-11.62622126513268],["N1CCCNCC1",-11.62632107523068],["▁C/N=C1\\",-11.626327238598073],["▁O=C1c2c(",-11.626353996203916],["▁CCCOC(=O)c1ccc(",-11.626370495660437],["[C@@H]2CN[C@H](",-11.626395448789468],["[C@@H]3O[C@@]4(C",-11.626461908702328],["▁COc1ccc(-c2c(-",-11.626516463519664],["▁O=C(N[C@@H]1CCC",-11.626519583347353],["▁CC(C)OP(=O)(",-11.626749972523166],["c1ccc(CNc2cc",-11.62679607978731],["▁COP(=O)(",-11.62681595040245],["[C@H](C)[C@@H]2C",-11.62684394735198],["c3ncc(-c4ccccc4)",-11.626922153221734],["▁COC(=O)c1o",-11.62693758586109],["c(F)c12",-11.62698511808537],["c3ncn(",-11.62721187377078],["c4ccccc4)n3)",-11.627297672790846],["c(C(=O)OC)c1C",-11.62733130066906],["▁Cc1ccccc1CN1CC",-11.627376728498952],["CCNS(=O)(=O)c1cc",-11.627606601027674],["▁COc1cc2c(cc1C)",-11.627646075574075],["c(N2CCNCC2)n",-11.627688558136343],["P1(=S)OC",-11.627712639693488],["C(=O)N1Cl",-11.627759361041356],["▁CCCCc1c(O)",-11.627770624030903],["3CCCC(C)C3)",-11.627923779428576],["▁CCC(CC)c1nnc(N",-11.627950349677292],["Sc2nnc(-c3cccs3)",-11.628112928895252],["C2CCCN2C)",-11.628219663440117],["Cc1cccc2c(=O)",-11.628300240048516],["▁COc1cccc(C2CC(",-11.628300322456129],["c2ncsc21",-11.628303162636184],["C[C@@H]1F",-11.62830432768644],["▁O=C(O)CCS",-11.628340224517403],["c3c4ccccc4ccc3",-11.628459570559976],["/C1=C/N",-11.628577274279309],["cc(C)nc12",-11.628640425120048],["▁COC1=C(OC)",-11.628648348637356],["▁Cc1cc(C)nc(-n2",-11.628738577942316],["[C@@H](C)N(C(=O)",-11.62880711356004],["oc1-c1ccccc1",-11.628837455288078],["▁C/C=C(\\C)C(=O)O",-11.628884549682011],["C(=O)c2c(C)n(CC",-11.628885578758448],["c2ccc3occc3c2",-11.628963525646531],["N3CCN(CCO)CC3)",-11.62901237476473],["▁COc1cc2c(c3c1",-11.629070979004318],["C2C3c4ccccc4C(",-11.629201373629504],["▁O=c1cccc",-11.629202777357392],["c2sc3ccccc3n2",-11.629308198305417],["▁COc1cccc(CN(C)C",-11.62944356052157],["c2nc(-c3ccsc3)",-11.62944755215221],["nc2c(-c3ccccc3)c",-11.629464476388137],["2CCCC2)cn1",-11.629467832755704],["2CCC2)",-11.62951462076002],["C4)C3C2=O)c1",-11.629637750900352],["-c2cc(C)no2)cc1",-11.629915839076842],["N1C(=O)[C@@H](N)",-11.63011257798243],["(C(=O)NCCN(C)C)c",-11.630122841113606],["cnn3-c2cccc(N3CC",-11.6301860501508],["▁CC(C)c1noc(",-11.630505862550248],["o4)cc23)",-11.630650053934009],["▁Oc1nc(SC",-11.630694261210932],["N3CCCC(O)C3)",-11.630735664500644],["▁Nc1ncnc2c1c(-c1",-11.630833309699169],["O[C@@]3(C",-11.630968718074184],["[C@]1(C)CCN(C)",-11.631028510831102],["N[C@H]1CC[C@H](O",-11.631052580489296],["▁C/C=C/c1ccc(OCC",-11.631097866960047],["▁CCCC(=O)c1cnc2c",-11.631147237155435],["c2ncnc3[nH]",-11.631187358986912],["(C(=O)NC3CCCC3)",-11.631257173423212],["ccc2c3c(c(=O)oc",-11.631300130701124],["CCCCCCN=C(N)N",-11.631371810925115],["nc3[nH]ccc23)cc1",-11.631384938297236],["c2nc(C)c(C",-11.63139525657438],["[C@H]2CC[C@@H](N",-11.631431782597216],["c2nc3ccc(N)cc3",-11.631433609362904],["C[N+]1=C",-11.631481740527216],["(COCc2ccccc2)",-11.631531858628692],["c1cccc(CN2CCN(",-11.631603951532783],["c4cccc(Cl)c4",-11.63168193544405],["c2cnnn2",-11.631700179766508],["c2cc(F)cc(F)c2",-11.631703766809858],["▁NC(=O)[C@H]1C",-11.631714977449192],["cc3c1=O)C(=O)",-11.631786299480552],["CC3)no2)",-11.63178919648819],["c1ccnc(N)n1",-11.631913998059275],["Cn1cc(CN",-11.631985163778154],["c3)no2)cc1",-11.63199725499739],["c2nc3ccccc3cc2",-11.632059439689147],["c(O)c1=O",-11.63206286485915],["[C@H](COC)",-11.63206310489043],["▁Cc1cc(C)n(-c2",-11.632154808661838],["c(-c3ccc(Cl)s3)",-11.632154975625298],["c(C(F)(F)F)n2)n1",-11.63218268721292],["N2CCN(C(=O)CC",-11.63226150496967],["▁c1ccc(COc2ccc(",-11.632301426588832],["c1nc2c(C)cccc2",-11.632318898550825],["▁CC1CCC(C(C)C)C(",-11.632489319330816],["nnn3C",-11.63253625422558],["▁CC(=O)OC(C)",-11.632650209183051],["(C(C)=O)c(O)",-11.63274852012253],["c4ccccc4n23)cc1",-11.632776384738692],["c2nonc2C)",-11.63292187211658],["(-c2ccccc2C)",-11.633005423135854],["NC[C@H]1CC[C@H](",-11.63304713311548],["C(=O)NCCCCCC",-11.6331951124323],["NC1=NCCN1)",-11.633225554609773],["▁N#Cc1nc(NC",-11.633272192879655],["▁N=C(N/N=C/",-11.63331792081554],["▁CCCc1noc(C",-11.633589917343947],["▁Nc1ncccc1",-11.63372519081911],["[C@@H]3C[C@@H](",-11.633733133656538],["▁Cc1c(F)c(",-11.63375707723004],["OCCO)c1",-11.63382105508738],["▁COCC1CN(C",-11.633829749128903],["c(-c2cnco2)cc1",-11.634040129540791],["▁COc1cc(-c2nc(C",-11.634052729420247],["c1nc(O)c2c(n1)CC",-11.634120813065524],["▁CN(C)c1ncc(",-11.634252818642942],[")N1c2ccccc2S",-11.634261292532615],["[C@H](CC1CCCCC1)",-11.634283485135692],["c2[nH]nnc2",-11.634289341955297],["4CC5CC(C4)CC3C5)",-11.634353083509744],["P-](F)(F)(F)(F)F",-11.634360114627212],["c4cc(O)cc(O)c4",-11.634362982210996],["n[nH]2)CC1",-11.634369375044528],["c2c1ccc1ccccc21",-11.634372815017803],["(O)cc(O)c2)cc1",-11.63437448785638],["Oc3c(ccc(O)c3O)",-11.634431195946387],["c1cc(C(=O)OC)c(N",-11.63449643478166],["(=O)n(CCCl)nnc12",-11.634509525675634],["n2c(nc1=O)",-11.634533269112794],["CC12CCOCC2",-11.634697060310526],["c3c2CCCC3)ccc1F",-11.634733483261442],["c2cccc(F)c12",-11.63477931273768],["(=O)[nH]c(=O)n1C",-11.634915327116154],["c4c(=O)[nH]",-11.63502110553488],["▁CCOC(=O)c1nc(N",-11.635031719079343],["CCN3CCCC[C@H]23)",-11.635054302770945],["CCCCN=C=S)",-11.635171096031604],["CN(Cc2cscn2)CC1",-11.635205149160369],["OC[C@H](O)CN",-11.63522510637467],["c3ccccc3)cccn12",-11.635292226161612],["c2ncc(-c3ccc",-11.635356732219174],["c3cn(C)cn3)",-11.635368015597948],["C(c1ccccc1)O2",-11.635392124092691],["sc2s1",-11.6355014528235],["c2cnc(Nc3cc",-11.635507434122225],["CO/N=C1\\CN2CCC1C",-11.635589305755472],["4)n3n2)",-11.635621534495105],["(c2ccccc2)CCO1",-11.635773260074927],["Cn1nc(C)c(",-11.635797881351534],["c2ccc(SC(F)F)cc2",-11.635827713191391],["cnc4",-11.635830473308696],["CN4CCCC[C@H]34)",-11.635865657553005],["c2cccc(Cl)n2)",-11.63594283517708],["nc(Cl)nc32)",-11.63605784903168],["▁S=C(Nc1ccccc1)",-11.636206034989549],["CC[C@H]3C(C)(C)C",-11.636243828004767],["2CCN(c3ccccc3)C",-11.636263393111689],["▁O=C1OC2(",-11.636335043646488],["Nc2nc(C)n",-11.63643237033735],["cc3nc(O)n(c23)C",-11.636451526928358],["c1ccnnc1)",-11.63646684622313],["cc1-c1nnn[nH]1",-11.636549327311382],["CC2)Oc2ccccc21",-11.6365533878243],[")NC(c1ccccc1)",-11.63656461105017],["▁Cc1ccccc1-n1nc",-11.636602304862118],["-c2nnc(S)n2/N=C/",-11.636673822567303],["N)s1",-11.63669065379346],["CCN(C)C3=O)",-11.636837463569911],["CCN(Cc1cccnc1)",-11.636840982111872],["C1CC2CC1",-11.636851217898387],["COc2ccccc2C)",-11.636861168660372],["c1cc(OC)ccc1-",-11.637040788866022],["cc(-c2nc3ccccc3",-11.637138529933155],["c3c(C)cccc3Cl)",-11.637180638169871],["c1ccnc2ccccc12)",-11.637202384852175],["c2cc(C(=N)N)ccc2",-11.637231134532682],["NC2CCCCCC2)",-11.637266807364751],["▁CCC(=O)N1CCC(N",-11.637356135140276],["nnnn12",-11.63739276893481],["c1nc(NCCO)",-11.637480543296745],["▁c1cc(CNC",-11.63748893820571],["▁Cc1ccc(NC2=N",-11.637543078493009],["CC1(C)C(=O)N",-11.63762454499237],["C3=O)CC2)c1",-11.637642969833305],["c1ccc(-c2cc3c(N",-11.63769772268287],["▁COc1cc(OC)nc(N",-11.637748175775496],["▁CC(=O)[C@@]1(O)",-11.638082514070952],["c2cc(C3=NCCN3)",-11.638114056827307],["c3nc(C)n",-11.638260241724872],["(CC(=O)c2ccccc2)",-11.638278159948785],["[C@@H](N)CCCCN",-11.638283365212438],["c3ccc(C4",-11.638288750703474],["▁O=C(c1cc(",-11.638381034484189],["c2=O)[C@@H]1O",-11.638471964329392],["(OCC#C",-11.638563268453936],["C(C)C4)",-11.638640125516526],["▁Cc1ccc(Cl)c(N",-11.638653565887555],["▁CCCCN1CCC(CO",-11.638658419980612],["C2OCCO2)",-11.638662442101792],["N2C(=O)C3C4CCC(",-11.638798781748724],["▁CCOC(=O)/C(=C\\N",-11.638847536465589],["c1ncnc2sc3c(c12)",-11.638878780492671],["▁CC(C)=CCN1",-11.63892798540988],["[nH]c(C(=O)O)c1C",-11.638947620488535],["CC[C@@H]3O)",-11.638973625428378],["c(C2CC3CCC2N3)c",-11.639082452821766],["CC[C@H]1C2",-11.63909302386133],["3CCN(CC4CC4)CC3)",-11.63911707440871],["c1csc(C)n1",-11.639131117552363],["▁COCC1CC2(CCN(",-11.639152812827056],["2CCC3(CCC(=O)N(C",-11.639159136508392],["C[C@@H](C3)C",-11.639318663617363],["c3ccccn23)",-11.639330695405324],["cc(-n2nnc(-c3",-11.639433742167776],["CC(C)O2",-11.6394764484999],["c(-c2cnc(N)nc2)",-11.639539879470563],["▁CC(=O)N1C(=O)",-11.63967955263611],[")=C(/O)C1CC",-11.63977863848588],["▁CNCCCCOc1ccccc1",-11.639926408093352],["(C(=O)Nc1ccccc1)",-11.63998955672656],["-c2csc(NN=C3CCCC",-11.64002647254432],["C(=O)N2CCCN(C",-11.64008462540103],["C2C3CCC4",-11.640157342461292],["Cc1c(C)noc1C",-11.640197678011694],["▁c1ccc([C@@H]2",-11.640288832674829],["CCN2CCN(C)CC2)",-11.640371898736277],["(O)cc2o",-11.64043001618069],["C2(CCCCC2)O1",-11.640446718083668],["c3cccc(F)c3)cn2)",-11.64046044153873],["C(=O)N2CCS",-11.6405015700921],["c2cccc3c2c(c",-11.640520759054182],["▁Cc1nc(C2CCCN2C",-11.640538681788003],["▁CCCCC(CC)CN",-11.640558735829586],["CC(C)CCCC(C)C",-11.640564912964637],["[C@H]2C[C@H]3CCC",-11.640584089773096],["(C(N)=O)c(Nc2ccc",-11.640584727835186],["4)C1",-11.64065448541752],["/C=C(/C=O)",-11.640737360697887],["C4CCN(C",-11.64077021704117],["C(SCCN)",-11.640791587469586],["▁CC12CCC3C(C",-11.64080138240437],["▁CCOC(OCC)",-11.640830641583491],["(Cc2ccsc2)",-11.640875977832502],["OC(=O)CC(C)C)",-11.640888658753331],["(C(=O)N3CCCCCC3)",-11.640911973586332],["N2CCN(C(=O)CO",-11.640959883836532],["▁CCN=C(S)NNC(=O)",-11.641045481557914],["(NC(=O)C2CC2)",-11.641090202754398],["n3cccc3)",-11.64120972122596],["3CCNCC3)c2c1",-11.641244552720366],["C(=O)N=C1N",-11.6413784804656],["c3ccccc3)C2)n1",-11.6414445567442],["▁O=C1O[C@H](",-11.641478272494874],["45)",-11.64152158001846],["nc(C[S+]([O-])",-11.64153587651499],["n3cnc4c",-11.64154564341663],["OC(n2cnc3c(N",-11.641590441135303],["c1cc2c(c(O)c1O)",-11.641711443508772],["c3sccc23)c1",-11.641762306016489],["n3)nc2c1",-11.641768190389303],["▁O=C(Cc1ccccn1)",-11.641802951615118],["N(CCN(C)C)C(=O)",-11.641846168180113],["▁Nc1nc(N)c2nc(",-11.641918290928997],["▁Cc1cc2oc",-11.641937855339147],["S[C@@H]2/C(=C\\",-11.641963242647686],["(Cn4ccnc4)",-11.641974949033507],["(c2ccc(Cl)cc2)N1",-11.642075799946092],["▁CC(=N)NCc1cccc(",-11.642143172756873],["c2ccc(O)cc2Cl)",-11.642150810524898],["[C@H]1[C@H](C)",-11.642252378411364],["[C@@H]3Cc4ccccc4",-11.64237795582716],["▁CC(=O)c1ccccc1N",-11.642440225470274],["c(Cl)c(Cl)cc32)",-11.64249535969403],["CCN(C(C)=O)C",-11.64264096438438],["c(-c3ccccc3)nn2",-11.64266071469014],["C3)ccc12",-11.642672410517504],["▁CN1C(=O)N(C)",-11.642718443211544],["▁O=C(CSc1ccccc1)",-11.64274904427934],["ccc2-3)",-11.64299670444948],["▁C=CCC1=C",-11.643027680780074],["c2ncccc2n1",-11.643036818147303],["c1cn(CC(O)",-11.643087542260732],["CCCCCC)cc1",-11.643106417267065],["▁CN/C(=N\\",-11.64315023921774],["COC(N)=N2)",-11.643172937965296],["C(=O)c2coc3c",-11.643175835486025],["C(=O)N4CCOCC4)",-11.643292851652804],["c2cccc(Br)c2)CC1",-11.64342896511255],["▁Nc1ncnc2c(",-11.643546333361504],["c(-c4ccc(OC)cc4)",-11.643625346753488],["Cc2cnc(Cl)s2)",-11.643680706746776],["c1nc2c(C(N)=O)c",-11.64368855826122],["▁c1cc(-c2cn",-11.643727351628062],["C1OC(CO)",-11.64375475849678],["▁OC[C@H]1OC(",-11.643758760671698],["▁C=C(C(=O)OC)",-11.643781772303788],["▁Cl.Nc1nc(",-11.643800371861111],["c(O)c(C(=O)N(C)",-11.643817518147166],["CC2)nc2ccccc12",-11.64392883108065],["nn2c(C(F)(F)F)c",-11.6440106622976],["▁CCC(=O)NC(",-11.644014467624004],["c2c(c1O)C(=O)CC(",-11.644021195225836],["C4CC4)c3)",-11.644184011721125],["c3ccccc3C)CC2)",-11.64438468778238],["ccc43)c2=O)",-11.644411329465726],["▁COCCCN1C(=O)",-11.644414271132296],["CSC#N",-11.644516034877524],["▁O=C(Nc1nnc(SC",-11.644548247709462],["CSc1nc2ccccc2cc1",-11.644609793091444],["CCN1CCc1ccccc1",-11.64464372084803],["c3cc[nH]c23)cc1",-11.6446911825389],["n2cnc3ccccc32)c1",-11.64474061473784],["▁CC1=CC2C",-11.64474589235014],["N(O)C(C)=O)",-11.64476017123652],["▁CCCCCC1",-11.644787391028029],["c3ccncc3)c2c1",-11.644840616774552],["c(OCc3ccccn3)",-11.644842655002032],["▁N#Cc1nc(CO",-11.64500738876393],["c3ccc(C)cn3)",-11.64506202036753],["(-c2ccc(F)cc2F)",-11.645136624991949],["2=NNC(=O)CC2)cc1",-11.645180934180187],["/C(C)=N/OC",-11.645202226208989],["N1CCCC(c2nccn2C",-11.645236325253652],["2)OC1=O",-11.645253800271618],["▁CO[C@]1(",-11.645303085353044],["2(CSC3=C2C(=O)c2",-11.645393317402965],["c(C#Cc3ccccc3)",-11.645470413333008],["▁CN(C)c1ccc(C#C",-11.645555127716747],["Cn2c(C(=O)O)c",-11.64558906802958],["▁COCCn1cc",-11.645631793774442],["CC3)cc2)",-11.645634951495625],["N(c1ccc(Cl)cc1)",-11.645663768019748],["C2(O)C(F)(F)F",-11.645669478094922],["nc3sc(C)c",-11.645677769827527],["c1coc(CO",-11.64569784661546],["C2)OC1=O",-11.6457774397293],["▁O=C(NCCN1CCCC1)",-11.645866475646976],["NCc2coc(-c3ccc",-11.645922325461015],["c4c3CCC4)",-11.646040750007725],["ccc1C(C)C",-11.646156806143342],["c(OCC=C)",-11.64616569209231],["(NC(=O)N[C@@H]3C",-11.64629959889907],["▁Fc1ccc(-c2cn",-11.646558817508168],["▁C=CC(=O)OCC",-11.646559443160523],["▁Clc1ccc2c(NCCN",-11.646595817077134],["▁CC(C)=CCOc1cc",-11.64676060384786],["(-c3cccc(F)c3)c",-11.646962028131805],["C(c2ccc(N)cc2)",-11.646968042561426],["▁Cc1csc(NC(=O)CS",-11.647045889267403],["C2CCC1N2",-11.647079928534083],["c2ccc3ccccc3c2C1",-11.647120358253472],["c1[nH]nc(N)c1",-11.647142356364665],["▁CC(C)(O)c1cn",-11.64719723018342],["c1cc(O)ccc12",-11.647206295334218],["C1CSCN1",-11.647207907259864],["cc(-c2cnc3[nH]",-11.647483814967718],["▁CCNC(=O)[C@@H]1",-11.64762903324512],["c2cnc(C)",-11.647699547792891],["n([C@@H]2",-11.647793126896977],["(N3CCN(",-11.647815882181316],["(Cl)cc2Cl)o1",-11.647859446526592],["c3nc(-c4ccccc4F)",-11.648062128945366],["c(-c3ccccn3)no2)",-11.648129647659962],["c3cc4c(cc3c2",-11.648187095429162],["▁O=C(c1cccnc1)N1",-11.648225910356206],["▁CCNc1nc(NCC)nc(",-11.648235739755696],["c2ccc(-c3cn",-11.648308868450568],["C(=O)N1CCCC(N",-11.64832489564362],["c3cccnc3)cc2)cc1",-11.648375497282608],["cc3n12",-11.648563426251158],["CC3(F)F)",-11.64856699755298],["[C@H]2[C@H](C)",-11.64860699689866],["N1CCS(=O)(=O)CC1",-11.648616371200564],["Nc1n[nH]c2cc",-11.648624447174065],["C(C1CCCCC1)",-11.648696232903209],["c2nn3c(-c4ccccc4",-11.64870364257544],["/C(=C(/O)OCC)C1",-11.648903814830378],["c2cnn3cccnc23)",-11.648906394489702],["▁COC(=O)[C@@]1(C",-11.648993770051751],["c1ccc(N2CCC(O",-11.649053139430526],["N5CCOCC5)",-11.649060001994672],["▁C=CCSc1nnc(",-11.649169772659322],["c1cccc2c1cnn2",-11.649169867756251],["c3csc(C)n3)",-11.649194552801758],["N(C)Cc3ccco3)",-11.649387100435687],["c1ccncc1)c1ccc(",-11.649410319992343],["c1nn2c(=O)cc(CO",-11.649420258012428],["▁O=C(Nc1nc2ccc",-11.649815433037364],["▁Nc1ncc(-c2ccc(-",-11.64981931379871],["c(O)nc2ccccc2c1O",-11.649979046086404],["/C=C\\C/C=C\\",-11.650006460752952],["▁C/C(=N/O",-11.65004336395295],["▁CCCCn1nnnc1",-11.650054022964442],["▁Nc1cc(N",-11.65016182507283],["▁CCCCCCCOc1ccc(C",-11.65018145018957],["c1nnc2cc",-11.650185844343104],["C[C@H]1O[C@@H](O",-11.650264569633716],["▁CN(C)CCCn1c",-11.650355651307557],["C(=O)Nc2ccc(C)c",-11.65048056385844],["N3CCCC3)cc2)c1",-11.650481155559936],["c(Cl)c2)cs1",-11.650650998440224],["c3cncs3)",-11.6506613957169],["F)cccc3F)=N2)c",-11.650713208689336],["C1C2CCC2(C)C1C",-11.650842507183036],["CN1c2ccccc2Sc2cc",-11.650873302905854],["nnc(-c2ccco2)o1)",-11.65089220149857],["▁N#Cc1ccc(/C=C/",-11.650916635691384],["NC(=O)C2(C)CCN2C",-11.651153618370092],["▁c1ccc2c(c1)CC(",-11.651217669482149],["CC12CCC(",-11.651294484509616],["C1CCCOC1",-11.651330757821745],["c2ccc(Cn3c",-11.651572148473896],["COc1ccccc1F)N",-11.651628495827318],["▁C=C1CC(",-11.651653801699288],["▁CCc1nnc(SC",-11.651689433344478],["c4nnn[nH]4)",-11.651732272990213],["cc4C)",-11.651753880158168],["C(=O)C1=C(O)C",-11.651780234750106],["N3CCCCC3C",-11.651878628346202],["▁Cc1c(F)cccc1",-11.651884837958928],["▁C/C(=C\\c1ccc(",-11.651911000069068],["▁CC1CNC(=O)c2",-11.651948709494787],["▁COP(=O)(O)",-11.652084706396195],["(F)c(F)c1)c1nc(-",-11.652087248609662],["▁Cn1ncc2c(NC",-11.652114621643769],["nc3ccc(Cl)cn3c2",-11.652163242165216],["NCCC(c1ccccc1)",-11.652195068244833],["o2)C1=O",-11.652256736325182],["c1ncnn1C",-11.652270880368077],["n1nc2ccccc2n1",-11.652313426152688],[".N#C",-11.652318046175624],["▁O=C(CBr)",-11.652407279647049],["COc1ccc(C#N)cc1",-11.65255234418351],["c3nc[nH]n3)",-11.652618660002805],["N2CCC(C(=O)c3ccc",-11.652633203995965],["COc1ccccc1Cl)N",-11.652649139207128],["▁NC1CCC(",-11.652701098665972],["c1nn(C)c(C(=O)NC",-11.652749095499736],["c2cccc(I)c2)",-11.653121966605092],["▁Nc1nc(S)",-11.653161061613586],["c1ccc(NC(=S)N2CC",-11.653178030848483],["c2c1oc1cc",-11.653275838560436],["O)CC[C@H]2[C@@H]",-11.653313094700556],["[C@H]2CC[C@]1(C)",-11.653387045679269],["C(C)(C)C#N)",-11.65359655886462],["▁Cc1noc(C)c1-c1c",-11.653622920495966],["/C(=C(\\C)N",-11.653674011012924],["▁CC1CC(N",-11.65368697519024],["▁Oc1c(Cl)cc",-11.653773554349476],["c(N2CCC(N3CCCC",-11.653943183643293],["c2ccc3nc(O)",-11.654034636930351],["cc(O)c1C2=O",-11.65415034096161],["n2cncn2)c1",-11.654228518884738],[")NC1CCCCCCC1",-11.654265249274738],["c(Cc3cc",-11.65427795115191],["-c2ccc(C)cc2)c1",-11.65438366463201],["C(=N)SC",-11.654522234560046],["c(C#N)c2c1CCCC2",-11.654564274144594],["OC(C)(C)OC2",-11.654572312134077],["c(-c3ccccc3)n2n1",-11.654576409184475],["C3CC3)nc12",-11.654589031915627],["c2[C@@H](N2CCCC",-11.654679368607953],["C(=O)Nc1ccc(C#N)",-11.654891715707889],["Oc2ccc(C)cc2",-11.654921352888175],["nc2c1CCN(C(=O)",-11.655009572607684],["C[C@@H](C)[C@H]1",-11.655075413352296],["C(=O)NO)ccn12",-11.655096423986782],["▁NC(=O)c1cn(",-11.655213909066257],["C(=O)c2ccc(OC)",-11.655341331302278],["(c2ccccc2)CCCCC1",-11.655408963154748],["c1cc(Cl)cc2c1OC",-11.655449350507675],["c1cccc(-c2nnc(-",-11.655467967122856],["c2c(C=O)c",-11.655542822921252],["n1-c1cccc(O)c1",-11.655551710429592],["c3ccccc3n2C)cc1",-11.655624146494644],["/C=C/C=O",-11.655635172606718],["n1cnc2c1c(=O)n(C",-11.65565904424115],["CN(c2ncccn2)CC1",-11.655732557737853],["=C(/C)",-11.65580622146582],["c1nc(S)n",-11.656086501314036],["CC1CCCCO1)",-11.656099774551766],["(-c3cccnc3)n",-11.656158269805363],["CN(C(=O)NC",-11.656360748883168],["▁Oc1nc2ccccc2n1",-11.656553627544078],["[nH]3)cc2)cc1",-11.656580811579223],["c(S(N)(=O)=O)s2)",-11.656703461078486],["c(Sc2ccc(Cl)cc2)",-11.656786269243126],["▁O=C(/C=C/c1cccc",-11.656888300339844],["c1nc(C2CC2)no1)",-11.65696393724176],["N=C(S)Nc1cc",-11.656984377928737],["cc23)cc1OC",-11.657009644308346],["Nc1ncccc1",-11.657101905208885],["c(O)c1/C=N/",-11.657171311704314],["c(C(C)=O)c(C)",-11.657271761751716],["4c(c23)CCCC4)cc1",-11.657381567234054],["c(=O)n3C)cc1",-11.657418636258704],["CCCc2c1[nH]c1c",-11.657430780311056],["N2CC3(CCN(C(=O)",-11.657450951339149],["C(C)(N)C",-11.65751491084005],["N(CCc3ccccc3)C",-11.657554415671276],["c2c[nH]c(=O)",-11.657562068601871],["CN(CCCCN)C",-11.657665989518025],["2)CCC1=O",-11.657776954729565],["[nH]c(=O)c21",-11.657903749497777],["(C)n2c1n",-11.657937884420829],["c3c(NCC",-11.658031532189828],["n(-c2ccc(F)cc2F)",-11.658121501993858],["▁COC1(OC)",-11.658124634841911],["▁CCCCCC(O)CC",-11.658235781718352],["c(/C=c2",-11.658272641722542],["oc3ccccc23)cc1",-11.65831395096241],["cc31)C1CCC(C2)N1",-11.658379022446171],["▁CCc1nccn1C",-11.658437802960542],["▁CN1CCC(=C2",-11.65847959870167],["ncc2cc1-",-11.658498910310906],["▁Cc1nc2c(s1)",-11.65850249987774],["▁O=c1c2ccccc2nc",-11.658586802270362],["3CCN(CC4CCC4)C(C",-11.658743585843972],["1)c1cccc(=O)n1C2",-11.658750899013231],["N(c1cccc(C)c1)",-11.658759844444974],["▁CCSC(=S)SCC(=O)",-11.658773677739706],["[S@@+]([O-])",-11.658786375815758],["C1CC1(C)C)C(=O)O",-11.658854565881583],["C3=NCCS3)",-11.658860450775071],["CCCCc2ccccc2)o1",-11.658920255844988],["▁N#CC1=C2",-11.65895370991038],["[C@](CO)(",-11.659020784926277],["N(CC(=O)N1CCCC1)",-11.659151899991722],["▁CC1CC/C(=N\\N",-11.65920462519976],["c2nc(O)nc(O)c2",-11.659262205992754],["CC[C@@H]3[C@H]12",-11.659279426510349],["c1ccc2ccn(C",-11.659367070677854],["NC(=[Se])N",-11.659449048849732],["OC(C)(C)O[C@H]12",-11.65946054061938],["C(=O)[N-]",-11.659628103123962],["nc2n2c(-c3cc(",-11.659827488300794],["▁CC(C)CCN1CCN(C",-11.65984134663383],["c2nncc1-2",-11.659862637302757],["C=C2C1=O",-11.660019438521289],["cnn1-c1ccc(F)cc1",-11.660058277904284],["(C)C)C1=O",-11.660182230957654],["CC2CCCO2)CC1",-11.660301436403362],["c1nc(Cl)ccc1Cl",-11.660366466423133],["C(CO)c1ccccc1)C2",-11.660381163157176],["/C=C1\\SC(=S)N(",-11.660401210799028],["(-c2ccc(C)cc2)c",-11.660426904670931],["COc1cccc(C",-11.66057934642695],["c1ccc(N2N=C(",-11.660620065614548],["▁COc1nc(C)nc(",-11.660684109581824],["CC[C@@]32C)",-11.660745566120122],["▁O=Cc1ccc(O",-11.660825084899727],["C(=O)C2CCCO2)CC1",-11.661065710345554],["c(S(=O)(=O)N2N=C",-11.661098689809911],["▁CC(C)NCC",-11.661141501499912],["(C)c1[nH]cnc1/C=",-11.661158269567784],["C1=[N+](C",-11.661222407610744],["▁CN(c1ccc(C(=O)N",-11.66126394276848],["c(C2(C)NC(=O)N(C",-11.66133210160116],["/C=C\\C/C=C\\CCCCC",-11.661349329248944],["c2c(F)cccc2F)on1",-11.661384867299052],["c(-c2ccc(N3CCC(",-11.661445260121091],["c1cccc(C(=N)N)c1",-11.661510799628356],["▁COC[C@H]1CCCN1",-11.661568159816513],["▁CCCC1(CC(=O)O)",-11.661657891524827],["/C(C)=C1\\",-11.661662193808615],["▁Cc1ccn2c(=O)",-11.661744747065926],["C(=O)N2N=C(",-11.661759314324186],["C2CCCCCCC2)cc1",-11.661811655074729],["▁COC[C@@H]1CCCN1",-11.661815691379315],["4CCOCC4)c23)c1",-11.661820090644593],["cc(Cl)n3)",-11.661832352928268],["Cn1ccnn1)",-11.661841362762011],[")n1sc2ccccc2c1=O",-11.66190378359878],["▁Nc1c(N",-11.661964425859484],["cc34)ncn2)C",-11.66207964450046],["▁CC(Cn1ccnc1)N",-11.66209707191036],["n2O)cc1",-11.66217590217029],["nc(-c4ccncc4)",-11.66223954069502],["CN2C(=O)S/C(=C\\",-11.662379576854573],[")Nc1cc(Cl)ccc1",-11.662433459332108],["N=C(C)C(N)=N1",-11.662463209032229],["c1cc(Cl)ccc1S",-11.662550152389382],["[S+](C)[O-])cc1",-11.66257624699011],["c2nnc(C(C)C)s2)",-11.66271344085107],["[C@H]2CCCO2)",-11.66274823815016],["s2)no1",-11.662750669735429],["c3ccccc3OCC2",-11.662776016952227],["C(c2ccccc2O)=N",-11.662821601187826],["c(CN3CCCC3)c",-11.663014355191226],["2COC2",-11.66303938538049],["c1ccc2c(c1)nc(C",-11.66309672724086],["▁Oc1ncc(",-11.663102492243738],["/N=C2/CCC",-11.663201347792072],["n2cc(C(F)(F)F)cc",-11.663246581365849],["c1sc2ncccc2c1",-11.663374335593126],["C(C)C2)cc1",-11.66344782567521],["▁CCC1(CC(=O)O)",-11.66350573683848],["C1(C(=O)OCC)",-11.66368249662058],["nc2c(c(C)nn2",-11.663695709203935],["[C@@H](S)",-11.663739825541164],["C)CCC[C@]2(C)c3c",-11.663769835830934],["4CCCCC4)ccc3",-11.66379563920045],["[nH]c(=O)n(C",-11.663898959800484],["(C(F)(F)F)cc2Cl)",-11.66404692640756],["▁C[C@H](CO",-11.66410025136076],["nn2c(O)c1C",-11.6641071874113],["n(-c2ccc(O)cc2)",-11.664114191286648],["c3ncccc3Cl)",-11.664140832911055],["C2CCC(=O)N(CC",-11.66421129349173],["c1nc(-c2ccsc2)",-11.66430567382653],["c1nc2n(c1",-11.664500137285652],["C(c2ccsc2)",-11.664524931515786],["▁CCCC(NC(=O)",-11.664736384445176],["nc32)CC1",-11.664754117176669],["C3)[C@H]2C(=O)N1",-11.664802903642515],["▁OC(CCN1CCN(",-11.664847985560597],["(-c3ccc(Br)cc3)c",-11.664858925041695],["c1cccc(Br)n1",-11.66490640651566],["c1cc(NCc2c",-11.664992246067484],["COc1coc(CN2CC",-11.665014720760148],["▁O=c1c2c(o",-11.66505166179521],["▁Nc1oc2c",-11.665197412920524],["▁COC[C@@H](N",-11.665203820786587],["▁COc1ccc2c(ccn2C",-11.665214303248453],["c1cccc2nc3cc",-11.665377641850515],["c3ccccc3F)CC2)c1",-11.6654144009708],["c2cc(-c3ccccn3)",-11.665435304243417],["C(N4CCCCC4)CC3)",-11.665441268364422],["C(=O)Nc1n[nH]c2c",-11.665472738577275],["(SCC)",-11.665578427158769],["cc2CC1C",-11.66557936947282],["▁NNC(=O)c1ccc(",-11.665587415232023],["2CC(=O)NC(=N)N)c",-11.665803703647226],["▁COc1cc2nccc(O",-11.665926082820151],["▁CCN(CC)C(=S)S",-11.666013187201663],["c(Cl)c(OC)",-11.666022725286457],["c1cnco1",-11.66628215839336],["c4sc",-11.66648632068123],["▁C[C@@H]1CCC2",-11.666557391673164],["▁O=C([O-])c1c",-11.66659545341264],["=C(\\Cl)",-11.666730897779104],["C)C(=CC1=O)",-11.666811688391196],["[nH]c3ccc(-c4n",-11.666864435239596],["▁CC(C)CC(C(=O)N",-11.666866630558644],["c2nnc(C3CC3)s2)",-11.666881827336756],["C2(c3ccc",-11.666981485842667],["▁COc1c(N2CC",-11.667084935707788],["[C@H]2CNC[C@@H]2",-11.667085472984532],["n1-c1ccc(C)cc1",-11.667089990205977],["▁c1ccc2cc(C",-11.667110252376617],["CCOC3(CCCC3)C2)",-11.667252315582887],["C[S+](C)[O-])",-11.66727082424373],["c3ccccn3)C2)C1",-11.66728979849118],["4)c3c2)",-11.66729542574756],["2(CC(C)(C)Oc3ccc",-11.667373777477156],["c4ccccc34)n2)cc1",-11.667393836318606],["c4cc[nH]c4c3)",-11.667539645634212],["c(-c2nonc2NC(=O)",-11.667589639829233],["CCCBr)",-11.6675912973963],["c2nnc(C)n2",-11.667613159597243],["▁Cc1cc(C)c2c(=O)",-11.667684999707468],["n2nc(C)c(",-11.667736024100952],["▁CCCN1CCC[C@@H]2",-11.66779470494058],["c3csc4ccccc34)",-11.667876432061403],["C(C)C)cc2)n1",-11.66788623512116],["c2)N=C1N",-11.66793544195608],["▁O[C@@H]1[C@@H](",-11.6680468568877],["c3ncccc23)c1",-11.668140752390189],["▁CC/C(=N\\NC(=O)",-11.66814582140315],["▁CCOCCO",-11.668170522994709],["CN(S(C)(=O)=O)C2",-11.668179774287442],["c3sc4ccccc4",-11.668247284919527],["CCCCC2)c1",-11.668286698588748],["c2cncs2)",-11.668561820335109],["O)C3",-11.6686119404146],["1CCOC2(",-11.66869901558682],["N(Cc1ccccc1)C2=O",-11.668844982755257],["NC(=O)Cn1c(=O)",-11.668894274293407],["N2C(=O)C3CCCN3C2",-11.66902244532346],["3CCOC3=O)",-11.669062257906493],["c(=O)[nH]1)N1CC(",-11.669257216405365],[")cc3nc2c1",-11.669355082068623],["n(Cc2ccc(Cl)cc2)",-11.669418835521054],["=C(c4ccccc4)CC3)",-11.66943386250271],["C1=CCN(",-11.669443613176949],["▁Cc1sc2nc(SC",-11.66948413850373],["N(CCO)CCC(=O)",-11.669571137025184],["▁Cn1c(=O)nc2n(",-11.669615323655218],["cc2c(=O)n1-",-11.669620099275509],["c(=O)c1Br",-11.66967893806887],["(c1cccnc1)N1CCN(",-11.669824982637182],["C(C(C)=O)=C(O)",-11.669922007126065],["c2cccc3c2OCCO3)",-11.669999867978117],["▁COc1cc2c[n+](C",-11.670055802720324],["▁O=C(NO)c1ccc(-",-11.670064232430835],["[C@H]2OCC[C@H]21",-11.670324943527628],["CO)O3)c2n1",-11.670398459439394],["▁c1ccc2[nH]c(-",-11.670403441455065],["C3)c(F)cc2c1=O",-11.670445930708226],["CCn4ccnc4)",-11.67059055761828],["cnc2cn1",-11.670678552978508],["▁OC(c1ccc(F)cc1)",-11.670680998500034],["c(-c2cc(=O)c3cc",-11.670741250675894],["c1cc(Br)c(O",-11.670822564501805],["▁Cc1cc(-n2nc",-11.670833107487915],["C2CC2)no1",-11.670861654017129],["▁CN1[C@H](C",-11.671222110426962],["Nc2cc(C)nc3nc",-11.671298862152202],["▁COc1cc2cc(-c3cc",-11.671322164881218],["n(-c3ccccc3C)",-11.671517321424636],["c1ccc[n+](",-11.67152040381568],["1C5",-11.671570113678047],["c1cc(-c2ccccc2F)",-11.67171570940458],["c3c(C)cc(=O)oc3",-11.671869134546483],["CCN3CCNCC3)",-11.671879882196606],["N1CC2CN(",-11.671984332184364],["N(C)C)c1ccccc1S2",-11.671997181467985],["c1ccc(/C=C2\\C",-11.67206650334884],["c1ccc(NC(=S)OCC",-11.672082070647582],["([S+](C)[O-])",-11.672127682268323],["nc2n(c1=O)CC",-11.672335453393654],["▁COc1nc2c(",-11.672395236834546],["=C1c2ccccc2CC",-11.672403789056196],["c1c2c(cc3c1",-11.672456343552012],["C(=O)c1cnn",-11.672460754047826],["CN3C(=O)C",-11.672478692430854],["2CN(Cc3ccccc3)",-11.672480961301462],["O)[C@H]1C(=O)N2",-11.67248877107719],["▁CSc1nc2c(",-11.67259583766526],[")c(N2CCOCC2)c1CN",-11.672604049782931],["([S-])",-11.672671548418307],["C1c2ccccc2CCN1",-11.67279771819176],["N1Cc1ccncc1",-11.672813936969916],["▁O=c1[nH]c2c(",-11.672822158150048],["▁CCc1nn(CC(=O)N",-11.67285542286337],["/C=C(/CO)",-11.67300008974612],["/C=C/C1CCC(=O)",-11.673020775189896],["C2(CCCCC2)O",-11.673037478699053],["Cc3nccn3C2)",-11.673049404020928],["▁O=C1C(Cl)C(",-11.67305221313418],["c2ccc(C)s2)cc1",-11.673059324997876],["▁CC1=NC(C)=C(",-11.673434975901124],["c(C(F)(F)F)cc3)n",-11.673499199818515],["▁CSc1sc(",-11.6735923905179],[")N/N=C/c1ccco1",-11.67363313618694],["ccn32)",-11.673694892401263],["3c(c2)OCCO3)s1",-11.673749180386196],["▁CC1CCN(CC(=O)N",-11.673946295040786],["c3ccsc32)",-11.673962927297282],["CC(Cn3cncn3)C2)",-11.67409784995688],["c(Cl)c2cccnc12",-11.674181596185322],["▁C=C1CC/C=C(\\C)C",-11.674255802746124],["(n2cnc3c(NC",-11.67427717420466],["c1c(C(=O)N/N=C/",-11.674285458154383],["(Cl)c(Cl)c(Cl)c1",-11.674297793551895],["c3ccnc4",-11.6743237194145],["c3cc(O)cc(O)c3)",-11.67450637037565],["Cn2ccc(=O)",-11.674678917384329],["c1ccc(F)cn1",-11.674780392207884],["c2ccncc2c1",-11.674914574080423],["c3ccccn3)cc2)C1",-11.675054971749594],["c(CCNC(C)=O)c",-11.675059493513784],["n2cc(C#N)",-11.675115667248187],["▁CC[N+](C)(CC)CC",-11.67521012215176],["C4CCCCC4",-11.675261919971016],["▁CN1C2CCCC1CC(",-11.67538903244285],["c1nn2c(=O)c",-11.675441472959704],["c4ccccc4N3",-11.675445021062076],["C2COCCN2",-11.675512589474035],["▁CCCCCOc1ccccc1",-11.67552707056408],["▁c1ccc(Oc2ccc(",-11.675571393119696],["c2ccccc2)ccc1Cl",-11.67571975536352],["sc(S",-11.675751653437752],["▁CC(=O)C(=C",-11.67575216558965],["N1CCC2CC1",-11.675811645767867],["C=C4C[C@@H](O)CC",-11.675821303622673],["c2ncc3c(n2)CCN",-11.67589209844326],["▁Cc1cc2[nH]c(=O)",-11.67595180215774],["n1c(=O)c2[nH]c(C",-11.67603400778892],["c2cc(-c3ccc4",-11.67603481173593],["▁CCOc1ccc(Br)cc1",-11.67604648514618],["c3c2CCC3)cc1",-11.676118001760738],[")c(F)cc1Cl",-11.676240640878667],["COc2ccc(Br)cc2",-11.676326205347369],["c1cnn2ccccc12",-11.67637491514926],["cc(C(F)(F)F)c12",-11.676430712970754],["c4ccccc43)CC2)",-11.676470534965514],["c3nnc(C4CC4)",-11.67649425271692],["▁c1ccc2c(-c3n",-11.67656648418174],["▁O=C(CCN1CCCCC1)",-11.676593714287254],["cc2c(cc1Br)OCO2",-11.676616021634104],["Cc1noc2ccccc12",-11.676631189035303],["c1ncc(CN2C",-11.676631846128704],["oc2C)cc1",-11.67690243983548],[")nc(N)nc32)",-11.676953829859336],["(F)c(F)cc(F)c2F)",-11.67702492069072],["CN(C(=S)NCC",-11.67705324984747],["▁CN(C)/C=C1\\",-11.677053456585],["[C@H]2OC(C)(C)O",-11.677074209639104],["▁Cc1cc2[nH]c(",-11.67720392141772],[")c2=O",-11.67720752289704],["N1C(=O)[C@H](",-11.677305800211853],["Oc2ccccc2-c2cc",-11.677313937560784],["C(=O)N(CC(N)=O)",-11.677425084713466],["▁CO[C@H]1C(=O)N2",-11.677518316954323],["nc3ccsc23)cc1",-11.6776269248325],["[C@H]2CO)cc1",-11.677637177664929],["cc2Cl)cs1",-11.677671811738792],["/C(=C/C#N)",-11.677727809236227],["▁CCCCCCCCS",-11.677794268641502],["C2Sc3ccccc3N",-11.677810885040628],["c2nc(-c3ccccc3C)",-11.677826280909626],["O[C@@H]2CCN(c3cc",-11.677853660596298],["c3cccc4cccc2c34)",-11.67793296153987],["c3nnc(SC",-11.677977189080371],["c3noc(C)n3)",-11.678055425230076],["[C@]23COC[C@H]2",-11.678059417358488],["SCCC(=O)O)",-11.678128813486657],["▁COc1cc2nc(C",-11.678167616750647],["=C2N)cc1",-11.678218322090734],["C[C@@]2(C)C(CC",-11.678331700164204],["[C@@H]3C2)cn1",-11.67835610714808],["▁N#Cc1c(/N=C/",-11.678382911506816],["c2c(CN3CC",-11.678538458408],["(O)oc2ccccc2c1=O",-11.678552230473336],["/N=c2\\s",-11.678581695479076],["CCCn1c2c(c3cc",-11.678765604880212],["▁CCCCCCOc1cc",-11.678870326584835],["CSc1nnc(-c2cc",-11.678890189673186],["c3nc(O)c",-11.6789357727668],["(NCCN(C)C)",-11.67896857892422],["CCCNc1c2ccccc2",-11.678973270274296],["c(-c4ccncc4)nc3",-11.67910026261556],["c3cn([C@H]4C",-11.67911235190435],["c3ncccn3)CC2)",-11.679179597683383],["c(-c4ccco4)n",-11.679225613624512],["N3CCN(C)CC3)cc2)",-11.679245439963712],["2CCC(CC2)C1",-11.679283255513646],["▁CCn1ncc2c",-11.679347143139092],["c2cc(N3CCOCC3)cc",-11.679533079793432],["▁Fc1ccc(CN2CC",-11.679605776785394],["▁COc1ccnc(N",-11.679744173480344],["C(=S)N2CCCC2)cc1",-11.679781155988906],["oc3ccc(Cl)cc3",-11.67986396177972],["▁O=C(N1CCCCC1)",-11.680051700733609],["c2cc(O)ccc2[nH]1",-11.680217467054614],["OC(C1=NCCN1)C",-11.680341018370491],["(CO[N+](=O)[O-])",-11.680481674404822],["c2c(ccc(O)c2O)",-11.680488421453074],["ccc2C(F)(F)F)CC1",-11.680596687120705],["c3)cn12",-11.68065009474538],["▁N=c1cc",-11.680679351459228],["cnn3c2)",-11.680708729950297],["(c(C)c1O)CCC(C)(",-11.680711846749038],["N2C(=O)CCC2=O)",-11.68072403789706],["cc(F)c(F)c(F)c1",-11.680887145499971],["c(CO)c1-",-11.680950771998042],["(C(=O)N=C(N)N)",-11.681117256203196],["c4n(",-11.681260856398126],["▁CCCC(C)NC(=O)",-11.681283551760982],["C4CNC",-11.681342599892275],["c2c1oc1c",-11.681494246060256],["▁Oc1c2c(nn1",-11.681560564932877],["▁C=CCN(C",-11.681599281067594],["n(CC)c(=O)",-11.681731169923946],["3CCOCC3)c2)",-11.681753820793324],["n1nnnc1N",-11.681875264498084],["▁CCCn1c(=O)c2n",-11.682042364463168],["c2)nc2ccccc12",-11.68214200090363],["n(-c4ccccc4)",-11.68215842579247],["CCCCC2CCCCC2)",-11.68215994825652],["Cc3ccccc3)C2)c1",-11.682232636548395],["c(F)c3)n2)",-11.682365426692977],["N(C4CCCCC4)CC3)",-11.68238435033354],["2[nH]cc(CCN)c2c1",-11.682448145415297],["▁CCOc1ccc(N(C",-11.682517490650737],["Oc1ncccc1CNC(=O)",-11.682519777563668],["c(O)c1C/C=C(\\C)C",-11.68253733201927],["[C@@H](O)CC[C@@]",-11.682811795427064],["cc2-c2ccccc2)cc1",-11.682882687730835],["n2cncc2",-11.683005082957823],["▁CSc1ccc(/C=C/",-11.683026189450162],["(CCN2CCCCC2)",-11.683116845733636],["c2c(cnn2C",-11.68316834409632],["CC2CCCCN2)",-11.683196842141092],["(-c3ccc(F)cc3F)c",-11.683207854508511],["▁C[n+]1c(-c2ccc(",-11.68321485632141],["▁Cn1cnc(-c2cc",-11.683466149447142],["▁Cc1cc(C)nc(S",-11.683507270200606],["(OCC)OCC",-11.683622343763393],["▁CCc1nnc(-c2ccc",-11.68364044953727],["▁CCc1nc(C2CCCN2",-11.683675394860812],["[BH2-]C#N",-11.683743327395907],["▁CC[N+]1(CC)CCN(",-11.683743971367647],["c3no[n+]([O-])c3",-11.683771480864822],["Cc2ccc(CO)cc2)O1",-11.683842466538843],["▁C/C(=N\\OCC(=O)O",-11.68393470998323],["[P+](c1ccccc1)(",-11.683962574784225],["(NN)",-11.683987437690709],["C1CCOc2ncccc21",-11.6840122433333],["N2CCN=C12",-11.684159803462045],["oc2-",-11.684166448946735],["2CC3CC(C2)CC1C3)",-11.684196990071904],["nc4ccccn34)",-11.684200437069103],["▁CCC1(O)C(=O)OC",-11.684354565938492],["(CO)O[C@H]1n1c",-11.684410202445974],["▁O=C1N(c2ccccc2)",-11.684452690782448],["c1ccc(C2COC(c3c(",-11.68446157059054],["(O)[C@H]1F",-11.684647863240023],["▁CN1C2CC[C@@H]1C",-11.684660762979284],["c3c2)ccc1O",-11.684738656633504],["(Br)cc2)n1",-11.684892696802471],["▁O=c1c2cn[nH]c2",-11.684900928752285],["nc2c(F)cccc2c1",-11.684930124720056],["▁O=C(CN1C(=O)C2",-11.684946476852785],["=O)c1c(O)cccc1C2",-11.684964738763682],["▁CN(CC#CCN1CCCC1",-11.684976346351396],["▁CN1C[C@H]2CN(",-11.685018634062017],["CSc1nc[nH]n1)N",-11.685055359016436],["Nc2ncnc3c2C",-11.685064093070215],["Nc2ccc3ncc(-c4c",-11.685166684452598],["(Cl)c(Cl)c2)CCC1",-11.685232008261496],["CCNCc1ccc(-",-11.685281364580526],["c4c(c23)",-11.68534470969573],["▁COc1c2occc2c",-11.685562455947196],["▁CCOC(=O)Nc1cc(N",-11.685576084279791],["▁CCCCn1c(N)c(",-11.685658758574032],["c(=O)c3c4c(sc3",-11.685663740617546],["c2cccc[n+]2C)",-11.68568277786029],["3CC(F)(F)C3)",-11.685733846807205],["c2cc3c(cc2o1)",-11.685795427044788],["n2sc3ncccc3c2=O)",-11.68580240235925],["c2cc3c(cc2N1",-11.685831524914748],["N1CCN(C(=S)N",-11.685842603617417],["▁CC1CCCCC12",-11.685851294531089],["(N2CCCCC2)CCCCC1",-11.685923210146983],["c3cccs3)nc12",-11.685958055042978],["▁Nc1ccn(C2C",-11.686039426931378],["Sc1nc(O)cc(C",-11.68610610839936],["ccc(F)c2",-11.686137544568467],["c(NC(C)C)n",-11.686158849372347],["CCC(C(C)(C)C)CC1",-11.68629362876348],["cc(-c3cn",-11.686368379769329],["C1(c2cccc(Cl)c2)",-11.686426749553316],["@H](C)O)[C@@H]12",-11.686445700329534],["F)cc2)c(-c2ccnc(",-11.68664935740254],["nc(N2CCC(C(=O)N",-11.686742701165045],["CN2CCC(CO)(C",-11.68674861668578],["cccn2c1N(C)C(=O)",-11.686793595200657],["c1ccc2c(c1)SC",-11.687006566377958],["C(C)C)CC2)cc1",-11.687025612539337],["(C#N)c(Cl)c2)",-11.687375084632318],["C[C@@H]32)C1",-11.687407077341796],["▁c1ccc(COc2ccc",-11.687506860952851],[")CC(C)(C)C",-11.687520617884244],["c1nccc(N2CCN(",-11.68752734078751],["▁Cc1ccc2nc(Cl)c(",-11.687568722279176],["C(=O)C2C)cc1",-11.687629909813277],["[C@]2(OC",-11.68766920194047],["c2nnc(N)s2)cc1",-11.687790313490265],["▁CCOC(=O)C1(N",-11.687851659782371],["c2cc(Cl)cnc2",-11.68785688891437],["12NC(Cc3ccccc31)",-11.687860402413612],["C)ccc3",-11.687875473086812],["▁Cc1cccc(NC(=S)",-11.687966364630912],["c(NC(=N)N)c",-11.688053134296554],["▁CC1CCCCC1N",-11.68805634575066],["(=O)n2c3ccccc3",-11.68808606431259],["c3ccn[nH]3)",-11.68817060080354],["c(-c3ccn[nH]3)",-11.688189309919585],["s2)c(OC)c1",-11.688224479098483],["c(-c2cccnc2F)",-11.688368549836447],["▁O=CN(O)C",-11.688381034880116],["(-c4ccc(Cl)cc4)",-11.688381348368791],["C2=CCCN(C)C2)n1",-11.688410153548013],["c(N3CCN(CC",-11.688465509772591],["▁Fc1ccc(Nc2nc",-11.688564489693864],["c3nc(C)ccc3",-11.68870587550098],["c2cn3c",-11.688732565950456],["cc1-c1noc(-c2ccc",-11.688844852316183],["[nH]n2)n1",-11.688875188193787],["[C@@H](CO)O2)s1",-11.68892552505284],["C2CCNCC2)n1",-11.688980280734178],["(-c2ccc(N)cc2)",-11.6890372478944],["Oc1ccc(-c2nc(CNC",-11.68941163775036],["▁COCC1CN(C(=O)",-11.689415014776042],["N2CC[C@@H](O)C2)",-11.68945839607436],["▁CC(Nc1nc",-11.689473185166952],["c1nccc(-c2c[nH]",-11.689537101778177],["▁CCN(C(C)=O)",-11.689648274371532],["c1nnc2ccc(-c3ccc",-11.689670133330647],["nc(CC)",-11.68970652971399],["C1=NN(C(C)=O)",-11.68972040985203],["(-c3ccc(OC)cc3)n",-11.689741005208948],["▁Cc1nonc1NC(=O)",-11.689817022029992],["C1CCOC1)",-11.689833437335793],["C3CN4CCC3CC4)",-11.689909971685172],["2CCN(CCO)CC2)cc1",-11.68999755014152],["C(N)=C(C#N)C1",-11.690086060731502],["▁CCC(O)C",-11.690087387544866],["n3cnc4ccccc43)",-11.69010161063125],["c3cc(Cl)ccc3C)",-11.69027864936017],["▁O=C1ON=C(",-11.69078979807535],["▁COc1ccc(C2CCCN2",-11.69081364314798],["(=O)N(O)CCC(=O)O",-11.69085887196077],["c1cccc2c1CCC2",-11.690913217800764],["n3c(C)c",-11.690944770966755],["N3CCOC3=O)",-11.690948153384255],["c1nc(C)cc(C)n1",-11.691137828507758],["c3)cc2c1",-11.691180708019475],["c1ncnc2[nH]ncc12",-11.691318460248867],["nc(-c2ccncn2)c",-11.6913843072255],["▁Cc1ccc(Cn2c(",-11.691464030712195],["▁c1ccc2c(c1)ccc1",-11.69152538276884],["CSc1nnnn1-c1ccc",-11.69155320573073],["c(NCc3ccccc3)n2",-11.691558781368876],["C12CCNCC2",-11.69167166813107],["c2ccc(=O)n(C)c2)",-11.691823058794556],["▁CNC(=O)Oc1ccc",-11.69184341412666],["▁CCC(C)(C)c1ccc(",-11.691878836499075],["/C=C1\\C=C",-11.691903558133196],["[C@@H]1O[C@H](CS",-11.691994657077414],["N1C(=O)S/C(=C\\",-11.691996751392564],["-c3cncnc3)c",-11.69203887382744],["cc(Br)c12",-11.692076109262018],["▁Cc1ccc(-n2nnc(",-11.692116533944883],["c(C)c1CC(=O)O",-11.692128489118126],["C4)n3)",-11.692220403223798],["▁O=C1CCC(C(=O)N",-11.69223208455973],["(-c2cc3ccccc3o2)",-11.69230683704868],["▁COc1ccc(-c2cn3c",-11.69232027562493],["▁CC1(C)OC(=O)N(",-11.692410703121642],["3C[C@@H]4C[C@H]3",-11.692495071495914],["[C@@H]2CC[C@H]3O",-11.692608087737508],["OC2(O",-11.692825318709694],["▁N[C@@H](C(=O)N",-11.69285819292682],["▁c1cncc(OC",-11.692959497970923],["N1CCN(C(=O)CO",-11.693125342653737],["CCCSc1nsnc1",-11.693191593168612],["▁Fc1cc(Cl)ccc1",-11.693312115413317],["▁CCCCCCn1c",-11.693410128114182],["c2cccc(SC)c2)",-11.693421577640834],["c(-c3ccccn3)nn2)",-11.693486044988628],["▁C=C(C)Cn1c(",-11.693502727215826],["N(C)C2=O)",-11.693521205590654],["2CC(C)OC(C)C2)",-11.693583026382242],["c3sccc32)cc1",-11.693667980750597],["c2nc(N)sc2",-11.693754129245136],["NC(=O)C2CCCN2",-11.693775447637178],["N(CCC)c1cc(C)nc2",-11.693835260364924],["2ccccc2cc1C(=O)N",-11.693973645089132],["c1ccc(/C=C2\\SC(N",-11.6940337338517],["C[C@@H]1C1CC1",-11.69408585555922],["▁O=C(CN1C(=O)NC",-11.694283682286969],["/N=C/c2ccncc2)",-11.69428608014565],["n2cnnc2)c1",-11.694293320793676],["▁Clc1ccc(/C=C/",-11.694413905789697],["cc23)=Nc2ccccc21",-11.694427264272736],["▁COc1cc(N2C(=O)",-11.694474777905665],["c2ccc3ccc(C)nc3",-11.69449222297532],["-c3cccnc3)n2)cc1",-11.694711583073865],["c2cc(F)ccc2O1",-11.694724829531822],["C4C5",-11.694729948125415],["N1CCC(N2CCN(",-11.694849645164314],["▁CCOCn1c(",-11.694895349631723],["/C=C/C(=O)c2ccc(",-11.694956723156968],["c2nc(C)cc(O)n2)",-11.695022620381298],["NC4=O)c2nc1NC",-11.695316360637168],["▁N#CCCn1cc(",-11.69536866405938],["c2cc(C)c(C)cc21",-11.695390121375985],["(O)c(O)c2)oc2c",-11.695417336770843],["c3ccccc3)C2=O)c1",-11.69542033082838],["2c(/C=C3/C(=O)N",-11.69548577948735],["▁OC1CCN(C",-11.695509427663575],["CCC1=CCOC1=O",-11.695740379324333],["C(CC)(CC(=O)O)",-11.69576918959481],["c1c(F)cccc1F)N",-11.695801865917002],["▁Cc1cc(C)c(Oc2cc",-11.695811690180609],["▁O=S1(=O)NC(",-11.69582170716483],["Cc1cn2ccccc2n1",-11.695858257875786],["2c(c1)B(O)OC2)",-11.695881613417658],["c2ccccc2)n2n",-11.69619533018774],["nc3[nH]2)c1",-11.696247474521815],["▁O=C(NC1CC(=O)N(",-11.696264586124164],[")N(Cc1ccco1)",-11.696287642726231],["▁Brc1ccc(N",-11.696287825973448],["/C(Cc1ccccc1)=N\\",-11.696290493902753],["CC2)c2ccccc2n1",-11.696340004964805],["c2c(C)cccc21",-11.696374642086385],["C1=C(Br)C(=O)",-11.696453749349711],["c1ccc(N2CCCC",-11.696487125118546],["c2ccc(CN(C)C)",-11.69671320287566],["▁Nc1cccc(-c2cc",-11.696719768525927],["c2ccnnc2)",-11.696787964004],["[nH]2)ccc1O",-11.696867192450616],["Nc1cc2[nH]nc(OC",-11.696906197834137],["▁Nc1nc(N)c2c(OC",-11.696914138830136],["c1ccc2[nH]nc(",-11.696925885864484],["(-c2cccc(O)c2)",-11.696982242536745],["3)cc2)cn1",-11.697056598866467],["c(-c2ccccc2)nc1N",-11.697089727812584],["CCC3)C1",-11.697102883056246],["[C@H]3OCC[C@H]3",-11.697202601792142],["cc5c(c",-11.697277702496542],["N1CCC2(C=C",-11.697280213067046],["CN1CCC(c2cc",-11.697428339330584],["[C@@H]2CCN3C(=O)",-11.69749783256613],["3CCCC[C@@H]3",-11.69753091792681],["CN(Cc1ccccn1)C",-11.697568474477285],["C2CCOCC2)CC1",-11.697639050162252],["CC2COC",-11.697708632290183],["2CCC[C@@H](N)C2)",-11.697774058820212],["▁C[C@H](NC(=O)N",-11.697803564489504],["▁Oc1c(Cl)cc(Cl)c",-11.697915369465443],["▁COC(=O)C1C2CCC(",-11.698073326748728],["c(OCCN3CCOCC3)",-11.698183379313411],["C2CCCCN2)",-11.698191250795352],["CCN1C2=O",-11.698283864258892],["c2cc3ccc(C)cc3n",-11.69838979533671],["▁O=C1CCC(=O)N1C",-11.698405372019518],["CN1Cc2cccc",-11.698433810751627],[")C(=O)NCC(N)=O",-11.698525916065384],["/C=C1\\NCCN1C",-11.698534419713498],["c3ccc(C)c(C)c3",-11.698543637972277],["C23CCCCC2",-11.698547889256542],["4CCCCO4)",-11.698605376133536],["NC(=O)C2CC(=O)N",-11.69866313537051],["c1ccc(C#Cc2ccc(",-11.698739256741415],["nc(SCc2ccc",-11.6988251350218],["C3CC3)CC2)c1",-11.69884898801692],["Cc2sccc2C2(CCN(C",-11.698914844623314],["CCCN1CCC(C",-11.698950556845116],["Nc2nc(C(N)C",-11.698981238980052],["c(-c3cscn3)",-11.69898513670694],["c2cc(O)ccc2O)cc1",-11.698986397665148],["CCS(=O)(=O)C1",-11.699120363433437],["c2O)CC1",-11.699188491931324],["[C@@H]3CC[C@H]4N",-11.699195108200776],["(-c4ccc(Cl)cc4)c",-11.699202323186704],["▁Cc1cc(C(N)=O)",-11.699233717609031],["c3ncnc4c3",-11.699234975960367],["c1cccc(/C=C/c2cc",-11.69940955280356],["c4c(c3)OCO4)cc12",-11.699618454367489],["(CCC(=O)OC)",-11.699664936931844],["n(-c4ccccc4)c3",-11.699686103448045],[")c1cc2ccccc2s1",-11.69980055572349],["NCCCNCCCCNCCCN",-11.699895494583892],["C(Cc1cccs1)",-11.700042640910343],["C#Cc2ccc3c(c2)",-11.70011407007487],["ccc2NC1=O",-11.700150537029874],["NC[C@H]2C",-11.700160848195384],["▁Cl.Oc1cccc(",-11.70018318660007],["N=C2C)cc1",-11.700201960906568],["c(C)c2C)cc1",-11.7002145079214],["N1CCC[C@H]1B(O)O",-11.70061646151498],["c2cc(C)ccc2O)",-11.700910353165984],["C(=O)NCCN1CCOCC1",-11.700963697409843],["▁Cc1nc(CN2CCN(",-11.70098635083104],["O)(P(=O)([O-])O)",-11.701113944274866],["C1CCCN(Cc2ccc",-11.701166427504251],["n1cnc2c(N)n",-11.70120174299142],["C(CO)C(O)C1O",-11.701253070205915],["C(N1CCCCC1)",-11.701327065030014],["c(NCCN3CCOCC3)n",-11.701328334375248],["c1nc(N)nc(N)c1",-11.70136691998613],["c2ccc(Oc3cc",-11.701413951823564],["C(=O)N1CC=C(",-11.701492770867324],["(Nc2cccnc2)",-11.701790916815836],["csc2c1=O",-11.701792312701729],["▁Cl.c1ccc(-",-11.701980069253787],["▁Cn1nnnc1",-11.702160837143522],["▁CC(C)(C)c1csc(N",-11.702173240989634],["C3CCCC3)CC2)cc1",-11.7021968634998],["@H](O)[C@@]1(C)O",-11.702233180487852],["Cl)NCC",-11.702265653515362],["▁O=C(O)COc1c",-11.702278298626624],["▁O=C(NO)c1ccc(C",-11.702334146697051],["c3cc(N(C)C)ccc3",-11.70233818360282],["nc(Nc3ccccc3)nc2",-11.702421161473737],["▁Cc1ccc2nc3",-11.70242151634694],["NC(=O)C2CSC",-11.702458450355053],["NC(=O)C1CCC1",-11.70249256557798],["-c2ccccc2)c1=O",-11.702658429905128],["CCCCOc1c(OC)cc",-11.702673411697887],["▁COCc1c(C(=O)N",-11.70268572479196],["nc(-c2ccc(C)cc2)",-11.702746468516375],["[C@H]3CCNC3)",-11.70279165438332],["c1ccc(Cl)c(F)c1)",-11.70282832840633],["▁COCCN1CCN(",-11.702997452038046],["CCn2c(C)c",-11.70300676709741],["▁CCC(CC)(NC(=O)",-11.703034970932794],["▁CO/N=C(\\C#N)",-11.703174243202971],["▁Cc1cc(CCCCCOc2c",-11.703469802096144],["2CCN(CC(O)",-11.703480813702608],["sc2nc3c(cc12)CCC",-11.703520493275873],["▁COCC(=O)N(",-11.703633087794955],["C2(C)C1",-11.703639366619967],["▁O=C(Nc1sc2c(c1",-11.703681405936338],["c2n[nH]c3nc",-11.703704379180405],["c(OCc4ccccc4)cc3",-11.703724884178207],["c1nc(Cl)nc(N",-11.703779083681551],["[C@@H](C3)",-11.7038163190783],["C=C/c2ccccc2)",-11.70383942979971],["2c(c(OC)c1OC)C(",-11.703871811892071],["cnn4",-11.703916392382151],["c2c(c3c1",-11.704121328740184],["N1C(=O)/C(=C2/",-11.704193893684993],["▁Nc1nc(Nc2ccc",-11.704207943934376],["▁Cc1cc(C)[n+](C",-11.704324642866936],["C2=NN=C(N",-11.70433252606372],["c(-c2nn(C)c(=O)",-11.704377261474978],["c(C2=CCNCC2)",-11.704458339384406],["SCCS2",-11.704461826793048],["n3c(-c4ccccc4)n",-11.704553678416726],["▁CC(OC(=O)c1cc",-11.70478417483234],["c2cc3c(=O)n(C)",-11.704962707031576],["O[C@H]1CO[C@@H]2",-11.70496455065292],["n(CCN3CCOCC3)",-11.704972158558732],["c1nc(N)c2ncn(",-11.704976327294805],["▁Clc1ccc(-n2c",-11.704977848952716],["▁c1ccc(Nc2nc",-11.70502740247906],["=C1C(=O)OC",-11.70508037725748],["(O)c(CN2CCCC2)c1",-11.705112568754428],["c1c(CC)n",-11.705238504819391],["NC(=O)CN1CCC(",-11.705287436303031],["c1ccc(OC)c(Cl)c1",-11.705303250140489],["4)[C@H]3C2=O)cc1",-11.70548785732662],["▁C[C@@H]1[C@@H]",-11.705489398804726],["[nH]c2cc1F",-11.70549283673562],["c[n+](C)c3",-11.705514918693463],["(/C=C/c3ccccc3)n",-11.70554341761306],["n(C)c3nc12",-11.705559463728305],["/C=C/c2ccccc2)C1",-11.705597457670253],["/C(=N/NC(=S)N",-11.70566587951198],["▁Cc1cc(=O)n(",-11.705684821613191],["▁CO[C@H]1CN(",-11.705739707136155],["(CSC(=N)N)",-11.705756628178616],["▁c1coc(C",-11.705766078840838],["cc2[nH]ncc12",-11.705825188972131],["c(Br)cn2",-11.705927188331264],["2c(c(OC)c1OC)-c1",-11.705930452698247],["c(N2CCc3ncnc(NC",-11.705936559055427],["C23CCN(C",-11.7059673124247],["S(=O)O",-11.706031612558425],["▁C=CCc1ccccc1OC",-11.706036899789042],["[C@@H]1c2ccccc2C",-11.70626263252078],["c2c(=O)o1",-11.706383238598283],["c1sccc1-",-11.706400798316384],["N2C(=O)OC[C@@H]2",-11.706453370281572],["c(-c3cc(C)no3)",-11.706534812587131],["▁c1cc(-c2cc",-11.70653533347208],["C1Cc2ccccc2N(",-11.706622173643146],["C2(COCCN(",-11.70672941743825],["Nc1nc(NC(C)C)nc(",-11.70677676522416],["c(C(=O)NC)c",-11.706782150527006],["/C=C/CN(C)Cc2ccc",-11.706856437266886],["Cc2c(Cl)c(O)c",-11.706896167565205],["▁OC(CN1CCN(",-11.706930634491474],["▁COc1cc2ccccc2c",-11.706953953462705],["▁COc1cc(CN(C)",-11.707059754864392],["c4cccc(C(N)=O)c4",-11.70729108956906],["c2sccc2C#N)",-11.7074620305088],["▁CCc1ccc(-n2",-11.707480344108449],["n3)C2)c1",-11.70752148160934],["▁O=C(O)Cn1c(=O)c",-11.707540854024026],["▁NC(N)=NCCC",-11.7075931175233],["▁CC1=NN(C(=O)C",-11.707625900896666],["▁Cn1ccc2cc(",-11.707651338839923],["N2C(=O)[C@@H](N",-11.707733563721268],["C(CO)(COC(=O)",-11.707743816614204],["▁CC1(C)[C@@H](O)",-11.707762559469767],["▁NC(=O)c1cncc(O",-11.707803960001131],["[C@@H](CC[C@H]4",-11.70788181178339],["/N=C1\\CCCN1",-11.707889066209331],["c(C#N)c(O",-11.707946432411962],["nc2-3)cc1",-11.707996332729143],["CN1CC[C@]2(C)",-11.708222927915708],["[C@@H](N)CN1",-11.708231154206736],["C1c2ccccc2CC",-11.708320876067347],["▁O=C1Nc2c(cc",-11.708400899547222],["NC(=O)/C(=C/c2cc",-11.708878647952934],["▁Cc1cc(Oc2ncc",-11.709169318155311],["c(-c2ncnc3[nH]cc",-11.709363722344795],["N1CCCC(C)C1",-11.709380672215794],["Z",-11.709384353036851],["N3CN(CN(C3)C1)C2",-11.709384353862902],["c2c(c1)CNC(CF)C2",-11.709386075469148],["NC(=O)c1cnc(C2CC",-11.709386239229296],["n3nc(N)nc3N2)c",-11.70938746194934],["3CCN(C4CCC4)CC3)",-11.70939043413997],["C1(C)SC(O)=C(C",-11.709390720204995],["[C@@H](OCCCCO)O1",-11.709395640690666],["C(=O)/C(=C(/CC)N",-11.709403413292312],["c(F)c(F)cc(F)c1F",-11.70941666199866],["▁CCCCCN(CCCCC)",-11.709425839414148],["▁[O-][N+]1=",-11.70943838413996],["3)on1",-11.709438531623354],["2CCN3Cc4cc5c(cc4",-11.709451675132314],["Sc1nc(N2CCOCC2)",-11.709461258854216],["▁C/N=C(\\NC)",-11.709518441352536],["/C=C/C(=O)CC(=O)",-11.709529959551286],["c2ccco2)o1",-11.709562937193985],["oc2cc(O)ccc2c1=O",-11.709571130496563],["n2cnc3c(N(C)C)nc",-11.709591229913688],["▁Cc1ccc(OCC(O)C",-11.70964959560262],["nc2ccc(Br)cn12",-11.70972356620478],["2)CCN4C(=O)CC3)",-11.709734583171535],["C1CN(S(=O)(=O)",-11.70989276427683],["O2)c(=O)[nH]1",-11.709930697256802],["[C@H]3CCCNC3)",-11.710038278401456],["c(C)[nH]c2c1",-11.71003929254603],["▁O=C(Nc1ccncc1)N",-11.710056228514407],["n2cnc3c(Cl)nc",-11.71007285692913],["4nc[nH]c4c3)no2)",-11.710165145457244],["▁O=P(O)(",-11.710396116152182],["N1CCC(C(=O)O)CC1",-11.710439307911583],["c2ccc3snnc3c2)",-11.71043953190321],["cc(-c2cccc(Nc3nc",-11.710450322614438],["CN3CCC[C@@H](CN1",-11.710460660224992],["C(C)(CO)",-11.71046317517894],["CN(Cc3cccnc3)C",-11.710480970512425],["c1noc2c1CCCC2",-11.710503460795652],["▁COc1ccc(Oc2cc",-11.710523205776706],["▁COc1ccc2c(C)c",-11.71053380570022],["C2(CO1)",-11.710536698193955],["NC(=O)CCl",-11.710540051080002],["CN(C)CC[C@@H]1",-11.7105427514429],["c1nc(C#N)ncc1",-11.710592824153824],["Oc2ccc(-c3c",-11.710652543807807],["▁O=C(NN1CCOCC1)",-11.710705627363328],["c3ccccc3c(=O)n2-",-11.710860938765224],["▁N#Cc1c(O)nc(SC",-11.710978348381635],["n1-c1cccnc1",-11.711072756349555],["(CCN2CCOCC2)",-11.71112079048952],["-c2ccc(O)c(F)c2)",-11.711135916660613],["c(C#N)cc2)cc1",-11.711155511677235],["/C(=C\\c1cccs1)",-11.711162244111552],["▁N#C[Se]C",-11.711256140828011],["(C(=O)NC)",-11.711290343146745],["CCN2S(C)(=O)=O",-11.711398903124785],["c1ccc2c(c1O)C(",-11.711483228791192],["N3CCCC3)ccc2",-11.711500920691664],["CCCCC1CCCCC1",-11.711540937983534],["c2nc(N)nc(O)c21",-11.711578777978016],["c3cc4n(",-11.711588020468447],["CCN2C1",-11.711594858504744],["c3)ccc12",-11.711607948163842],["▁Cc1csc(-c2c",-11.711608758869982],["▁CC(C)(Oc1ccc(C",-11.711683154158022],["▁Cc1ccccc1-c1nn",-11.711687409091995],["▁Cc1ccc(-c2nc(N)",-11.71170810121276],["c(C(F)(F)F)cc21",-11.711721618313074],["SC(=S)NC2=O)",-11.71172417783884],["nc(-c3ccncc3)o2)",-11.71179568276839],["▁CC1CN(C)",-11.71184948841207],["▁Cn1cc(/C=C/",-11.71191470950414],["-c2ncccc2",-11.71195101745421],["C2C3CCC(C3)C2",-11.711997356679529],["nc(N2CCOCC2)",-11.712045782235393],["▁O=c1cccc2n1C",-11.712083534879875],["c(=O)c3cc2",-11.712182720612777],["c3cc4ccccc4s3)",-11.712267351288844],["N2CCN(C/C=C/",-11.712270734678622],["ncc1-c1cc",-11.712409583435614],["Oc1ccc(C#Cc2ccc(",-11.71249359793217],["[C@H]2[C@@H]3C=C",-11.712550568365788],["CCC(C)(C)C1/C=C/",-11.71274907389011],["c(C(N)=O)cccc12)",-11.712791523579291],["N)cc2)cc1",-11.712791842615704],["[C@H](COC(N)=O)",-11.712799772171262],["▁C/C(=N\\OCC(O)CN",-11.712889300337585],["/N=C/c3ccco3)",-11.71292483640277],["▁Clc1ccccc1OC",-11.71302007593853],["c1ccc(C#N)cn1",-11.713157617800023],["c(NC3=NCCN3)c",-11.713193961102228],["c2cc(F)ccc2C)",-11.71328014908614],["C3C2=O)cc1",-11.713319147812715],["c1ccc(Nc2nc(Cl)",-11.713469011853345],["C(c1cccc(O)c1)",-11.713489710405996],["2nc(O)ccc2c1",-11.713556643414323],["▁O=c1oc2cc(O)cc",-11.713703640828395],["c1c(C)n(C)c2ccc(",-11.71377498641638],["C(=O)NCCNCC(O)CO",-11.713852242883435],["▁CN(C)C[C@H]1C",-11.713889122247483],["CN(CCc2ccccc2)C",-11.714032292382308],["n2ccnc2C)",-11.714206862360594],["▁COc1cc2ncnc(",-11.71434094245198],["CC2)co1",-11.714447491437854],["c1cc(-n2cccn2)",-11.714464387328327],["C(=O)N(c1cc",-11.714561896727329],["c2ccc3nncn3n2)",-11.714598387696102],[")C=CC(C)(C)O2",-11.714643429770366],["▁Clc1cc(N",-11.714704867352925],["c3c(C)n[nH]c3C)",-11.714852096531263],["c1c[nH]c2c(N",-11.714920438494662],["[C@H]3CSC(N)=N",-11.714978376402875],["N1CCCCC1Cn1cccn1",-11.715004944645733],["c1nc(C#N)c(N",-11.715073675943378],["CN(CC1CC1)CC2",-11.715110047690397],["CC[C@H](NC(=O)OC",-11.715151102325589],["Cn2ccnn2)",-11.715168189030113],["c1ncnc2c1ncn2C1O",-11.715308939072123],["c2ccc(/C=C/C(=O)",-11.715579575502233],["C1CCCCNC1=O",-11.715634370976554],["c1c(N)n(C)c(=O)",-11.715759631944875],["c1ncnc(N)c1",-11.715773122050503],["▁Nc1nnc(SCC(=O)N",-11.715794415346076],["▁CCn1c(CO",-11.715801375677028],["c4cnccc34)",-11.716090456093871],["(=C1\\C",-11.716112266922003],["1CCC[C@H]1B(O)O",-11.71621623556679],["▁O=C(CCCN1CC",-11.716337078873988],["C(C(=O)O)=C[C@H]",-11.71634734310539],["Cc1c-2[nH]c2cc",-11.716468561705923],["c(C)nn1-c1ccccc1",-11.71652655268328],["▁COC(=O)c1sc2cc(",-11.716599954990985],["NC=O)cc1",-11.716620328830183],["▁[O-][n+]1c",-11.71664674868528],["▁CCCCCCC(O)",-11.716662324696214],["c2ccc(CNCC",-11.716670111163484],["N1CC(c2n",-11.71673872988383],["N(C)C(=S)",-11.71686775095676],["c(Nc2nc(N)nc(C",-11.716950947490922],["c3[nH]cnc3n2)cc1",-11.71700747344982],["▁N#Cc1cccc(-c2cc",-11.717033838546966],["c2cccs2)cc1OC",-11.71717017968507],["c2ccn(C)c(=O)c2)",-11.71724889646194],["c3ccccc3C21",-11.717295946054394],["(C3CCCNC3)",-11.717301385697736],["2oc(=O)cc(C)c2",-11.717331198877073],["c(C)n4n3)",-11.717347434606642],["▁CO/N=C1\\C",-11.717401171018055],["▁Cl.O=C(O)CC",-11.717467132205565],["NC(=O)c1ccccc1OC",-11.717635141508474],["N1Cc2cccc(C(=O)N",-11.71775415479842],["▁COCCCn1c",-11.717827473588212],["▁COP(=O)(OC)O",-11.717837185503257],["N1CCOc2ccccc21",-11.718034474657928],["c1cc(NC(=O)/C=C/",-11.718038216646514],["N2CCC3(CC2)OCC",-11.718066610202229],["(Cl)cc2)nn1",-11.71806950846146],["C(=O)N1CCN1CCN(",-11.718194042206283],["nc2c3ccccc3n(C",-11.718208968684916],["C[n+]2cccc(",-11.718232280272352],["▁CCCCCn1c(C",-11.718324370130023],["2C3CCN(CC3)",-11.718403175201372],["CN1CC[C@@]2(C)",-11.71841316253974],["(N=C=S)",-11.718459497528755],["/C1=C/c1ccc(-",-11.71846293210298],["c3c2-c2ccccc2",-11.718555020247347],["n3)cc2)c1",-11.718555376691835],["[C@@]23C=C",-11.71862833448399],["c3nc(-c4cccs4)",-11.718814534236069],["c2cnc(N)nc2",-11.718837195339184],["c(-c2nnc3s",-11.718853841242916],["▁Cc1ccncc1-",-11.718996873304851],["N2CC[N+]3(CCCC",-11.719054914549336],["ccccc2C3=O)",-11.71909024537476],["[N+](C)=",-11.719187846274822],["c1ccc(CO)o1",-11.719338338281704],["C3=NCCO3)",-11.719363476980536],["c(C(=N)N)nc3)",-11.719400026728598],["[nH]c3ccccc32)c(",-11.719417716075082],["c2c(O)nc(N)nc2",-11.719441656854167],["▁c1cnc(O",-11.719602440233048],["▁O=Cc1ccc(-c2cc",-11.719631869434366],["CN2C3CCC2",-11.719653699679547],["[nH]c2cc(Cl)c(-",-11.719889285162832],["▁CCc1cccc(OC",-11.719960745078954],["c(Cc3ccccc3)n2",-11.720014131423202],["n2nc(-c3cccs3)",-11.720150419354528],["NC(=N)NCC",-11.7201701093712],["CCN2CCNCC2)",-11.720237489665418],["c3cc(C)ccn3)",-11.720239798146569],["nnc1-c1cnccn1",-11.72025826307708],["▁NC(=S)N/N=C(\\",-11.720308259751755],["c2cc3c(cc2[nH]1)",-11.720343271424497],["[C@@H](CSC",-11.720413562366248],["O)[nH]n2)cc1",-11.72041967700756],["C2(Cl)Cl)",-11.720478335921031],["O/N=C1\\C",-11.720515995338667],["▁CC(C(=O)N1CCN(",-11.720577444332648],["N2CCCNCC2)",-11.72063085647394],["[C@@H](C(=O)O)N1",-11.720665337827173],["cc(C)nc23)cc1",-11.720690298914995],["C1=NN=C(",-11.720719744294724],["N3CCC(C(=O)N",-11.720748181054258],["CCC(=O)NCCO",-11.720813949553104],["3)C2=O)c1",-11.720838133777916],["▁Cc1nnc(NC(=O)CS",-11.720884076578814],["▁N=C(NCc1ccccc1)",-11.72090933640002],["OC(=O)CC2",-11.721070471436718],["CNC(=O)c1cnn(C",-11.721119682250023],["C(=O)c1ccccc1-3",-11.721282114576097],["c2nc(C(F)(F)F)n",-11.72135280566766],["c1ccccc1)n1c",-11.721412742383208],["c2c(nc3ccccc13)C",-11.721447878276244],["/C=N/N=C(N)N)",-11.72147425702392],["▁Oc1c(C(",-11.721495565258016],["▁CC1CCC2(CC1)",-11.72150473076796],["NC(=O)c1nnn(",-11.721562381473912],["N2CC[C@@H](",-11.721574876587374],["▁Cc1[nH]cnc1CSCC",-11.72167793873782],["CC[C@H]1O2",-11.721865612096142],["-c1ccccc1-2",-11.72187719899734],["c2cccc(C)c2C)CC1",-11.72205508744451],["CCC3=CCCCC3)",-11.722088949968626],["c1ccc(OC)c(O)c1)",-11.722165064041148],["cc(N2C[C@H](CN",-11.722184283428009],["▁Cc1c(O)nc(S",-11.722268671366756],["▁CC(C)OCCCN",-11.722293669266652],["CCCOc1ccc2[nH]c",-11.7224900510752],["nn3)ccc2",-11.722541345568663],["c1ncn2c1CN(C)",-11.7225458354674],["▁O[C@H]1CC[C@H](",-11.72256380575394],[")Nc1ccc(Cl)cc1Cl",-11.722622250109524],["c2cc(F)ccc2n1C",-11.722759404321424],["n3nnnc3",-11.722843208715425],["c1ccc(O)cc1)C2=O",-11.722872869045812],["▁N#C[C@H]1CCCC",-11.72290317311244],["CN2CCCC(C)C2)",-11.722995697444146],["c(-c3ccncn3)",-11.723001427378488],["N3CCCN(C)CC3)",-11.723062818970613],["OC(C)(C)OC2=O)",-11.723075300112187],["([N+](=O)[O-])c(",-11.723132745161193],["cc(N(C)",-11.723219448596176],["N3CCCC3C2)cc1",-11.723292867896276],["c1c(F)cc(F)cc1",-11.723438230824664],["▁Cc1sc2ncnc(SC",-11.723523711133096],["-3)n1",-11.723566852256049],["OC(C)(C)C)C(=O)O",-11.7236264086479],["[C@H]1C(=O)N(",-11.72369304368651],["▁ClC(Cl)(Cl)",-11.723735742658503],["c2[nH]c(Cl)nc2",-11.723817461444172],["c(F)c(N)c",-11.723845456014256],["(C(F)(F)F)cc3Cl)",-11.723891814528022],["N2CCCCC2)nc1",-11.723916710612116],["c1cnc(-c2ccccc2)",-11.723922270777642],["N(CC(C)C)CC(C)C)",-11.72412318439304],["N3CC4",-11.724158858335148],["▁O=C1CN(C(=O)CO",-11.72417973475175],["Sc1cccc[n+]1[O-]",-11.72422713344956],["n(C2CCN(",-11.724259573952718],["/C=C2/C=C",-11.724308392837466],["▁Cc1ccc2c(c1)-c1",-11.724325304298596],["c2ccccc2C(O)=C1",-11.724334823434669],["3c(c2)OCCO3)o1",-11.724342248514104],["ccc2nonc12",-11.724385403127783],["nc(O)c2ccccc2n1)",-11.724404759447658],["c1ccon1)c1ccccc1",-11.724431612982473],["2CC[C@H]1N2C",-11.724486645391751],["c(/C=C/C=O)c",-11.72465699298593],["(c2ccccc2)N2CCN(",-11.724670059519603],["c1cc(C)c(C)cc1",-11.724676540779983],["C3)cs1",-11.72482624666374],["C(C)(C)[C@@H]3CC",-11.72497612541765],["c(Cl)c3)CC2)",-11.72504027230661],["c(/C=N/n3cnnc3)",-11.72527547539517],["▁CCCCn1cc(C(=O)",-11.725282752420949],["▁CCn1cc(-c2cc",-11.725329072951304],["▁CCCCCCc1ccc(O",-11.725666888542834],["C(c2ccccc2)=NC1",-11.725671722538928],["c1sc2ccccc2c1O",-11.725712501307791],["▁N=c1n(C",-11.725804458029804],["CNC[C@H]1C2",-11.725839227011608],["Cn3cccc3)",-11.725858758526687],["▁Cn1cc(C2CCCN2",-11.72587155359222],["▁Cc1cc(O)ccc1-",-11.72601167011669],["c3ccc(N4C",-11.726069170639594],["▁Cc1noc([C@@H]2C",-11.726078754728636],["c2cccc(Oc3cc",-11.726080604817644],["▁Cc1nc(C#Cc2cnc",-11.726096272465528],["▁COc1ccc(C(=N)NO",-11.726096635703897],["C[C@@]3(C)C",-11.726289162208673],["(-c3cc4ccccc4s3)",-11.72629612609645],["c(-c3ccccc3)sc2",-11.726357504391444],["nc(-c3cccnc3)n2)",-11.726362768090636],["CC2)c[nH]1",-11.7264549995747],["/C(C)=C/CO",-11.7265976971564],["CCN3CC=C(",-11.72670209946955],["C(C)C)nc1",-11.726712146442162],["C2C(=O)NC(=O)N",-11.726764458851834],["▁N[C@@H]1C[C@H]1",-11.726921972001206],["▁O=C(O)/C=C/c1c",-11.726985710532285],["SC(C)=O)",-11.7270743827007],["▁CCn1c(-c2ccc",-11.727358712223474],["▁Cc1[nH]cnc1C",-11.727403367815969],["▁CNC[C@H](O)",-11.727403733082848],["▁CCCOc1ccc(-c2n",-11.727411522817752],["▁C[C@]12CCC(=O)C",-11.72743838221754],["n2)c(O)c1",-11.727439430557371],["▁Cc1oncc1C(=O)N",-11.72744634515901],["(-c2ccccc2)no1",-11.727460303738146],["c(C)c4)",-11.727544061887835],["c(C)nn3C)",-11.727669655084425],["▁CNc1nc(C)c(",-11.727686716092528],["▁CC1(c2ccccc2)CC",-11.7277337157115],["O2)c2ccccc21",-11.727802615522068],["▁CCCCc1c(C)n",-11.727902481047114],["c(-c3n[nH]c4cnc(",-11.72804891913315],["▁Cn1nc(C(=O)NC",-11.728075287188544],["n2nc(C)nc2C)",-11.728126544101954],["CN1C(=O)CCC1=O)N",-11.728179918483283],["c3c4c(ccc3",-11.728257435059456],["CC[C@@]2(C)C1=C",-11.728335157905446],["▁Nc1c2c(nc3c",-11.728349712714753],["c(N)c3cc2",-11.728435684169398],["NC1=NCCO1",-11.728440965967684],["=[Se]",-11.728491687949653],["▁Cc1ccc(CSC",-11.7288617336962],["c(-c2cscn2)",-11.728868754690206],["Nc2nc3c(s2)",-11.72898926747965],["C(C)(F)F)",-11.729016386695031],["NC(=O)c2cc3c(s2)",-11.729020680285537],["▁CCCNc1c",-11.729107352443036],["OC)CCN(C",-11.729108342285777],["[C@@H]2C[C@H]",-11.729234941385062],["▁C=C1[C@@H]2C",-11.72925581817922],[")c1ccno1",-11.729377083774567],["c2ncnc3ccccc23)",-11.72938981780398],["/C=C/P(=O)(O)O)",-11.729430695921412],["▁Fc1ccc(-c2",-11.729478343351612],["c4c(O)cc",-11.729489822266403],["c4ccccc4)C3)c",-11.729529381836468],["▁C#Cc1cccc(N",-11.72961045865862],["CSC1=N/C(=C\\",-11.72990490853654],["▁C=COC(=O)",-11.7299465001135],["▁CCCC(C(=O)",-11.730075044360404],["=C1c1ccc(O)cc1",-11.730082357920883],["c1[nH]c(C)",-11.73015800773762],["Cn2ccnc2)cn1",-11.730207496631596],["Cc1c(F)cccc1Cl)N",-11.73022949488212],["c3c(C)noc3C)c2)",-11.730297382369816],["cccc1C(=O)O",-11.730574113618388],["c2c(O)nc3ccccc3",-11.730616579426949],["cc3)nn2)cc1",-11.730626318028914],["4)cc3)nc12",-11.730668916382411],["nc(S)n1[C@H]1C",-11.730766331735762],["▁O=C(NO)c1ccc(CN",-11.730806124247614],["c2nc(C)c(C)s2)",-11.731060231079068],["CC2)ccc1F",-11.731081720648143],["CN1C(=O)CS/C1=N\\",-11.731106836154604],["(Br)c(O)c(Br)c1",-11.73115181553252],["c2cccc(C#N)c2)n1",-11.731172127770396],[")OCC(=O)c1ccccc1",-11.731246867986592],["c2cnc3[nH]ccc3c2",-11.73128763302118],["▁CC(=O)C1=C(C)",-11.73129426010042],["nc2sc3c(c12)CCCC",-11.731302943065382],["CSc2nnc3ccccn23)",-11.731313179867096],["c2)CCO1",-11.731350076620451],["2)c(OCC2CC2)n1)",-11.731355439674685],["CCN(Cc2c[nH]",-11.731416586218527],["▁CN(C)C(=S)S",-11.731431549652594],["c1ccncc1F)",-11.731554304020571],["CSC(=N)N)cc1",-11.73164747125272],["CCN(C2CCCCC2)CC1",-11.731669337192274],["OCC(O)CN1CCN(",-11.731690812335362],["(n2cc(C(N)=O)c",-11.73174087394539],["▁CCOc1cc2c(cc1",-11.731914662366831],["▁O=C(C1CCCN(C",-11.73192732920976],["CNc1ccc(C(=O)OCC",-11.732056150775096],["nc2n1CCCCC2",-11.73206900135207],["cn32)",-11.732121723054206],["sc(-c2cccs2)n1",-11.732240904905144],["▁N#Cc1cc(NC(=O)",-11.732319264203882],["c3ccccc3)CO2)cc1",-11.732322586767886],["▁O=C(CN1C(=O)CO",-11.73232713293588],["c1nc(C)cc(C)n1)",-11.73244801387095],["2c3c(cccc31)",-11.732507909458402],["c(/C=C2\\S/C(=N\\",-11.732610794213883],["COc1ccccc1C#N",-11.7326533231739],["▁CCn1nc(C)c2",-11.732784886549853],["c3cnc[nH]3)",-11.732803359360124],["c1nc(NC2CCCC2)",-11.732834101717092],["nc3ccc(Br)cc23)",-11.732848676009654],["/C1=N\\NC(=O)",-11.732888416282076],["C(C)N2C(=O)",-11.732908917313075],[")OCO4)cc1",-11.732918588336064],["N(CC1CCC1)",-11.732996276596976],["▁Cc1cc(C)c2c(C",-11.733073630049931],["c(NC(C)=O)c3)",-11.733239929660522],["CCCCCCCCCCCO",-11.733322544809765],["▁C[C@@H]1[C@@H]2",-11.733346978736565],["[nH]n2)C1",-11.73339519512217],["[C@H]2[C@]1(C)CC",-11.733442432221938],["-c2ccc(F)cc2)nc1",-11.73357082389381],["▁Cc1c(C(=O)O)c",-11.733598374184432],["2)ccc1=O",-11.73371866990143],["▁O=C1OC[C@H](",-11.733770873153336],["c(S(=O)(=O)O)c1",-11.733786425929374],["▁CCSc1ccc(",-11.733888419446457],["(=O)c3ccccc3oc12",-11.734026671470016],["Nc1nc(Cl)",-11.73413801559023],["CCCNc2cc",-11.734200633432044],["c2nc(C)sc2",-11.734240903653392],["N1CCN(Cc2cn",-11.73428721697004],["▁CC(C)(C)n1nnnc1",-11.734287793297808],["▁CC1(CO",-11.734309503387545],["[nH]c3c2)cc1",-11.73431056759834],["[C@H](Cc3ccccc3)",-11.734371845074206],["c3ccccc3)C(=O)C2",-11.734391229720478],["c1ccc2oc(=O)c(",-11.734392146974407],["NC=O",-11.734578120026578],["COc1ccc(-c2nc",-11.734615493729372],["CC4)ncnc32)cc1",-11.734799802384078],["▁NC(=O)C1CCCN(",-11.734810362715727],["▁O=C(O)C1CCCN1",-11.734832557784088],["N(c1ccncc1)n1cc",-11.73495151116897],["c1cc2n(n1)CCN(C",-11.734959931551996],["▁Cc1csc(=O)n1CC",-11.734964043436872],["▁N#CC(N",-11.73514822863632],["C4C3=O)",-11.735214613156582],["CO[C@H]2CN(C",-11.735281878402056],["C=C[C@H](C",-11.735524971696687],["▁COc1ccc(-n2cc(",-11.73553245530421],["▁CN(C)C(=O)n1nn",-11.735571798682702],["C[C@H](CC(=O)NO)",-11.735662040694775],["(F)c(C(N)=O)c3F)",-11.73570015225394],["c3cn4cccnc4n3)",-11.735700158921926],["c2c(Cl)sc(Cl)c2",-11.73571036795676],["CCC4(C)C3CCC21C",-11.73571090130977],["N2CC3CC2CN3)",-11.73574488976869],["▁Cc1cnn(C2CN(C",-11.735871963543904],["c2cc(C(=O)NO)sc2",-11.735872863092926],["C1c2cc(C#N)ccc2",-11.735990680784008],["c4cc[nH]c34)",-11.736023198075593],["▁CCCn1nnc(NC(=O)",-11.736039710663343],["c1ccn(-c2cc",-11.736070448154102],["C[n+]2ccn(C)c2)",-11.736071559430489],["c2c(-c3cccnc3)c",-11.736109281525827],["c1ccc2nncn2n1",-11.736176845763175],["a",-11.736233863197947],["n1ccc(=O)c(O)c1C",-11.736288490287436],["OC(=O)C1CN=CNC1",-11.73628877890106],["n1ncc2c1CCCC2NC",-11.736353498414474],["n2cnc3c(NC4CC",-11.736439440556106],["▁CC(C)(C)c1ncc(",-11.73646453875564],["c1cncc(C2CCCN2C",-11.73648977669093],["c1c(O)ccc(O)c1",-11.736496760659984],["(OC)c(Cl)cc1OC",-11.736575085203343],["C1C(=O)N(O)C(=O)",-11.73664372265155],["c(C3CC3)nc12",-11.73669733444604],["CSC1=NCCS1",-11.736728591519276],["▁CC(C)Sc1nnc(",-11.736908505881056],["c3ccccc23)no1",-11.736973575675854],["c3cccs3)CC2)n1",-11.737008032228491],["c(CN2CCCCC2)c1",-11.737092157293214],["c(N[C@H]3CC",-11.73714330677709],["C(Cc1ccco1)",-11.737145000708072],["[C@@H]1O[C@@]13",-11.737146899035311],["N(C)C)cc1OC",-11.737154271991676],["C(c3ccccc3)=C",-11.737158362314943],["c3sc(C)c(C)c3",-11.73719180926305],["[C@@H](CS)C(=O)N",-11.737311919907745],["(C(=O)Nc1nccs1)",-11.737335365912882],["cc2[nH]ncc12)N",-11.737337822316672],["n3c(nc2c1)CCCCC3",-11.737370460323785],["Cc2nc(N3CCOCC3)c",-11.737564954320368],["nc4[nH]cnc34)",-11.7376037192613],["(NC(C)=O)cc2)cc1",-11.73760652808928],["c2cc(NC(C)=O)",-11.737674321679798],["N(CCBr)CC",-11.73770180847847],["N(CCCl)C",-11.737808763480754],["Sc2ncccc2",-11.737861465090631],["CN1CCC2(C)",-11.73796824287768],["▁NC(=O)c1[nH]",-11.738041229607177],["n3c(-c4ccncc4)",-11.738113476718334],["c(C(F)(F)F)nc3",-11.73813312478192],["@]4(CN5CCC4CC5)O",-11.738210003764612],["nn(CCO)",-11.73821339902695],["▁Nc1cc(F)ccc1N",-11.73821613363234],["C[n+]2ccc(",-11.738257101737698],["1CCc2cc(O)ccc2C1",-11.73826428436358],["CCNC(=O)[C@H](O)",-11.738304416162944],["▁O=S(=O)(C1CC1)N",-11.738307284470611],["2C(C(=O)[O-])=C3",-11.738326588268738],["c2c(c1)/C(=C/c1",-11.73836990998972],["C4CC4",-11.738514640226333],["(S(=O)(=O)O)cc2)",-11.738530878221496],["▁CCCCCCNC(=O)O",-11.738644208779824],["[C@@]1(O)C(=O)CO",-11.738649018431824],["C2OCCc3ccccc32)",-11.738682317877444],["C[C@H]2[C@@](C)(",-11.738690291377836],["c3cccc(N(C)C)c3)",-11.738691032629868],["▁CC(C)(C)N(N",-11.738741870610308],["c2ccc(O)c(O)c2O)",-11.738755602328837],["N)nc3ccccc3c2n1C",-11.7387575043654],["c(CCC(=O)O)ccc2",-11.738893496457356],["N1CCOC2(CCCN(",-11.73894006795477],["▁O=Cc1c(-",-11.738965763759069],["▁CN(C)c1ncnc2c1",-11.739006137643],["▁C=CC[n+]1c",-11.739089841385288],["c2cc(Cl)cc(Br)c2",-11.73916160142485],["c3cccc(c32)C1",-11.739191200209376],["▁CC(=O)n1nc",-11.739207215824552],["nc(CO)c(C(=O)NC",-11.739216407078716],["c3c(F)c(F)c",-11.73922176013313],["c(NC(=S)",-11.73924648286254],["▁Cc1ccn2cc(-c3cc",-11.739340664458108],["n2-c2ccc(Cl)cc2)",-11.739379698007546],["CCCN(C)C)cc1",-11.73951070918951],["▁COC1CCCc2nc(N",-11.73960030264248],["[C@@H]1C(=O)N2C",-11.73960838004681],["c2c(=O)[nH]ccc12",-11.739677811583164],["▁Nc1nccc2c1ncn2",-11.739745129540264],["cnc4c3",-11.739813857905617],["▁COC(=O)C1=C2",-11.739890066953194],["CN[C@H]1CCCN",-11.739934930425282],["▁CC(C)Cn1c(N)c(",-11.74008843068838],["▁C=CCn1c(C)cc(",-11.740201105097858],["[C@@]2(O)CC1",-11.74021921333322],["CC(F)(F)C1",-11.74022372724166],["c2coc3ccccc23)",-11.740280152047134],["/C(=C(\\O)",-11.740366105793502],["c2c3ccccc3ccc21",-11.740419662371046],["c2c(N)nc(N)nc21",-11.74042516560332],["c1nonc1-",-11.74046370412385],["c1ncnc2c1nnn2",-11.7404806473163],["N1CCC2(CC1)CC(O",-11.740530471846894],["c4cc(Br)ccc4",-11.74057674631488],[")=N/NC(=O)",-11.740688768658911],["▁C=C(CN(C)C)",-11.740748908352618],["c1nc2n(n1)",-11.740753599028936],["cn23)CC1",-11.74076674726955],[")c1cccn12",-11.740805375040749],["(OP(=O)(O)O)",-11.741171136701247],["3ccccc3nc-2c1O",-11.74124115799591],["C1OC(C)=O",-11.741284420585076],["C(N)(CO)CO",-11.741315236285374],["N1CC[C@]23c4c5cc",-11.74132889289246],["c1cc(O)ccc1-2",-11.741414890349208],["NC(=S)NC3=O)",-11.741532769850975],["N1CCCC(CO)C1",-11.741550782660354],["CCN1CCN(C)CC1",-11.741569807240005],[")OCC(=O)N2",-11.741593722400076],["COC(=O)CCC",-11.74164579799641],["N3CCCCC3)CC2)cc1",-11.741661370245934],["c1cc(C)n(CC2CN(C",-11.741666239908302],["c1ncnc2c1ncn2C1C",-11.741673249476602],["cc(-c2ccco2)on1",-11.741815985003496],["Nc1ccnc2c",-11.741898680777378],["▁CCCn1nc(C(=O)N",-11.741945742254211],["C[C@H]1[C@@H]1CC",-11.741952431410636],["CCCC[n+]2ccc",-11.742036094229729],["nc3c(c2",-11.742052734233848],["CO[C@@H]2CCN(C",-11.74208468537217],["c1ccc(-n2nnnc2SC",-11.74211683733555],["CC[N+]2(C)C)",-11.74216670344677],["▁Br.COc1ccc(",-11.742198617419607],["c2cc(I)ccc2",-11.742228720409528],["[C@@H](NC(=N)N)",-11.742230687007655],["C2CNCC2",-11.742247152546994],["CCOC(C)(C)C2)cc1",-11.742262468927876],["C[S+]1C",-11.742356368412242],["n1c2ccccc2c2c",-11.7423734926507],["nc(-c2ccncc2F)c",-11.742575958476433],["C(=O)c2ccc3cc4",-11.742802875051233],["CCN1C1CCCC1",-11.74281486322581],["NC(=N)c4cccs4)cc",-11.742848068835263],["c(CNc2ncnc3c",-11.742890281433969],["CN1C[C@H](O)",-11.742936298882832],["▁Cc1ccsc1C(=O)OC",-11.742951206439852],[")Nc1ccc(Br)cn1",-11.74296407018963],["▁C=C(C)CN(CC)",-11.743108447685552],["▁N[C@H](C[C@H](C",-11.743139828011252],["c1cc(/C=C/C(=O)",-11.743144170046422],["c2ccc(O)c(Br)c2)",-11.743150116390948],["▁CC1(C)Oc2cc(",-11.743161053956207],["c1c2c(cc3c1OCO3)",-11.743276202237396],["c1ccc2c(c1)nc(CC",-11.743308338230088],["c2cc3cccc(C)c3n",-11.743369795647215],["nc3c2)CC1",-11.743468106469424],["5ccccc5[nH]4)",-11.743506791634],["C(O)=C1O",-11.743539554334646],["(CN2CCCC2=O)",-11.743541526048062],["COc1ccccc1)N",-11.743604163508005],["[C@@H]3C[C@@H]21",-11.743605141398165],["▁CCOCCN1CCN(C",-11.74366925251153],["▁CCCC[n+]1c",-11.74371876659008],["▁CN1CC[C@@](O)(",-11.743769820096354],["▁O=C1NC(=O)C(c2c",-11.7437844544404],["n3cccnc3n2)cc1",-11.743841418858908],["c2nc(C(F)(F)F)c",-11.74385045635488],["▁COc1cc(CO)c",-11.743888676635835],["C1CCCc2c1cnn2",-11.743891907077776],["n(-c3ccc(OC)cc3)",-11.744079990013423],["C3CCCC3)CC2)",-11.74409685562429],["▁C=C1CCC2",-11.74412595399869],["(ccc3ccccc32)s1",-11.74417660685987],["c(N3CCCNCC3)",-11.74437400403918],["c(N3CCC(C)CC3)",-11.744390192895484],["c2=O)O[C@@H]1CO",-11.74445789636388],["(-c3ccc(C(=O)O)c",-11.744515258238785],["c3c2CNCC3)cc1",-11.744522618924346],["C2(OCCO2)",-11.744666112425806],["N3CCNC3=O)",-11.744686654556872],["▁Nc1cc(Cl)ccc1",-11.744735101045787],["N(C)c1nc",-11.744813611157303],["c1ccc(N2C(=O)CC(",-11.744834769117276],["c4cn[nH]c4c3)",-11.744843768791332],["c1ccc(-[n+]2c",-11.745087219766765],["▁O=C(CBr)N",-11.74510382438249],["nc(C2CC2)nc1",-11.745304391152082],["c(=O)c3ccccc3o2)",-11.74537864491302],["C1CCOCC1)C2",-11.745451795269716],["N1N=C2",-11.745489028411864],["▁O=C(OCCN1C(=O)",-11.74552707846548],["c2ccc(-c3cnco3)",-11.745543283291054],["N(Cc2ccccc2F)",-11.74559299704378],["cc(-c3cccs3)nc2",-11.745604463752755],["Nc1c(C(N)=O)cn",-11.745731452751055],["▁COc1cc(N)ccc1",-11.74573763931948],["C(=O)Oc1c(",-11.74573826999158],["▁C/C=C/C(=O)OC",-11.745749456343065],["C(=O)N1CCc2[nH]",-11.745825993508957],["▁O=C1CC(N2CCN(",-11.745950858498176],["c(F)cn",-11.746050469724551],["▁CCC(C)OC(=O)",-11.746081705402604],["Cn1c(C)c(C(=O)",-11.746097535113678],["c1ccc(OC(C)=O)c(",-11.746105428850193],["1)[C@H]2",-11.746188579502622],["OC)ccc1O",-11.746201081780477],["▁CC1(COc2ccc",-11.746242556531907],["[C@H](O)[C@H]1N",-11.746361842979548],["ncn2-c2ccccc21",-11.746363276431982],["OCCOCCOCCOCCO",-11.746449068030929],["-c5cccnc5)cc34)",-11.746487719737551],["c2cc(Cl)nc(N)n2)",-11.746524151694553],["=C(C(=O)OCC)C(",-11.746589290451816],["c2c(O)[nH]",-11.746593644959614],["(-c2ccc(F)cc2)o",-11.746625205903984],["Cc1c(C)c(C#N)c",-11.746628474783272],["▁CCn1c(CN",-11.746710408215057],["2ncc(C(N)=O)c(N",-11.746815052639835],["[C@H]3[C@H]12",-11.746857750514952],["cccc35)",-11.74704155643061],["Cc1ccc(OC)c(OCC",-11.74710944170989],["▁Oc1ccc(Cl)cc1-",-11.7471278013209],["sc2=S)",-11.74722314214782],[")C=CC(C)(C)O4",-11.747254639992342],["cc2)=N1",-11.74752264488625],["▁CC(C)Cn1c(=O)",-11.747536866681257],["▁C=CCOC(=O)C1=C",-11.747541985460453],["▁Cc1ccc(-n2nnnc2",-11.747556889853607],["(CCN",-11.747559987792917],["▁CCC1=N[C@@",-11.747603500856664],["ccc2F)N=C(N)",-11.747617693497263],["▁CC(=O)OC[C@]12C",-11.747644735256705],["[C@@]23CNC",-11.747651786987127],["▁CCCCCCCCC#C",-11.747721419352246],["c2nc(-c3cnccn3)n",-11.747741097047664],["c1cnc(Nc2ccc(",-11.747786983089274],["▁CCC1(CC)O",-11.74780212359428],["nc1NCc1ccccc1",-11.747828803418027],["c1cc(C(=O)N(C)C",-11.747946571758057],["c2cc3sccc3n2C",-11.74803728912372],["▁CCN1C(N",-11.748075333773516],["c(C(N)=O)[nH]",-11.748088137589772],["O)cn3C2CC2)C1",-11.748254827461816],["c1nc(=O)c2ccccc2",-11.748287100710094],["c2c1CN(C(=O)",-11.748315463326104],["[N+]([O-])=C(",-11.748435833510843],["/C=N/NC(N)=S",-11.748446883096827],["c(NCc3ccc(F)cc3)",-11.748493003950015],["ccc(-c2csc(C(O)",-11.748523759267446],["[C@H]2O[C@@H]2",-11.74857060752032],["c2ccc3c(ccn3C",-11.74858582718316],["▁CCCc1c(OCCC",-11.748642269861836],["c1nc(-c2ccncc2)c",-11.748654131507658],["4cc(F)ccc4[nH]3)",-11.748711584966834],["▁O=C1CCCCCCCCCC",-11.748775815373254],["cn2ccnc12",-11.748793007444254],["c3ccc(O)cc3c12",-11.748838368621024],["CCN4CCCC4)cc3)",-11.748846684025873],["c2nc3sc(C(=O)N",-11.748977847195158],["▁c1cncc(N",-11.749009206096911],["c(-c3cncc(",-11.749050126832309],["▁C=C1C[C@H](",-11.74909317923072],["▁C#CCOc1cc",-11.749144003279769],["@H]3c4ccc(O",-11.74926346066848],["SCC(=O)C(F)(F)F",-11.749296259344042],["2CCCC12",-11.74934042697175],["▁O=C(O)c1s",-11.749451702509257],["▁O=C(O)C1N",-11.749463310570736],["▁O=C1c2c(c",-11.749499492849967],["c2cc(Br)c(Br)",-11.749522624497107],["CCCNCc1c2ccccc2c",-11.749618563164518],["[nH]c2=O)CC1",-11.749621641616638],["C1CNC(",-11.749657697273427],["3CCCCN3",-11.749713581196376],["c(C3(c4noc(-c5c",-11.74978709750977],["c(-c2ccccc2)nc1S",-11.749839440126715],["c1nc(C)c(C)",-11.749893879116913],["n(C)c(=O)c2c1",-11.74999271479653],["O[C@]3(",-11.750180489252086],["▁c1cnc2[nH]c",-11.750276249219487],["CCN(c2cnccn2)CC1",-11.7503790819501],["▁Cl.NC1=N",-11.75041389939965],["c1ccccc1-c1nn",-11.750444889758208],["Cc2c(O)cccc21",-11.750537361825032],["c1nc2ncc",-11.75073338999288],["[C@@H](O)[C@H]3O",-11.750816603534169],["5)n4)CCC3)c",-11.750830173669907],["N2CCOCC3(C",-11.750878336666132],["▁COc1c(O)ccc2c1",-11.750909382048016],["CN2C(=O)CCC2=O)",-11.751151940601634],["[C@H](O)[C@H]2O1",-11.75122068595402],["C2=O)nc1",-11.751424965306482],["▁NS(=O)(=O)Oc1cc",-11.751429207577424],["▁CCN1CCc2c(sc(N",-11.751466785283208],["▁NC(=O)c1sc(",-11.751500922390216],["c5ccccn5)",-11.751515259757166],["c1ccc(-c2nc3n(c2",-11.75156947061227],["/C=C/c1ccccc1)NC",-11.751602420727192],["N2CCC(CO)CC2)",-11.751701573192031],["c2cccc(OC)c2O)",-11.751780793875009],["c3ccc(I)cc3)",-11.751847352098087],["c3oc(-c4ccccc4)",-11.75195820813125],["NC(=O)c2ccco2)s1",-11.752017028025191],["(Cl)nc(Cl)",-11.752021127115755],["N2CCC(Oc3ccc",-11.752031307841063],["cc(-n2nc(C)nc2C",-11.752042340357908],["Cn1nnnc1-",-11.752063419375473],["▁OC1(CN",-11.752088498458315],["NC(=N)N(C)",-11.75209923490429],["c1onc(O)c1",-11.752285836148848],["▁CCN(CC)C(=S)N",-11.75230310348487],["nc(NC2CCCC2)n1",-11.752327122527966],["1CCSCC1)",-11.75241965966122],["▁C=C1CCN(",-11.75258365831546],["cnc(-n2nccc2OC",-11.75258925464452],["-c2c[nH]c3ncnc(N",-11.752603601063708],["▁CN(Cc1ccncc1)",-11.752697847906392],["c3)cc2)CC1",-11.75275876434181],["▁CNc1ncc(C(=O)",-11.752793598769024],["[C@](C)(OO",-11.752986296866569],["▁CCCc1cc(-c2n",-11.75302113357469],["c(-c2ccc3c",-11.753022290298352],["C2C=CCCC2)",-11.753040302621477],["▁Cl.Nc1nc",-11.753051107741536],["c4CC[C@H]3",-11.753056654847637],["▁O=C(N/N=C1\\C",-11.753071573323323],["C(=O)N(CC)C1=",-11.75310386621248],["c3c(F)cccc32)",-11.753162328540396],["c54)",-11.753198331653865],["c(OC[C@@H]2CCN2)",-11.753272101169213],["n(C)c(=O)n3C)",-11.753283275587426],[")N1CCc2sccc2C1",-11.753307955552406],["cs2)o1",-11.753462544155807],["▁COc1ccc(C)cc1-",-11.753551837824732],["[C@H]2OCC[C@@]2(",-11.753613407227924],["c5ccccc5F)",-11.753657563936107],["C1COC2(CC",-11.753659453668028],["C2(N=C1N)c1cc",-11.753760942478406],["▁c1ccc(CN2C",-11.753861022459857],["c(C3CCCC3)n",-11.75394835037892],[")[C@@H]2CC[C@H]1",-11.753961004359455],["N(CCN(C)C)C2=O",-11.754000550944715],["c3[nH]cc(",-11.754011519277952],["NCCc3cc(O)c(O)c",-11.754020874808893],["CC(C)CC3",-11.75404487525176],["c1nc2c(n1C",-11.75408259520983],["CC(O)Cn1c2ccccc2",-11.754126754593583],["c2cccc(C3",-11.75421420162226],["C2(NC",-11.75437073949161],["c2oc(=O)c(C",-11.754384302594946],["c(Oc2cc(/C(=N/O)",-11.75440444217988],["c(C=C3C(=O)",-11.75447517291703],["c1ccc(F)cn1)",-11.754517418927913],["-c2cncnc2)",-11.754784104413288],["C2(CCOCC2)C1",-11.754827903190687],["c2cncc(-",-11.754877361657355],["3nc(N)nc(N)c3n2)",-11.755031894259885],["n1c(S)nnc1-c1c",-11.75515308865346],["2c3c(cccc3",-11.7551996852166],["n2cnc3c(N)nc(",-11.755256821099817],["c2c(c1)COC2=O",-11.755487504954234],["SC1CC(=O)N(",-11.755531063278427],["N(Cc3cccs3)",-11.755533710731314],["c3c(C#N)c",-11.755578235073072],["cc(OC)c(OC)c3OC)",-11.755884687345905],["▁NCCc1c[nH]c(",-11.755886085047162],["O)/C(S)=C/c1c",-11.755924146836469],["(C(=O)NCC2CC2)",-11.75612429606958],["C[PH](=O)O",-11.756183373496825],["CC(N)P(=O)(O)",-11.756206398406793],["c4cccc5c4",-11.756210634892662],["c(C(N)=O)c2)c1",-11.75629461135656],["COc2cccc(C)c2)",-11.756456072788842],["c2)c(C(=O)O)c1",-11.756607452013828],["c2c(n1)N(",-11.75663126046992],["c(-c5ncc",-11.756726514297403],["4CC=CC",-11.756769264124852],["c2ccc(-c3nc4ccc",-11.756846800618645],["▁COC(=O)Nc1cc",-11.756883322354618],["c3nc(C)cc(C)c3",-11.75695325703739],["o3)CC2)c1",-11.75695326070792],["c2ccc(C3CCCCC3)c",-11.75698944124826],["2ncc(C#N)c(Nc3cc",-11.757050143058413],["▁Cc1cc(C2CCCN2",-11.7570778940724],["C(=O)c2c1ccc1c2",-11.757133908173715],["c1nc2ccc(Br)cc2",-11.757136228501553],["CC(N)C3)",-11.7571907859823],["▁c1ccc(-c2nc(C",-11.757193321149275],["N3CCCCC3C2)",-11.757222049227044],["n2cnc(C",-11.757279426517448],["C1)c1c(O)cc(",-11.757361506479612],["c(-c2nc(-c3ccc(O",-11.757427516666429],["c(/N=N\\",-11.757616358720249],["CN(CC)CC)cc1",-11.7576306873827],["CCNc1ncccn1",-11.75764358529258],["c(Oc3cccnc3)c",-11.75764528855452],["(O)[C@@]2(C)CO)",-11.757671382921703],["[nH]c5ccccc45)n",-11.757704582220333],["C2CCN(C(=O)CC",-11.75770707855668],["▁Nc1nccnc1C(=O)N",-11.757753149594793],["c1cccc(Cl)c1)N1C",-11.757770792050216],["NC=C1C(=O)",-11.757860759837396],["1COC1",-11.757953583064268],["N2CCC(O)CC2)cc1",-11.75797884611965],["▁CC(c1ccc",-11.758011350660905],["c4ccc5c(c4)",-11.758026631796268],["▁CCn1c(C)cc(",-11.758030004570134],["nc2-3)",-11.75806420022697],["▁CCCNc1nc(N",-11.758076886032622],["(Cl)ccc2Cl)o1",-11.758208001284462],["N2CCN(C3CCCCC3)C",-11.758230773486773],["N1CCC(=NNC(=O)",-11.758284514672471],["[C@@H](N)CS",-11.75831932731388],["c4cncnc4)",-11.758426893433375],["▁OCC[C@@H]1C[C@",-11.758481577404028],["C(N)(C",-11.758577454315958],["c4ccccc34)CC2)c1",-11.75869494319843],["CCCCCCn1ccnc1",-11.758819181512504],["c4c(C(N)=O)cccc4",-11.758824391684506],["c(Cl)c(Cl)c2=O)",-11.758857004193448],["c(C)cc23)",-11.758923008327049],["c2nsnc12",-11.759059660955266],["nc(N)nc(N)c1C#CC",-11.759067273721572],["c(C(=O)NC(=N)N)",-11.759069221621443],["N)C[C@@H]1",-11.7591432703062],["c2nn3c(C",-11.759215338341162],["▁O=c1ccn([C@H]2C",-11.75923921450553],["(CC2CO2)",-11.759240106265866],["n[nH]4)",-11.75928636688936],["c3ccc(=O)oc3cc2O",-11.759291923689004],["▁Nc1c2c(n",-11.7593016796336],["[C@H](O)[C@H]3O",-11.759373003468909],["(Nc3ccccc3)n2)",-11.75962633487785],["(=O)NCn1cc(-c2cc",-11.759759367970847],["3[nH]nnc3c2)",-11.759910286941404],["▁O=C(CP(=O)(O)O)",-11.76010724309333],["c1cc2c(=O)n(C)",-11.760110020694077],["c2oc(-c3c",-11.760221384206522],["c3ccc(O)nc3",-11.760301543873034],["c1nc2ccccc2n2c",-11.7604086739622],["▁CCN1C(=O)C(=C",-11.76042654157995],["c4[nH]ccc34)",-11.76050030482614],["C[C@@H]2N1C",-11.76051682995528],["1C[C@H](N)[C@H](",-11.76073904573401],["CC(C(=O)O)(",-11.76083510993373],["c(C(=N)NO)",-11.76093148649358],["▁CC1=Nc2ccccc2",-11.760991809006182],["(NC2CCCCC2)",-11.76100649872092],["▁N#CC1(n2cc([C@",-11.761166074232474],["c2c(F)cccc2F)nc(",-11.76118020189163],["C(=O)N1CCCn2nc(C",-11.761197013170303],[")Nc1cccc2cnccc12",-11.761253316853876],["cn1)C2",-11.761360693545898],["▁C[C@@H](Nc1nc(N",-11.761380968705987],["c2ccccc2)n2nc(N",-11.761538977349971],["▁CC(=O)c1ccccc1O",-11.76159924112578],["=C2c3ccccc3C(=O)",-11.761641226043182],["3CCN(Cc4ccccc4)C",-11.761657835592342],["▁COc1cccc(-n2c",-11.761775390926996],["NCC(O)COc1ccc(",-11.761776474682758],[")N1CC(c2nccnc2",-11.761786143892907],["(C4)C2)C3)N1",-11.761881008308135],["c6cc",-11.761900022464024],["c3ccoc23)",-11.76192128361104],["c1ncn(CCC",-11.762054009773706],["ncc4C3)",-11.762071441267656],["cc3Cl)CC2)cc1",-11.762100721458856],["c1cnoc1",-11.76222410197213],["NNc1c(Cl)cncc1Cl",-11.76229920624966],["c3nc(C(C)C)",-11.762497345321258],["Sc3nnnn3C)",-11.762511939481488],["▁Cn1c(N)nc(",-11.762534036195206],["▁COc1ccccc1Nc1nc",-11.76257336289444],["/N=C3\\",-11.762638529769596],["c(OC[C@@H]3CCN3)",-11.762729728378616],["NC3CCc4ncnn4C3)",-11.76273068739242],["C(N2CCOCC2)=N",-11.762743917596486],["CCc2n[nH]cc2-3)",-11.762759197836369],["▁OC1=C2C(=N",-11.762762788274228],["cc(=O)n2ccsc2n1",-11.762770500709696],["OCC(O)CO)",-11.762770812475727],["n(CCN2CCOCC2)",-11.76277328559816],["3C4CC5CC3C",-11.762773413062954],[".F[",-11.76278291074508],["▁OCC1O[C@@H](O",-11.762807978601945],["C2CCCC(C)C2C)",-11.762811407371023],["(O)c(Cl)c2",-11.762835026840447],["oc2c(C)c3oc(=O)c",-11.762935405361349],["c2cccn2c2cccnc21",-11.762965490079448],["SCC(O)C",-11.762966610200264],["▁COc1nc(C)c",-11.76297738327957],["N1C(=O)C(Cl)C1",-11.762981269642864],["c(N(C)C)c1",-11.763011529569605],["C2CO2)",-11.763096853263876],["▁N#Cc1cc(C(=O)",-11.763129604463938],["=O)N3CCc4c(cccc4",-11.763142562196382],["C(C)=CC(C)(C)N2",-11.763143353545033],["c(-c2nc(C#N)c(N",-11.763156596243975],["▁Cc1nsc(-c2",-11.76316457478078],["C1=C(OC)C(=O)",-11.763297952232325],["C(=O)C1=C(C2=O)",-11.76337511408492],["nc(-c2ccccc2)o1)",-11.763376585149471],["▁Cc1ccc(-c2nc3c",-11.763381119902132],["3C)C2)ccc1NC(=O)",-11.763386593405384],["▁C=CC(=O)N1C",-11.763469478718909],["n2c(n1)OC(CO",-11.76355945834317],["(=O)[nH]c(N)nc21",-11.76363414666356],["c1ccn(C)n1",-11.763689156355788],["cccc3ccccc23)cc1",-11.763781442372744],["c2ncc(Cl)cc2Cl)",-11.763876756960748],["C=C(C)[C@@H](O)",-11.76394355525691],["▁CCOc1cc2ncnc(N",-11.7641105266785],["[nH]c2=O)n1",-11.76416036586763],["▁CCOc1cccc(CN",-11.764240666190982],["▁Cc1cc(C)n(C2CN(",-11.76424653312583],["c3nc(-c4cccs4)c",-11.764394892824289],["c(-c2noc(C3C",-11.764408827755869],["▁Oc1nc(C",-11.764439786526149],["c(O)c23)",-11.764472956606134],["▁O=C(O)CCC(",-11.76454778179716],["c2nc(N3CCN(",-11.764640945038758],["▁O=C1Oc2ccccc2",-11.76465735093593],["OCC3)nc3c2CCN3",-11.764715824773727],["N3CCCCC3)ccc2",-11.76474618584734],["nc3ccc(C)cn3c2",-11.764746192724443],["c3ccc4[nH]ccc4c3",-11.764772599591463],["[C@H]3OCCC[C@H]3",-11.764879611632468],["=[N+]([O-])[O-]",-11.764949260151203],["▁Oc1ccc(C(=",-11.764960955513168],["▁Cc1occc1-c1nnc(",-11.76498071611006],["n1nc2c(c1NC(=O)",-11.765035233531204],["c3cccc(F)",-11.765074987670364],["[C@H]3[C@H]2",-11.765111416050818],["N(O)C1(C)C",-11.765145474088706],["c2cccc(F)c2F)n",-11.765150664061595],["c2c(c1N)",-11.765156712087537],["NC(=O)[C@@H](S)C",-11.765200331906666],["C1=C(N2CCCC2)C",-11.765451074456834],["▁CN(Cc1ccccn1)",-11.765520068329376],["(=O)n3ccsc3n2)",-11.765521099320372],["▁C/C1=C/CC[C@",-11.765533003847318],["c4ccccc24)",-11.765534737901335],["2[C@H](C#N)C",-11.76562810818084],["CN2CC[C@H](O)C2)",-11.76564187018516],["c3ncccn3)CC2)c1",-11.7657545334454],["c2ccc(-c3cccc(",-11.765795540845252],["c(Oc3cncnc3)c",-11.765849440949104],["nc(S(N)(=O)=O)s",-11.76586808260772],["c1c(Sc2ccccc2)n(",-11.765895065980391],["[C@H]1C[C@@H]2CN",-11.765954856853082],["(-c3ccccc3OC)",-11.765967231288858],["COC(Cn2cccn2)C1",-11.76600577650893],["C1CCN(C(C)=O)CC1",-11.766043993985935],["▁Cn1nnnc1Sc1nc",-11.766067122775125],["▁c1cnn(C",-11.766084713708873],["c(/N=N/c2ccc",-11.76609074988746],["nc2sc(C)c(C)c12",-11.76613371891718],["/C(C#N)=C/c2ccc",-11.766164685835584],["(C)c(C(C)=O)c2C)",-11.766193233498717],["COc1ncnc2ccccc12",-11.766194232904375],["(N3CCCCC3)cc2)",-11.76622489747442],["(c3nc4ccccc4n3C)",-11.76626082532554],["[nH]2)cc1F",-11.766289335492244],["C(=O)ON=C(N)",-11.766330507083136],["P1(=S)",-11.766344193251626],["cc(C#N)c3)",-11.766378957857553],["c5cc(O)ccc5",-11.766407917610826],["▁NC(=O)c1csc(",-11.76645912017784],["▁C[C@@H]1C(=O)N(",-11.76648891195893],["▁CNCC[C@H](",-11.766502083997072],["2ccccc2c1",-11.766518087273065],["c2c(c1C)C(=O)CC(",-11.766549169484575],["[C@@H]2CCCN2)c1",-11.766721448702487],["cc2O)n1",-11.766754340740402],["nc3onc(C)c23)",-11.76681270224607],[")=C(/O)OC",-11.766828115152451],["c2ncn(C3",-11.766860845428646],["c2c(Nc3ccccc3)",-11.76691258165891],["C2=NN=C(",-11.76698554630174],["C2)n(C)n1",-11.767051647362887],["[N+](C)(C)CC2",-11.767120669942528],["c(-c2ccc3nc",-11.767153373277855],["n2c(nnc2",-11.767173783346616],["▁O=C(O)CSc1n",-11.767207286313518],["P(O)",-11.767254110223073],["cnc3c(Cl)ncnc32)",-11.767303408304754],["N1CCC2(c3ccccc3)",-11.767394604622435],["▁Nc1nc(-c2ccc(",-11.767431439040848],["c(-c2ccccc2F)n",-11.767867172871275],["N(C)C3CCCCC3)",-11.767909007963633],["c1n[n+]([O-])c2c",-11.76796235185499],["OC(=O)[C@H](CO)",-11.767975351353146],["Nc2ncnc3c2nnn3C",-11.767991379133257],["▁C[n+]1c(/C=C/",-11.76807751366732],["C4CC4)ncnc32)",-11.768114759846345],["-c3ccn",-11.76812545292358],["▁Nc1ncnc2[nH]",-11.768169385957693],["Nc1nc(C)cc(C)n1",-11.76818455884336],["c(O[C@H]2C[C@@H]",-11.768216448695863],["n(-c3ccccc3)cc2C",-11.76868651799924],["▁Cc1occc1-c1nn",-11.768726228763333],["c3nc(-c4ccccc4)n",-11.768840818823158],["[C@@]24",-11.768869296697174],["3CCOCC3)C2=O)cc1",-11.76887069862788],["2c(cnn2C2CCCC2)",-11.768894431779676],["c1c(F)cccc1-",-11.76901535215516],["H](C#N)[C@H](",-11.769065915560422],["CC[C@]23C",-11.769120942161148],["c3cc(F)ccc3c2",-11.769153900784426],["nc3sc(C)c(C)c23)",-11.76918388680672],["2CCCN(c3cccnn3)C",-11.769245669524992],["c2C)C1=O",-11.769250479351449],["C(OC)c1cccc(CO",-11.76926860221872],["([S+](C)[O-])c",-11.7695107755558],["c(=O)n(CC(=O)O)",-11.769527757029069],["c2noc(C(C)C)n2)",-11.76953942713299],["c(-c4ccc[nH]4)",-11.769581583829355],["OCc1ncn2c1CN(",-11.769606879302874],["(N2CCN(C)CC2)n",-11.769632925786418],["N2CCCC2Cn2cncn2)",-11.769692911223611],["[C@H](C)C2CC2)n",-11.769731970268907],["c2ccccc2OCC)",-11.76986123726726],["▁c1c[nH]c(",-11.770103410335372],["1CCN(CCO)CC1",-11.770129638705887],["COC(=O)CCC(=O)",-11.7702230512903],["▁CCN1CCN(CC(=O)N",-11.770338539543555],["1C=CCCC1",-11.770400574366436],["▁O.O",-11.770503228014258],["c3noc(C",-11.770524983713674],["O)CC/C=C(\\C)C",-11.770602642261968],["▁CC1CC(=O)c2c",-11.770688595882731],["C2CCN(C(C)C)CC2)",-11.770706919436382],["CN(Cc3ccsc3)C",-11.770707664032766],["cc2cn[nH]c12",-11.77072343057374],["cc(=O)c2ccccc2o1",-11.770723708742697],["▁CNc1nc(Cl)",-11.77079355851026],["C2=C1CCCC2",-11.770816100886613],["▁CN(C)CCCNc1cc",-11.770860664157436],["(CN4CCCCC4)cc3)",-11.770893740813973],["1CCn2cccc2C1",-11.770937814393738],["2c(c(=S)[nH]1)",-11.771002399929284],["Sc1ccccc1N2",-11.771015896706194],["c1nc(N)nc(N)n1",-11.771067254746804],["▁Cc1nn2c(=O)cc(",-11.771072653336912],["▁CC(C)Cn1c(",-11.771125505308229],["c2cc(Br)cc(Br)c2",-11.77114764904074],["=C(OC)C(=O)",-11.771189632073025],["(Nc3cc[nH]n3)n",-11.77121998300487],["▁COc1cc2ccnc(",-11.771329930663503],["C2Oc3ccccc3",-11.771369346966498],["C(C(=O)N1CCOCC1)",-11.771404669603772],["c1ccc(-n2s",-11.771430087829335],["c1nonc1-c1ccccc1",-11.771458840765652],["cn3)C2)cc1",-11.77153911995539],["c1cnn(-c2nc",-11.77178425029301],["1CCC[C@H]1C(=O)N",-11.771798120695374],["▁CN1C(=O)/C(=C\\",-11.771838983713756],["c(-c2cnc(N)c(-",-11.771988429252351],["▁O/N=C(/c1ccc(O",-11.772004990348844],["oc2=O)CC1",-11.772012277417742],["C[C@]2(C)O[C@H]2",-11.772022128661424],["1CCC2(CC1)OOC1(O",-11.772037222172257],["CCS2(=O)=O",-11.772068099646289],["-c3ccccc3)cc2)CC",-11.7721245179899],["▁[O-][n+]1onc2c",-11.772295323053584],["-c2csc(NC(=O)C",-11.772538651459792],["ccc34)CC2)",-11.772716496753723],["c1nc(C2CCCCC2)",-11.7727804928277],["N1CCN(C2CCC2)CC1",-11.77278784804164],["C(=O)Nc2cc3[nH]",-11.772864218234307],["▁C=C1[C@@H]2CC",-11.773015396519442],["▁O=C(NCCSC",-11.773077375704052],["▁CN1[C@@H]2C",-11.773212086670672],["CS/C(=N\\O)C(=O)",-11.773269911912054],["▁C#CCN(Cc1cc",-11.773359007446045],["sc(-c3ncccn3)n2)",-11.773484899156973],["▁C/C=C1\\C",-11.77350440030196],["c2ccc(-c3nc4c",-11.773560582944263],["c1cccnc1N2",-11.773576736720395],["cccn34)",-11.773708092067306],["c2[nH]c(=O)n(",-11.773759263282605],["c2F)C1",-11.773785689056291],["c1cc(I)ccc1",-11.773860806625876],["c5ccc(F)cc5)",-11.77390233257722],["(C)CCC[C@@]1(C)C",-11.773959780940064],["▁CCC(c1nnnn1C",-11.77398888888386],["c(SCc3ccccc3)n",-11.77403039876005],["c(NCc2ccccc2)n1",-11.77407257578227],["c(C3=CCNCC3)",-11.774076083088143],["▁CC(CN1CCOCC1)O",-11.774106196053852],["(c3ccccc3)CC2=O)",-11.774154080540994],["▁Cc1cccc(-n2n",-11.774198043172708],["▁CC(c1ccccc1)n1c",-11.774218721998212],["c(-c2cnc3ccc(N",-11.774349076751722],["c2ccccc2NC1",-11.774375329888212],["▁CNC(=O)C(OC",-11.774376192777998],["nc(-c3cccc(O)c3)",-11.774393782280598],["▁CCC1(O)C",-11.774394373430162],["1[C@H]1O[C@@H]21",-11.774414107730776],["c3ccccc23)cs1",-11.774442710067731],["c3ccccn23)c1",-11.774467797030516],["l",-11.774496192119576],["c2sc(N)nc2",-11.77466325868134],["cc3-c3ccccc3)",-11.774690749208162],["=C2NCCN2)",-11.774755340535313],["c2ncc(Cl)cc2",-11.774926187934437],["C(C)=CCCC1(C)C",-11.774982468186852],["[nH]c(=O)c2cc1Cl",-11.775003512076117],["N1CCN(Cc2nc3cc",-11.775014865424716],["▁Nc1nc2nc(",-11.775132504862205],["nnc(C(F)(F)F)s1",-11.77519676650798],["c3cc(F)ccc3n2",-11.775369375666738],["CCC(=O)[O-]",-11.775377922031325],["▁CCCn1c(=O)c(",-11.775397744970608],["CCNC(C)=O",-11.775424386358257],["NC(=O)CSc1nnnn1",-11.775483632083796],["/C1=C",-11.775520038235722],["NC1=NC(=O)/C(=C/",-11.77555360030757],["C3CCOCC3)C2)",-11.77558527961658],["[C@H]4CC[C@]3(C",-11.775661342627746],["▁O=C(CCCN1CCN(",-11.775698833186004],["(Cn3ccnc3)",-11.775865557876092],["▁CC1CCc2sc(",-11.775959924257084],["OCCNCC(O)CO",-11.775986390031864],["c2c(CC(=O)O)c",-11.776076745946728],["▁O=C(O)Cc1sc(",-11.776361857030295],["N(C2CC2)C",-11.77655541030509],[")c2ncn([C@@H]3",-11.776684783847806],["cc3n21",-11.776888589894265],["ccc1N1CCN(CCCC",-11.776932553897936],["C(=O)N(C)c2ccc(-",-11.777168617067865],[")c1cc(Cl)sc1Cl",-11.777237353804],["c3cscc32)C",-11.777267270813155],["c2cc(C=O)",-11.777336855248054],["n1cnc2c(N",-11.777356466485452],["nc(-c1ccccc1)n2",-11.77744551878367],["▁N#CC1=C(",-11.777489917558542],["c(=O)oc2cc(O)c",-11.777506726461432],["CSCC(=O)O",-11.77761180591473],["sc(=O)n(C",-11.777645876229911],["OC(C)C1=NCCN1",-11.77767450250113],["c2cc(N3CCCC3)",-11.777730480265504],[")CCC(C)(C)O2",-11.777837260778384],["cc([N+](C)(C)C)c",-11.777900283664104],["C[C@H](N(C)C)",-11.77796978547538],["C(=O)N2CCc3nc",-11.777991440739722],["C1C2Cc3ccc(O)cc3",-11.778059581183555],["NC2(CCCC2)C1=O)N",-11.778079960152503],["CN2C(=O)N",-11.778109950242188],["▁Cc1cccc(-n2nc",-11.778192045559086],["▁COc1ccccc1N(C",-11.778312526557752],["Cn1c(C)c(C",-11.778315649138476],["nc(SCC(N)=O)",-11.778337842651483],["▁COc1c(C(C)C)cc",-11.77836169919279],["nc(C5CC5)",-11.77842107831404],["c2)[nH]",-11.778429903689396],["c2)=N1",-11.778516920198818],["2C(=O)c3ccccc3C2",-11.778522853202658],["▁CNc1nc(C",-11.778563877885343],["c1ccc(Nc2nnc(-",-11.778574978024638],["[C@@H](CC(=O)NO)",-11.77874106773904],["c1cccc2c(=O)c",-11.778917566399944],["(O)cc2oc(-c3ccc",-11.778987328629556],["c4[nH]nc(N)c34)c",-11.778998678545287],["▁O=C(C1CC1)N1C",-11.779091871507328],["c1ccc(Cl)c(-c2n",-11.779124233851505],["c2ccc(O)cc2)c1O",-11.779193618199775],["▁CC1(C)CC(CCN",-11.779228441861576],["c3ccc(F)cc3)cn2)",-11.779295954506782],["[nH]3)CC2)",-11.779314513242458],["c1cn(COCCO)",-11.779494881740758],["cccc2)c1C(=O)N",-11.779754088190328],["N(C(C)C(=O)N",-11.779804003076173],["C(=O)N2CC3(C",-11.779899391846811],["c(-c2ccnc(Nc3cc",-11.779948166076482],["c2ccnc(-c3cc",-11.77996924582947],["C1CCOC1)CC2",-11.780053583991933],["c(Br)c2c1",-11.78006240176282],["▁CN1CCc2c(sc(",-11.780077093892755],["N2CC[N+]3(CC",-11.780132513363077],["▁CN(C(=N)N",-11.780289292617486],["cc3)C2=O)cc1",-11.780325790658992],["▁C[C@H]1COc2c(",-11.780371572599988],["43C)[C@@H]1CC=C2",-11.78038881678501],["▁C[C@@H]1C(=O)O",-11.780429008208742],["C(CS)C(=O)O",-11.78043145173965],["C(=O)Nc1nc(C)c(",-11.78057536721162],["c1ccccc1)=N\\N",-11.780617896811243],["[C@@",-11.780771395333137],[")(c1cccnc1)",-11.780836803144467],["N(c2ccc(OC)cc2)",-11.781026607762708],["▁C=CC[N+](C)(C)",-11.781123333886164],["O[C@@H]3O[C@]4(C",-11.781130991479158],["c(-c2cccs2)nn1",-11.7811564140599],["c1ccc(-c2nn(C",-11.781234162263242],["c1ccccc1)n2C",-11.781369344443096],["n2nc(N)",-11.781440989404413],["c2c1CCN(C)C2",-11.781535095192874],["C(c3ccccc3)C2)",-11.781587425980092],["c2nnnn2C2CCCCC2)",-11.781599126019684],["ccc1CC21CC",-11.781660900657435],["c3cc(C#N)cc",-11.781702591576304],["C(n3nccc3NC(=O)",-11.781982322272285],["▁Oc1[nH]nc(",-11.7819823815233],["2CCC(N3C(=O)C",-11.782132003462722],["C(=O)NCCCOC(C)C)",-11.782173881035517],["▁Cc1c(N2C(=O)",-11.782489667511127],["Oc2ccc(/C(=N/O)",-11.782545867685071],["[C@H]3C[C@@H]12",-11.78269418078481],["Oc2ccc(CCC(=O)O)",-11.782697401552303],["c3ccccc3nc2Cl)",-11.782762264279098],["c1nc(NCc2ccco2)",-11.782766892655587],["▁NC(=O)COc1ccc(",-11.78280296392846],["N(C)C)C3)",-11.78288852154166],["S(=O)(=O)N1CCC(O",-11.782931875755624],["c(NC)n",-11.782980128790374],["▁CCC(Sc1n",-11.783033166431196],["nn(Cc4ccccc4)c3)",-11.783155084029694],["c1oc(-c2ccccc2)n",-11.783244796075984],["▁O=C1NCCN(",-11.783265665408855],["c2nnc(-c3ccccc3",-11.78335369622967],["c2)cc(OC)c1",-11.78339421617776],["c3cc(C(=O)N4CC",-11.783554895041604],["c3ccccc3NC2",-11.783556749980882],["3CC=CCC3)",-11.783575001337809],["c(N=Nc2ccc",-11.783658405240628],["(N)n(S(=O)(=O)",-11.783689110869396],["(OCCCN3CCCCC3)cc",-11.783799174348095],["COc1cccc(C)c1",-11.784086950467538],["-c2ccc(O)cc2)n1",-11.78416679826032],["▁CC(C)(C)c1nnc(N",-11.784202817809652],["c(NCCNCCO)",-11.784214126339258],["/C=C(\\C)C(=O)O)",-11.784231253890017],["▁O=C(Nc1ccc([C@",-11.784403360108085],["c3sccc23)cc1",-11.784436818298998],["C(OC(=O)c1ccco1)",-11.784483299808922],["nc2n1CCS2",-11.784515622193824],["cccc1C(F)(F)F",-11.784819268226872],["C(COP(=O)(O)O)",-11.78486850792734],["[N+](=O)[O-])cc3",-11.785146809186472],["CCC(CN(C)C)C1=O",-11.78515933723732],["N(CCC(C)C)C",-11.785170987240088],["CC1C2CCC(O2)C1",-11.785200350465043],["c2cnc3ccccc3c2",-11.78525524829934],["c(-c3cccc(CO)c3)",-11.785276627139302],["CO)CC3)",-11.78536025299563],["N1CCCC(C(=O)NCC",-11.785367431557166],["Oc2ccccc2OC1",-11.785420499794135],["3)ccc2o1",-11.785513239540794],["▁Fc1cccc2c1",-11.785549116204924],["▁C/N=C(/C",-11.785564682703804],["(N=C(N)N)",-11.785616706506849],["c1ccc(-c2nc3c",-11.78593740018726],["c1cc(-c2ccccc2O)",-11.786093531575869],["N1C(C)CCCC1C",-11.786258403326276],["nnc3s2)",-11.786323796427396],[")[C@@H](O)CN1CCC",-11.786510697508636],["▁Cc1ccc(Sc2c",-11.78652226917754],["c-3c",-11.786546911553124],["c2c1C(=O)NC2=O",-11.786625982348603],["(F)c(O)c(F)c",-11.786631229037674],["c1coc(-c2cc",-11.786637741870004],["▁c1ccc(-c2cs",-11.786767337383331],["c1ccc(C)cn1",-11.78685661863554],["CCC)(CCCC)CCCC",-11.787088837611543],["CCn1c(=S)[nH]c2c",-11.787093162213488],["CCc1nnc2ccc(N",-11.7871213111951],["(-n2nc(C(F)(F)F)",-11.78722020127978],["▁COc1ccc(CCN2CC(",-11.787285887807377],["c1cnc2c(cnn2CC",-11.787309321752543],["c1cc(=O)oc(C)c1",-11.787379751043725],["▁COC(=O)NC(",-11.787439931952283],["c1ccc(N2CCCCC2)c",-11.787509812153235],["n3c2=O)",-11.78756540763095],["c2ccc(NC(=S)N",-11.78771416543471],["c(=O)[nH]c1=S",-11.787755258969334],["c2cnccc2N1",-11.787806189478832],["N2CCn3c(nnc3",-11.787818803701755],["c3cccc(-c4c",-11.787838785978437],["C(=O)Nc1ccc2oc",-11.787979906779867],["▁c1ccc2c(c1)nc(",-11.78801182707844],["Cn1c(-c2cccs2)c",-11.78813783207959],[")CCCCCC2",-11.788183723459529],["[nH]c2ncnc(N3CC",-11.788238262126905],["c(C#N)cn2",-11.788369555870078],["c4ccc(O)c5c4",-11.7884077133347],["@H]2C[C@@]3(C)CC",-11.788478791073205],["nc2cnc(N",-11.788496108394767],["3cc(F)ccc3[nH]2)",-11.788538103999857],["CC(N)C2",-11.788557383126976],["NC(=O)c2cc3c",-11.78858406106931],["nc(N)c(C#N)",-11.788721928371729],["C(C)(C)C(=O)N2",-11.788741826128112],["c2c(C)nn(",-11.7887472753146],["CCCn3cccn3)",-11.78892635226627],["c(O)c1CC=C(C)C",-11.788992896559485],["2]",-11.789029901596702],[")NCCCN1CCCC1=O",-11.789090021424572],["c3ccccc32)c1=O",-11.789106378206275],["(C3CCCCC3)cc2)",-11.789189576271394],["c(O)c2o",-11.789232353092276],["c1c(C)nc2c(OC",-11.789262275133462],["N1CCC[C@H]1CO",-11.789286140972257],["CC(=O)N(C2CC2)C1",-11.78942457551878],["c2[nH]cc(C3=C",-11.789554559225932],["c(CNc3cc",-11.789794890839602],["c(C)c23)cc1",-11.789938060603404],["c(-c2ccnc3c2CC(C",-11.790061707943718],["1CCCC1)N1CCN(",-11.790079525802032],["▁Cc1n[nH]c2ncc",-11.79009281809893],["▁CC(/C=N/N",-11.790169300793991],["▁CSc1c(C#N)",-11.790225414908422],["▁CC1(C(=O)Nc2ccc",-11.79026149836398],["n(CCOCP(=O)(O)O)",-11.790375065056896],["c(CN4CC",-11.790408092630454],["[C@@H]2O[C@H]12",-11.790413730263417],["(CCCF)",-11.790454475958592],["c(OCCCF)c",-11.79050101674127],["n(-c2ccccc2)c2nc",-11.790503131797738],["C[C@H](OCCCCO)O1",-11.790505123142886],["Oc2c1ccc(O)c2",-11.79050522889736],["2CCCN32)C(=O)O1",-11.790506146120189],["c3[nH]nc(C)c3",-11.790508063154],["[nH]sc2n3C2CC2)",-11.79051417253162],["N(C)C(=O)N(C)",-11.79051960928336],["O)cn(C3CC3)c2c1F",-11.790524885584226],["c3nnc4n3CCCCC4)",-11.790541815158456],["1)CCC(=O)N3CCC2",-11.790563716802012],["-c2cnn3c(=O)c",-11.790564419489003],["c2ncc3c(n2)-c2c(",-11.790591826175376],["c1cc[nH]c(=O)c1)",-11.790593254737622],["([2H])([2H])[2H]",-11.790599847388703],["c1nc2c(F)cccc2s1",-11.79065471818575],["C)(CN(C1)C3",-11.790668926815128],["1CC2CCC(CC2)C1)",-11.790673412111806],["C1C[C@](O)(C3)C2",-11.790682764160069],["▁c1ccc(CC2CCN(CC",-11.790696155639331],["c1c(C#N)c(N)n",-11.790828612354094],["c(N3CCCC3=O)",-11.790973698353568],["c2cc3c(cc2F)",-11.790981298422814],["(=C2c3ccc(Cl)cc3",-11.790995613712385],[")NC1=NCCS1",-11.79100356916534],["c2cc(Cl)ccc2N)",-11.791025241759936],["c4cc(C)c",-11.791040751822685],["cc2)oc1-c1ccsc1",-11.791043102745286],["c(OCC3CO3)c",-11.79106245440706],["C2=NCCN12",-11.791079392414913],["▁C=C(C)C1CC=C(C)",-11.791102042638409],["c2ccc(-c3nc4cc(C",-11.791124010051634],["Nc1cc(Cl)",-11.79113486668466],["C(=O)NCc4ccco4)",-11.79115379003347],["n1cnc2cc(NC",-11.791164149472962],["C2CN(C)CC",-11.79119762310361],["nnc1C1CCN(C",-11.791227095278307],["nc(-c4cccs4)no3)",-11.791250465809304],["@H](NC(=O)",-11.791267879154129],["cc(N2CCNCC2)n1",-11.791300123134576],["c3[nH]nc(C)c32)",-11.791309943578693],["n2cc(CO)nn2)",-11.791319715477943],["▁COc1ccc(Cn2cc(",-11.791336356419954],["c(C(F)(F)F)c3cc2",-11.791423668211896],["▁Oc1cc(C(F)(F)F)",-11.791427988387982],["▁CCC(CO)Oc1cc(NC",-11.79145916870392],["C3=C(CCCC3)C2=O)",-11.791485594723037],["▁CCCCCCC1C",-11.791526755527558],["c1cc4c(cc1",-11.791542450791622],["c3ccc(OC(F)F)cc3",-11.791632550144982],["=C(NC(N)=O)NC1=O",-11.79165340497796],["(C(=O)c3cccs3)",-11.79168173485821],["/N=c1/sc",-11.791817064815644],["N=C1CCCCCC1",-11.79186933939024],["CC[C@H]1NC",-11.791965650145473],["[C@]2(C)CC[C@H]1",-11.791999510245503],["▁O=C(O)c1c(O)c(C",-11.79225038579936],["N=C(S)N(CC",-11.792264126339555],["c4c(F)cccc4F)",-11.792273893563513],["N=C1NCC",-11.79229004332352],["=C2)cc1",-11.792372938226496],["▁CCCN1CCO[C@@H]2",-11.792409336216434],["N4CCCC4)ccc3",-11.792436260631549],["sc1C(N)=O",-11.792532217288109],["C2=C(O)C1",-11.792639847051978],["c2c(Br)cccc21",-11.792643722911842],["ccc(C)c2",-11.792674110800755],["c1nc(C)co1",-11.792958721229676],["-n2c(C)ccc2C)cc1",-11.792966083999632],["c([S+]([O-])C",-11.793148203948384],["nc2sc(-c3ccccc3)",-11.793182644062249],["c(C4CCNCC4)",-11.79323484780033],["▁Cc1nn(Cc2ccc(",-11.793287597800663],["[C@@H]2[C@H]2O",-11.79338151071731],["=C(N1CC1)C2=O",-11.793401969685911],["▁OC(CC1CCCCN1)",-11.793469280215938],["c(O)c3ccccc3c2",-11.793469687289798],["C(=O)NC2=O)ccc1O",-11.793554111812362],["-c1nc3ccccc3s1)",-11.793593716894218],["▁Cc1cc(Nc2nc(",-11.793669377268492],["c2ccco2)ccc1O",-11.793713557492662],["c(N2CCC(OC(=O)N",-11.79372426909536],["c2ccc(F)cc2F)on1",-11.793781637287006],["▁OC[C@@H]1[C@@H]",-11.79380209398562],["N1C(=O)OC[C@@H]1",-11.793822004643667],["c2ncccc2Cl)CC1",-11.793904899653842],["CN(Cc2ccncc2)C",-11.7939450068554],["c3ccccc3)nc1-2",-11.793974323599391],["c1ccc(=O)[nH]n1",-11.793984038803565],["CC(O)c1cc2ccccc2",-11.79403979041614],["[C@@H]2CO[C@@H](",-11.79414605687388],["c3c(Cl)ncnc32)",-11.794236287136304],["c4ccc(C(=N)N)cc4",-11.79442707237597],["c-2c(=O)[nH]1",-11.794489428382086],["c4ccc(F)cc4)c3",-11.79454677407887],["CCCO[N+](=O)[O-]",-11.794585914596423],["CN(c2ncnc3[nH]cc",-11.794594948632737],["▁O=C1c2ccncc2",-11.79462670096105],["c3nccn3C)CC2)",-11.794715606443573],["#N)",-11.79475468272539],["1CCN(C(C)=O)CC1",-11.794836145942991],["▁CC1(C)OCC(C",-11.79484384322576],["c2cccc(F)c2c1=O",-11.795110779253076],["▁COc1ccc(Cl)c2c1",-11.795190228208911],["CC3)nc1",-11.795274390564078],["CNc1ccnc2cc(Cl)c",-11.795307695832712],["-c2csc(NC(=N)NC",-11.795339361299993],["c(N=C=S)c",-11.795470061388674],["▁CC(C)c1csc(",-11.795615291616688],["c2ccccc2-n2c",-11.79568953297465],["CCC2(c3ccccc3)",-11.795698015192702],["▁Cc1nnc(O)",-11.795759781290297],["2)NCCC3",-11.7957708028732],["c2ccc(F)c(C)c2)",-11.795793104993738],["▁CCOC(=O)C1=NN",-11.795835760876248],["=C(C(N)=O)",-11.795861734251924],["c(-c2cccnc2)nc1",-11.79586831116864],["c(O)c(CC=C)c2)c",-11.795944399298133],["c2ccccc2C1(O)",-11.79598421478568],["▁Cc1c(CN2CCOCC2)",-11.795990703627629],["c(N3CCCCCC3)n",-11.79601766520005],["c(=O)c2c3c(sc2",-11.796076776465112],["▁CNc1cc(-",-11.796090199219858],["C(O)[C@@H](O)C1",-11.796093991291029],["O)c1cn(C2CC2)c2c",-11.796170235038216],["▁Nc1c(F)c",-11.796297201244029],["1CC[N+](C)(C)CC1",-11.796307845421374],["▁Fc1cccc(CN",-11.796328005267156],["n3c2N",-11.796338189786583],["▁CCc1cnc(N",-11.796343355678689],["c(N3CCN4CCC3CC4)",-11.796407730540611],["▁CCn1cnnc1C1CC",-11.796606261563166],["▁c1ccc2c(c1)OCC(",-11.796630802294734],[")C(=O)c1c[nH]",-11.796700699424456],["▁CN(C)C(=N)",-11.796706497729916],["c(NCc3cccs3)",-11.7967456179457],["c1c(N2CCN(C)CC2)",-11.79680685421565],["cc2[nH]c(=O)c3c(",-11.796816281660211],["N1CCN(CCCCNC(=O)",-11.796922024489124],["CCl)N",-11.796930589407763],["▁C[N+]12CCC",-11.796932092120716],["n1ccc2c(OCC(=O)N",-11.797234361966783],["n(C)c4",-11.797296944440657],[")cc1[nH]c3cc",-11.797360362426994],["n[nH]c2-",-11.79736502145188],[")c1cc2c(cc1C",-11.797481065252075],["csc1C",-11.797530525411489],["cc(C)c1N",-11.797572257757285],["C(=C(Cl)Cl)",-11.797590036260775],["C(=O)N(C1CCCCC1)",-11.797603881695686],["C(=O)C3CCCN32)",-11.797754220541202],["▁NC1=C(",-11.797759920341168],["c3cncc4ccccc34)",-11.797796065753346],["c(=O)[nH]1)N1CC",-11.797922269141536],["[C@H]1CC[C@]1(C)",-11.797932338317889],["▁CCOc1ccc2nc(SC",-11.798165785144816],["nc2c(C)cccn",-11.798188734402505],["/C=N/N1CCN(",-11.798325944138606],["c1ccc(F)c(O)c1",-11.798353266685533],["c2nnc3ccccn23)",-11.798365194932163],["c1cncc(N2C[C@@H]",-11.79838214654606],["[C@H]1CC[C@]13C",-11.798418628395485],["(O)nc2ccccc2c1O",-11.79854278341332],["c(=O)c1-c1ccccc1",-11.798614537836292],["cc(F)c1O",-11.7986372986264],["ncc(Cl)c(Cl)c1=O",-11.798738263276942],["N1CCC(c2nnc(C",-11.798748000494331],["c2cc(Br)ccc2n1",-11.798764714201289],["c3nc4ccccc4nc32)",-11.798788149944947],["▁Cc1cc(F)ccc1-",-11.798897205674916],["CCN3C)",-11.798909057508345],["c3ccnc(F)c3)",-11.799023498018505],["Nc1oc(-c2ccc",-11.799064529495084],["NC(=N)N/N=C/",-11.799067004358442],["(CC(=O)OCC)",-11.7991991103745],["(OC)c(OC)c2)cc1F",-11.799305861576816],["C(=O)c2ccoc2C)",-11.79938501522946],["S[C@]12CC[C@@H](",-11.79938638444428],["/C(=C(/C#N)",-11.799448199164196],["-c2nc3cccnc3s2)c",-11.79957517557276],["CCNC(=S)Nc1cc",-11.799598937757835],["c3c2)s1",-11.799612520427004],["CC2(N3CCOCC3)CCC",-11.799874952348471],["▁Nn1c",-11.799938119852968],["[C@@](C)(OC)",-11.80008062284922],["[C@@H]2[C@H]3CC",-11.800112307468812],["▁O=c1oc(N",-11.800166642840129],["cc3)oc2c1",-11.80017176384589],["c2c(O)cc(C)",-11.800197886786185],["c3cccc4c3n2C",-11.800249458883227],["▁COc1ccc(CCN(C)C",-11.800293466448757],["cn1c23",-11.800432585504677],["c2nc(C)no2)",-11.800435117601262],["c1n[n+]([O-])c",-11.800462856781593],["▁CCOc1cc(/C=C/",-11.8005077670277],["ccc1-c1noc(-c2cc",-11.800526046694625],["C(=O)Nc1sc(",-11.80058516142876],["c2ccccc2)C=CC1",-11.800848150298611],["▁O[C@@H](CN",-11.800863689765173],["2CCC(C)CC2)cc1",-11.800982642555333],["(C)[nH]c(C(=O)N",-11.801031235175632],["▁C#CCN1C",-11.801031335062788],["C2CNC2)",-11.801045244234237],["N[C@H](C(=O)O)C1",-11.801085947165454],["c4ccc(O)cc4CCC3C",-11.801154189087663],["[nH]c3ncnc(N4CCC",-11.801280050451904],["▁O=C(O)C1CC=CCC1",-11.80131968888604],["n2CCN1C(=O)",-11.801335271392542],["[nH]c2=O)O1",-11.80138858207262],["cc3C2)c1",-11.801693512686091],["c1nc(C2CC2)c",-11.801723938112191],["N1CCC(c2nc",-11.801762102165252],["c(C2OOC(c3ccc(",-11.80176271910889],["c(Cl)nc(Cl)",-11.80207293569924],["Nc2cc(O)nc(O)n2)",-11.802185310183004],["c3ccccc3C12",-11.802507908437674],["C4=C(CC",-11.80260475636619],["c2sc(-c3ccncc3)",-11.802723591056685],["c(OS(=O)(=O)O)c",-11.802836843560613],["C3)co2)cc1",-11.802852012034323],["c2ccc(Cc3ccccc3)",-11.802896455916994],["c(-c2nn(Cc3cccc",-11.802913476127666],["CN(c2ccccn2)CC1",-11.802917322750687],["N(CC(=O)NO)C1=O",-11.802939110672336],["N1CCN(CCO)CC1)",-11.802940832840653],["▁Oc1cccc(/C=N/",-11.802951188384418],["N3C(=O)OC[C@@H]3",-11.803066500477282],["nc4ccccc24)CCC3)",-11.803232091764652],[")C(C)=CC(C)(C)N3",-11.80323332048782],["c(Cl)c2O1",-11.80364184364501],["C3=NCCCN3)",-11.80371734943806],["c3c(nc4ccccc24)",-11.803722642039716],["▁CCCc1nnc(N",-11.803776792246644],["C3(c4ccccc4)CC",-11.803882280640668],["c1cc(Cl)sc1Cl",-11.803956364972931],["▁O=C1CCCCN1",-11.803980385101362],["cc(Br)c21",-11.803998981756877],["c2ccc(=O)oc2c1)C",-11.80406479630694],["▁COc1ncnc2c1ncn2",-11.804097165844617],["=C(C#N)C#N",-11.804099586204435],["c3c(C#N)cn",-11.804174874616027],["N3CCCC3)ccc21",-11.804183365253772],["c(C(C)C)n3)",-11.804202356591446],["3[nH]c4c(c3c2)CC",-11.804350075451136],["▁O/N=C1/C",-11.804439757714276],["C2=C(CCCC2)",-11.804498021324603],["[C@]1(N)",-11.804519525044023],["2cc(Cl)cc(Cl)c21",-11.804536227217165],["c2c1CCOC2",-11.804542388678264],["2c(cc1F)c(=O)c",-11.804544315811125],["c(NC2CCCC2)n",-11.80457904749135],["c3ccc(N4CCCCC4)",-11.804786239068912],["▁Nc1nc(N)c2nc(CN",-11.804810490029327],["n3nnnc3N2)c",-11.804868600731098],["(NCCCO)n",-11.804871735852297],["ccc(S(=O)(=O)N",-11.805024087993486],["C1=C(O)C(=O)N(CC",-11.805032085628158],["c(C#N)c2)n1",-11.805062416089456],["CO[C@H]2CN(C(=O)",-11.805161221702246],["2C(=O)CCCC2=O)",-11.80530274459752],["NC(=N)NC(=N)N",-11.805493988351504],["c1cn2c(",-11.805655662939056],["CSc1ncnc2c1cnn2",-11.805684041949188],["c2nccn2C)cc1",-11.805761242976605],["c3ccccn3)cc2)cc1",-11.805798376217965],["O)=C/",-11.805812883636689],["(CC(=O)O)c1ccc(O",-11.80581344920453],["c2cn[nH]c2n1",-11.805928566694943],["c4nnc(C)",-11.805952510018011],["n2nncc2C",-11.805969767595204],["Cc1cc(=O)c(O)co1",-11.80602136625494],["ccnc(C(F)(F)F)c1",-11.806038716726151],["▁Cn1cc(Cl)c(",-11.806076604965693],["[C@@H]1CNCCN1",-11.80612948071456],["▁N/C(=N\\O)c1ccc(",-11.806172800480066],["▁Cc1cc(O)n2nc(",-11.806193955962478],["cc(Nc2ncnc3[nH]c",-11.806251209841212],["ncn(C)c(=O)c3c(N",-11.806265844079444],["N(C)Cc2ccco2)",-11.806307712393778],["c(C(=O)N[C@H]2C",-11.806313705605843],["▁Nc1no",-11.806425730654745],[")N/N=C/c1ccccc1O",-11.806563891243602],["CCC2(CC1)OCCO2",-11.806732288811324],["cc(F)c3",-11.80679887555142],["(-c2ccncc2)cc1=O",-11.806880350104056],["c1ccc2occc2c1",-11.807041284647529],["ccc3o2)",-11.80706955488832],["C(=O)O)cn3C2CC2)",-11.807094609531868],["[C@@H]2/C=C(\\C)C",-11.807111582079624],["/C=C/C(=O)O1",-11.807165273577418],["C(CC(N)=O)",-11.807266760565524],["N2CCOCC2)c(F)c1",-11.807275747725068],["c(C#N)c(N)n1",-11.807288202181144],["c2C)C(=O)N1C",-11.80741928920304],["/C=C2\\C(=O)N(",-11.80759430157349],["▁Fc1cccc(-c2nc(C",-11.80765026856491],["▁Oc1cc(CS",-11.80771469505837],["n2c(C)c(C)",-11.807797466397428],["c3ccccc3-n3cccc3",-11.8078889579791],["Cn1c(=O)c2c(nc(",-11.807890728806171],["c2cccc(F)c2n1",-11.808189469730396],["c3[nH]nc(N)c3",-11.808394575461394],["(CC(=O)NC2CCCC2)",-11.80855337014308],["c3c(ccc4",-11.808588539455318],["c3ccnc(Cl)c3)",-11.808638854745857],["▁Cn1c(N)n",-11.80867601941502],["[N+]1(C",-11.80872555504776],["c3cc(C)ccc23)",-11.808745503114348],["C(C)C)CC3)",-11.80891342943248],["▁CCc1sc(C(=O)N",-11.809074753504486],["(-c3ccccn3)nc2c1",-11.809088680250609],["[C@]1(O)CCN2C",-11.80912213790333],["oc3cc2o1",-11.80914010408123],["/N=C2\\C(=O)Nc3cc",-11.80917573127191],["c1ccc(/N=N/c2ccc",-11.809178733589444],[")C(=O)N1CCCN1",-11.80921364554331],["COc1ccc(C=O)cc1",-11.809388492061997],["c3)cnc2n1",-11.809396457329868],["▁Nc1ncnc(N",-11.809415320761524],["▁CCc1cc(CC)",-11.80953662704829],["cc(C(F)(F)F)c2c1",-11.809591573972476],["c2nccs2)nc1",-11.809607403723298],["▁Cc1cccc(CSc2n",-11.809653320422736],["CCCC)cc1",-11.809733360246526],["c2ncccc2C1=O",-11.809757612486282],["c1ccc(-c2nc(C",-11.809791786685588],["-c3noc(C4CC4)n3)",-11.809904604105505],["CN(CCCO",-11.809924976743218],["c4ccc(Br)cc4)",-11.81004990389294],["[nH]c4ccccc4c23)",-11.810051939609208],["c(-c3nnc(S)",-11.810100444156443],["c3F)c3ncccc23)",-11.810129594896429],["c(C)nc23)",-11.810149576971233],["nc(C)c2c(C)n",-11.810313584083126],["▁N#Cc1nc(C",-11.810444870263016],["C(C)CCCC(C)(C)O",-11.810482498733084],["▁COc1ccc2cc(-c3n",-11.810522252597163],["c2ccccc2)co1",-11.810524401974291],["-c1c(cc",-11.810749189156471],["ccc2n(C)c1=O",-11.810967274146703],["c2cnc(N(C)C)nc2",-11.81105818750039],["C(C)=O)c(O)c1",-11.811152381159168],["n[nH]c2C)",-11.811267738923108],["▁C[n+]1cc2c",-11.81153740017828],["▁NC1(C",-11.811541525214023],["▁O=C(O)c1ccccc1S",-11.811573212950696],["[C@@H]2O)c(=O)n1",-11.81159217871225],[")N/N=C/c1cccs1",-11.811642683289564],["CCN1c2ccccc2N(",-11.81165983565294],["▁CCCCCC(O)/C=C/",-11.811879335379636],["▁CCCCN(CC)CC",-11.811953315114565],["(CCC(=O)O)cc2)c1",-11.81200087625885],["c2scc(",-11.812107940425395],["cc3cccnc23)c1",-11.812197640565902],["▁COc1nccnc1",-11.812360763512986],["c3ccccc3c2)c1",-11.812394721568769],["Nc2ccccc2C(N)=O)",-11.812397853502418],["N(CC(O)Cn2",-11.812428422251305],["o2)C(=O)N1",-11.81256075924825],["-c4ccccc4)oc3c2)",-11.812580764384688],["c3nccc(C)n3)",-11.812628158552574],["▁c1ccc(OCCN",-11.81267752071836],["c2nc(N)nc3[nH]",-11.812737734419116],["c4[nH]c5cc",-11.812939187586595],["NC(=O)C1CCCN1",-11.813158672819654],["ccc(F)c1Cl",-11.813332369167522],["O1)O",-11.813378673129684],["c3ccccn23)n1",-11.813617624416006],["(C5",-11.813624369557994],["C[C@H](C2)N(C",-11.813626591964882],["N3CCCCC3)CC2)",-11.81365192564308],["cc(O)c2n1",-11.81378092434467],["(C)NC[C@H](O)CO",-11.813863725345572],["▁CN1CC[C@]2(",-11.81397172667768],["c3c2OC(C)(C)C3)",-11.814167870959594],["n2C2CCCCC2)cc1",-11.814186058201814],["CC(=O)OC)OO1",-11.814192351297288],["N1CCOCC2(CCN(",-11.814207027654978],["C2(C)C=C",-11.814231116233758],["c2sc(NC(=O)c3c",-11.814241330718364],["C(c1c[nH]cn1)",-11.814367949478536],["c2ccc(C3=NNC(=O)",-11.81448916237817],["C(CC1CCN(C",-11.814588203926183],["▁Cn1nc2c(c1",-11.814588419776747],["c(-c2ocnc2C(=O)N",-11.81465568098224],["[C@H]3CCCN3)",-11.81472670901459],["c2[nH]c(C(=O)O)c",-11.814819323228615],["c(N)[n+]2[O-]",-11.815016372367932],["CC(C)(C)CC(O)=C",-11.815103686474874],["▁Cc1c(Sc2ccc",-11.815172902253032],["n(Cc2ccccc2)c1C",-11.815328369178548],["=C(/Cl)",-11.815384906389646],["c1cnnc(N",-11.815460014023584],["4cccnc34)",-11.815489541920076],["C2CNC2)cc1",-11.815511335614486],["▁Clc1ccc(C2=",-11.815560712273792],["C(=O)Nc2nccs2)c1",-11.815685385999664],["c4ccc(OC)",-11.815721541287072],["C1=C(C)C(=O)c2c(",-11.81589210269495],["c2nc3n(c2",-11.815933530821638],["CNc2ncncc2-c2ccc",-11.8159656421455],["c(-c2ncco2)",-11.816017565025732],["c2C(C#C",-11.816239835110087],["▁N#Cc1ccnc(N",-11.816362551523314],["c13)CC",-11.816461572895516],["NC(=O)O/N=C/",-11.816462367360572],["N2CC3(CCN(",-11.816586838380465],["n(CCc3ccccc3)",-11.816747490193157],["c1nc(N)nc(O)c1",-11.816776679842173],["CN(C(=O)c1ccco1)",-11.816819897382755],["n(-c4ccccc4)nc3",-11.816832427874564],["▁c1ccc(Cc2ccc(OC",-11.816949950632036],["▁C[n+]1cn(",-11.81696283774452],["c(OC3CCCC3)",-11.817042734636232],["▁O=C(CCC1CCN(C",-11.81704710688218],["N1CCC2CC1c1c",-11.81721223270474],["C(C(=O)NC1CCCC1)",-11.817408093899177],["▁CCc1cc(CNC(=O)",-11.8174205916802],["n1cc(C)",-11.81743996365097],["C2C(=O)N(C)C(=O)",-11.817566092235028],["▁CC(C)(C)n1cc(",-11.817591892241689],["NC(=O)CSc1cc",-11.817598727086608],["nc3ccccn23)",-11.81761267579266],["c4ccncn4)",-11.817664389188572],[")n(C)c(=O)n2C",-11.817681074750196],["2C3CCC(C3)C2C1=O",-11.81768213554421],["c3[nH]c(C(=O)O)c",-11.817698493099115],["c(=O)n(C3CCCC3)",-11.817752185240654],["C(=O)N[C@H](C)CO",-11.817826446850717],["▁CCOc1nn(-c2ccc",-11.817924202867518],["c2onc(C",-11.818053228721688],["c(F)cc3)cc2)n1",-11.818101886438289],[")N1CCCC1Cn1cccn1",-11.81816425522305],["c1ccc(Nc2nc3cc",-11.818479682276246],["S(N)(=O)=O)sc2c1",-11.8185723155007],["[C@@](O)(C(=O)O)",-11.818735479241369],["C1Sc2ccccc2",-11.818782210817767],["-c2ccccc2F)nc1",-11.818865100813678],["nc5ccccc45)",-11.818913142456914],["ccc(OC)c2",-11.81895858660857],["1C(=O)CCCC1=O",-11.81906821266957],["2C3C4C1C1C2C3C41",-11.819076375888017],["=O)OC1CCCN1C3=O",-11.8190763784417],["c3c(N)ncnn23)",-11.819079814745908],["-n2[nH]c3c(cnc4c",-11.819080167013992],["c2c(C)nc(O)nc2O)",-11.819093113225032],["CN(c2cccnn2)C1",-11.81909701871973],["C2CCCN2c2cccnn2)",-11.819103702475235],["▁S=C([S-])",-11.819124409784653],["▁CC1(C)SC2C(N",-11.81912956484754],["c1ccc2nc3n(c2c1)",-11.81913315596206],["c2ncnc3sc",-11.819150781439555],["c1ccc(OCc2conc2",-11.81918314789322],["nc2sc3ccccc3n12",-11.819222413252245],["3(C)CCC(=O)N23)",-11.819239382222662],["c3c4ccccc4[nH]c3",-11.819242524135076],["ccc3c2C(CCC3)C1",-11.819244773991082],["n1cnc2c(O)ncnc21",-11.81927780665975],["C(C(F)(F)F)O2",-11.819353230172082],["▁Cc1c(CO)c",-11.819415066002328],["cc(NC(=S)N2CCN(",-11.819431123326138],["▁N#CC1=C(S",-11.81946405819962],["[C@@]31C",-11.819478225025303],["N1COc2cc3c(cc2C1",-11.819505274807748],["C(=O)C(C)=C2C1",-11.81954299448956],["(-c3ccccc3Cl)c",-11.819636557323602],["▁C#CCNC(=O)C1=C",-11.81965490501317],["CCN2CCCC2)c1",-11.819683900641492],["(Br)c(O)c(Br)c2)",-11.819705905910618],["O[C@H]2CN",-11.81972377487939],["c2c(=O)n1O",-11.819747248386308],["c(/C=C2\\SC(=O)N",-11.81977181638881],["c4C2(CCN3CC2CC",-11.819772499094736],["c3ncccn3)C2)C1",-11.81977916755571],["Cn2c(=N)n(C",-11.819864859189586],["c3cc(OC)ccc23)",-11.819932589500146],["3CN4CC",-11.819999406771291],["c1cc(OC)c(Br)cc1",-11.820058951299355],["N(C(=O)CC)",-11.820061984943171],["▁Cc1ccc(C)c(-n2",-11.820141693336923],["/C=C2\\C(=O)ON=C2",-11.820196908839126],["C(=O)C=C1CCC1C2",-11.820200732449718],["c2ccn(-c3cc",-11.820263368197736],["▁Oc1nc(S)n",-11.82031686811562],["C2CCCC2)nc1",-11.820332422679988],["▁Cl.N=C(CS)N",-11.820338441008683],["(Cc3cnc(N)nc3N)c",-11.820384056019618],["▁O=P(O)(O)C(O)(",-11.820386789619738],["c1nn(C)c2c1CC",-11.820404339170024],["nnc1NCCN1CCOCC1",-11.820410032707684],["Cn2c(CN3CCCC3)n",-11.820484119665354],["CCN(Cc1cccnc1)C2",-11.82054464568936],["N1CCN1CCCCC1",-11.820711028448404],["Oc2cccc(C(=N)N)",-11.820806754668308],["c(C(=O)O)cc1OC",-11.820851170775216],["N)c3cccs3)ccc21",-11.820890877830683],["N2[C@H]1C(=O)O",-11.82119591716142],["5c4C2(CCN3C",-11.821196785939808],["/C(=N\\NC(N)=O)",-11.82122327062147],["c(C)n(CC2CCCCN2C",-11.821227737159848],["N2CC=CCC2)",-11.821270484612493],["c1nnc(NC(=O)c2cc",-11.82134934567042],["C(=[N+]=[N-])",-11.821439374958588],["CN(C(=O)NC(C)C)C",-11.82145041594261],["(OC)c2c(=O)c",-11.821450459226584],["▁O=CN1CCN(",-11.821477265094336],["[C@@H]5O",-11.821489631903],["c(C(=O)O)cc2)c1",-11.821531287347096],["[C@@H](N)C3)",-11.821549695626285],["▁C1CCN(",-11.821615286363096],["▁C#CCCCn1c(",-11.821623343597857],["N2CCCC(CO)C2)",-11.821681164475738],["Cl)N1CCn2c(nnc2",-11.82181981046487],["@H](O)CC(=O)O1",-11.821925677029128],["c1nccc(N2C",-11.821931510997675],["c2cc(CC(=O)O)c",-11.821958098359064],["c2cc(C)c(",-11.822039876316865],["▁Nc1ncnc2c1ccn2",-11.822143184613946],["c(N2CC[C@@H](O",-11.822291187900378],["▁CC(C)(C)c1nc(C",-11.822371070295958],["▁CCCNC(=O)N1[C@",-11.822459752019348],["cc(Cn2ccnc2)c1",-11.822495736306442],["CCCn1cncn1",-11.822576859193507],["c1ccc2cccc3c2c1",-11.82259531687381],["[C@@]4(C)[C@@H]2",-11.822607664215772],["CN1C(=O)c2cccnc2",-11.822855601074552],["c([C@H]3CC[C@H](",-11.82303883059005],["c2cc(-c3cccs3)o",-11.82308780173584],["C/C(C)=N\\N",-11.823315006557122],["[C@H]2CCN(C",-11.823352127000549],["c2ccc3cc(",-11.82336449993915],["Cc1c(O)ccc2c(=O)",-11.823372760408583],["C2(Cl)Cl",-11.82343761541486],["NC(=O)Cc2ccc",-11.823475534190106],["CC[C@H]4[C@@H]3C",-11.823512997389564],["c(N[C@@H]3CCNC3)",-11.823543627260054],["c1c(n2C)C",-11.82356702048616],["CCc2c(cccc2OC)C1",-11.823619219178138],["c2nc(C)c(C)nc2C)",-11.823624326124769],["[C@]2(C)[C@H]3CC",-11.823731766235444],["ccn2n1",-11.82384266172372],["nc(-c3ccco3)c2",-11.823905842330763],["/C=C1\\C(=O)O",-11.824026179148644],["NCc1coc(-c2ccc(O",-11.824031944740565],["▁N=C(N)NC(=N)N",-11.82411874789372],["(c2ccccc2)CCOCC1",-11.824133653942445],["/C(=N\\C#N)N",-11.824172894362464],["c3cc[nH]cc-3n2)c",-11.824200606939725],["c1ccccc1-n1cccn1",-11.824219590930008],["H]3[C@@H](CCC4C",-11.824282806008972],["c2c1CCNCC2",-11.824316312825983],["c3ccc(C4=N",-11.824354607528049],["▁COc1c2ccoc2",-11.82438172150736],["COC(=O)Nc1ccc(NC",-11.824394649001432],["c2ccccc2)c1F",-11.82448819845397],["CCc2ccccc2)ccc1O",-11.824691890721477],["(NC(=N)N)cc2)",-11.824761019246148],["[nH]c3ccc(C(=O)N",-11.824765743603454],["c(-c3ccc(OC)nc3)",-11.824786918634643],["▁CC1C(=O)C",-11.824790506977216],["▁C=CCc1ccc(OCCC",-11.8247981149914],["C(O)C(O)C(O)CO)",-11.82481071938716],["c3ncccc32)cc1",-11.824986555195236],["C[C@@H](N)CS)",-11.825051624858498],["(OC)OC)",-11.825092300363268],["(=O)n(C)c(=O)n(C",-11.825149374921445],["▁O=C(NCCCNC(=O)",-11.825193608055567],["c(-c3c(F)cccc3F)",-11.825287561453305],["▁CCS(=O)(=O)N(C",-11.825324738655118],["▁Nc1nc(Cl)cc(NC",-11.82539940661595],["/C(=C(\\C)Nc2cc",-11.825424452714262],["▁CCc1cnc(N2C",-11.825449934043569],["▁Cc1c2cc[n+](C",-11.825633275692],["▁O=C(CCc1ccc(-",-11.82584283097267],[")N1CCC(c2nc",-11.825854865489532],["Cc1nnc2n1CCN(C",-11.825887150691475],["c2cc(Br)ccc2N1",-11.826043339154303],["(-c2ccco2)c",-11.826120067702366],["c3cc(-c4cccnc4)",-11.826246286053944],["[C@@H]2CCCN12",-11.826292175051126],["CC#CCCC(=O)C(O)(",-11.826348493543096],["▁CCCOc1ccc2c(c1)",-11.82647008272735],["▁COc1nc(NCCc2ccc",-11.826499604993064],["c1nc(-c2ccc(OC)c",-11.826612644353904],["▁CC(CN1CCCCC1)O",-11.826622073959236],["c3nc4n(c(=O)c3c2",-11.826660094545275],["N3CCC[C@@H]3CO)",-11.82666644728654],["C[C@](C)(N)",-11.826697612360306],["[C@H]1CC[C@]3(C)",-11.826758735710984],["c(C)oc2c1",-11.82680444166038],["[C@H]2C[C@@]3(",-11.826854318805712],["OCCNC[C@@H]1CO",-11.826999518010425],["▁CC(=O)O.N",-11.827017241172998],["[nH]c1=S",-11.827044684511828],["2CNCCN2",-11.827057908917066],["1CCCN(",-11.827076325777805],["c2c(-c3cccs3)c",-11.827230000857952],["C(=O)c1c(N)n(C",-11.82724917634341],["NC1=NCCC1",-11.827302920848938],["n1c(=O)n(-c2ccc",-11.827380207733896],["c4ccc(F)cc4)cc3",-11.827398680536865],["C3CC[C@]12C",-11.827517456077375],["OC(c2ccccc2)=C",-11.827531746662496],["c1cn2c3c(cccc13)",-11.827684553292755],["▁CCc1cc2cc(C(=O)",-11.827725063601022],["(=O)C=[N+]=[N-])",-11.82791020979722],["c2ccc(Br)cc2c1=O",-11.827971987617646],["▁CC(C)(O)c1cc",-11.827987299525912],["CCN(Cc1cccs1)",-11.828057097846797],["c1oc2ccccc2c(=O)",-11.828076536960282],["Cn1cc(Cl)cn1",-11.828143219291857],["=C3C=C",-11.8281593171033],["1CCN(CC2CC2)CC1",-11.82817584150329],["c1nc(-c2ccccc2O)",-11.828312142629214],[")\\c1ccccn1",-11.828327990076325],["▁CCN1CCN(c2nc",-11.828328315237933],["CN(Cc2ccccn2)C",-11.828346995682727],["=C1CCCCC1",-11.828430079826482],["OC[C@@H](O)CN",-11.8286784610409],["C[C@@]31",-11.82883741709136],["▁Brc1cnc",-11.828885021897216],["c(N4CCOCC4)c3)",-11.828928505918908],[")c1ccc2cccnc2c1O",-11.829018528016654],["C1=CCNCC1",-11.829046980931825],["c(NC(=O)NCCCl)c",-11.829178661961029],["▁N#C/C(",-11.829211241918824],["CCc3ccccc3)c2c1",-11.829351372000357],["c2ccc(O)nc12",-11.82935210794088],["[C@H](C(=O)N(C)C",-11.82956911736013],["c2ccccc2I)",-11.82956940214141],["/C(=C\\c2c[nH]",-11.829621118449854],["▁O=Cc1ccccc1-",-11.829733037265338],["c(C3CCC3)c(O",-11.82976113455752],["c1c(F)cc(F)cc1F",-11.829780186443308],["▁OC[C@@H]1N",-11.829790104044855],["CC1(O)CCCN(C",-11.830020752557282],["C2=O)c(O)c1",-11.830056043806916],["c1cc(C(N)=O)n",-11.83012851222354],["▁CCn1nc(C(=O)N",-11.830193096271817],["N)c(Cl)cc1C(=O)O",-11.83026376094865],["c1cccc(F)n1",-11.830278585351124],["c(C3=N",-11.830283366068914],["▁O=c1c(Cl)c(",-11.830348585921737],["c2C=O)cc1",-11.830360923027111],["Cn1cncc1C",-11.830428925711912],["(=O)c2ccccc2n(C",-11.830582469430151],["c2c(=O)n(-c3ccc",-11.830647972310684],["c2c(O)c(O)ccc2",-11.83073319521536],["CSc1nnc(N)s1",-11.830765716526129],["C34CC",-11.830834995640087],["c(F)c2c1=O",-11.83084629037177],["C2C3C=C",-11.830897958690432],["nc3cc(OC)c(OC)c",-11.831006419892478],["C/C=C1/CC(CO)(C",-11.831313473753635],["Nc1ccccc1N1CCCC1",-11.831355343116131],["CN2CCN(c3ncc",-11.831408264626535],["N1C(=O)CSC1=S",-11.831417064685771],["▁Cc1ccc(/C=C2\\C",-11.831468522394248],["Nc1cc(-c2c",-11.831478375025888],["n2c(C)cnc12",-11.831604227679914],["▁O=C(CCCC1CCN(",-11.83175110027609],["▁Cc1c(C)c(C)c(",-11.8318732700033],["nc(S)nc1O",-11.83191809602598],["c3ccccc3)CC2)cn1",-11.832009950579907],["C2=CC[C@H]3",-11.832033659555377],["N(CCCOC)",-11.832154066683174],["cc3ccccc32)oc1=O",-11.832162009063197],["=C2C=CC=C",-11.832181603626989],["c(CN2CCO[C@H](CO",-11.832194284886134],["c2sc(C)nc2C)",-11.832196955687868],["[C@@H](CS)C(=O)O",-11.8322226404066],["SC(=S)N(C",-11.83225637783498],["OCC1CN",-11.832265694232746],["/C=C/C#N)cc1",-11.832407483279628],["▁CCCCCn1c(C)c(",-11.832483158161462],["(c3ccccc3)O2)cc1",-11.832531266988926],["[C@@H]2CN3CC",-11.83256768397683],["[nH]c4c3)",-11.832623883025068],["▁Cn1cc2c(n1)",-11.832677431090158],["Sc1nnc(-c2cccs2)",-11.832731627184607],["N(c3ccc(C)cc3)",-11.83275163384711],["▁N#Cc1c(N)nc2c(",-11.832789773617362],[")C[S+]([O-])C2",-11.832795905128297],["▁O=C1C=CC(O)(",-11.832863071931842],["c(=O)[nH]c1C",-11.8328922733123],["▁NCc1cccc(C",-11.83298589886749],["c2cc[n+]([O-])c",-11.83302729640492],["N(C)C(=O)c1c",-11.833116400710171],["c2ccccc2)CC3)c1",-11.83327341628865],["F)CN",-11.833329443063215],["c1cc(O)c(O)cc1O",-11.833358105846932],["▁Cc1n[nH]c(N",-11.833395661697631],["[nH]c3ccccc34)",-11.833479697021009],["nc(C#N)nc2",-11.833550498874668],["nc2ccnn2c1",-11.83358949529811],["▁Cn1cccc1/C=N/",-11.833645159363506],["[C@@](C)(O)CO)",-11.833671833516064],["c3nc(O)ccc3c2)",-11.833781755665282],["N3CCOCC3)CC2)cc1",-11.833803656028866],["c3ccccc3)cc2N1",-11.833894333047583],["CCNCC(O)c1ccccc1",-11.833914888139711],["C1=CC(=O)C=C",-11.833983715124871],["▁CCCn1c2ccccc2",-11.833992412742592],["(-c4ccccn4)c",-11.834375496515124],["c1c(C(N)=O)sc2nc",-11.83438901231969],["N3C2=O)cc1",-11.834514258151216],["c2c(O)c(O)c",-11.834624324943366],["N(Cc1ccco1)C",-11.834791041041925],["O/N=C(\\c1ccccc1)",-11.834867273716023],[")N(c1ccccc1)",-11.834973147832205],["c1cncc(-c2cc(",-11.834977290104646],["(C)N([O])C",-11.8349814303262],["CC2CN(C",-11.83504246175848],["c2oc(C(=O)O)c",-11.835119834387342],["▁CCOC(=O)c1cnc(S",-11.835206162645065],["N(C)c2nc(C)nc3cc",-11.835206372340242],["C(C(=O)O)N1C(=O)",-11.835227593567884],["c(N)c2C#N)c1",-11.835294833732217],["C1Oc2ccccc2",-11.83530060713909],["1CCCC(C)C1",-11.835326895496948],["▁C=CCNC(=O)C(",-11.835347087588875],[")CC3)nc21",-11.835412364717383],["/C(C#N)=C1\\",-11.835420569968797],["c1ccc(OCc2nnc(SC",-11.835463947645422],["C(=O)NCC1CC1",-11.835551330629924],["c3ncc(-c4cc",-11.83564020163564],["c2cc(F)c(F)cc21",-11.83602683022051],["OC(C)(C)C1O",-11.836053260473424],["CCn2ccnc2C)",-11.836158145845252],["c3ccc(-c4cnc",-11.836261427647573],["c(-c2c(C#N)c(N)n",-11.836288056332418],["n2nc(-c3ccc",-11.836582120032006],["▁Clc1cncc(",-11.836640913920728],["c4cc(Cl)c",-11.83665710025071],["c2cccc(OC(F)F)c2",-11.836701690929669],["c1c3ccccc3n",-11.836729522749298],["1CCN(c2nccs2)CC1",-11.836795197159294],["H](O)[C@@H](O)",-11.836822197592229],["▁Cc1cc2c(o1)",-11.83688577896132],["c3c(S)ncnc32)",-11.8369053966086],["c2cc3c(nc2",-11.836913861788414],["CSc2nc3cccnc3",-11.836947568943422],["[C@@H]1C[C@H]1CN",-11.836959325899844],["(=O)C1CCC(=O)N(C",-11.837005272403374],["c1cc(Br)ccc1F",-11.83708685603284],["(OCc4ccccc4)",-11.837286330977692],["nc2nc(C3CCCC3)",-11.83732447767934],["[C@H](CC[C@H]12)",-11.837379701174717],["▁O=C1C(=O)c2c(",-11.837385206651074],["▁CCCCCCn1c(",-11.837421129741244],["▁Cc1nc(N)nc2c1c",-11.837437442203235],["c(-c3cccnc3)c2)",-11.837456079225332],["c(-c2cnc(",-11.8374571950439],["▁CCc1cc2c(=O)",-11.837513976912842],["Oc1cc(O)cc(/C=C/",-11.837533973427538],["c1[nH]cnc2",-11.837542852303809],["▁COC(=O)c1nnn(",-11.837594526411126],["@@",-11.837639741810444],["n(CC(=O)O)c(=O)",-11.837648736318732],["c1ncc(-c2c",-11.837796464216575],["N1CCC(n2nccc2N",-11.837803381484957],["c3ccc(CC)cc3)",-11.837927946776398],["▁CN1C(=O)c2c(",-11.83793123862542],["nc(N2CCOCC2)oc2c",-11.83794492920122],["[nH]c(=O)c1C#N",-11.837956455027646],["nc1-c1nnc(N",-11.83798040221813],["▁Cc1cnc(Nc2ccc",-11.838001644054412],["C1CCCc2c(-c3cc",-11.838044089294192],["c2c(N)ncnc2n1",-11.838242314044855],["NC2CCCCC2N",-11.838290709625136],[")N(C)C2=O",-11.838312827655582],["c(C2OOC(c3ccc(C",-11.838397553389331],["[C@H]3F)",-11.838400968895176],["sc2nc(-c3ccccc3)",-11.838494754121092],["▁Cc1cc(C(=O)CS",-11.83855192884044],["c(-c2nn3c(-c4c",-11.8385918596914],["(O)[C@H](O)CO)c",-11.838620449793671],["CC1NCCc2ccccc21",-11.838639647784763],["c4ccccc4n3C)",-11.838706762711409],["CC(O)C(=O)O",-11.838724679237126],["noc2C)",-11.838733554659695],["=Nc2c(O)[nH]c3cc",-11.83876823575915],["▁Cl.NC(C",-11.838828272736338],["[C@]1(CC)C",-11.838970605972154],["(OS(N)(=O)=O)",-11.839086843787292],["c2nc(N)nc(O)c2",-11.839272029178948],["c(/C=C3\\SC(=O)N",-11.839279951830337],["cc(OC)c(OC)c2OC)",-11.83928549058351],["c(C)n2)n1",-11.839412533533723],["▁Cn1cc(Br)c(",-11.839548138923927],["c3ccccc13)CC2",-11.839630236458946],["1CCCCC1)C1CCCCC1",-11.839679561699985],["C4(O)CC",-11.83977174155277],["▁c1ccc(CN2CCC(N",-11.83978761521792],["[C@H](F)C3)",-11.839897899655526],["C(P(=O)([O-])O)",-11.840067735173502],["▁Nc1nc(N)nc(",-11.840128072190126],["CC/C(C)=C/C=C/",-11.840137228751228],["NC(=O)CSc1nnc(C)",-11.840149860221928],["▁CC1CCc2c(sc3n",-11.8401619894688],["C1=NOC2(C",-11.84017840694155],["C(=O)N3CCC[C@H]3",-11.840529704641046],["-c2c(C)[nH]c(=O)",-11.84053133851958],["[C@H]2/C=C(\\C)C",-11.840564283815365],["▁N=C(N)Nc1cccc(",-11.840587204984285],["OC3(CCCCC3)O",-11.840635116558207],["▁Clc1ccccc1-c1nn",-11.840721209352289],["[C@@H]2C[C@@H]3",-11.840808370652326],["c1csc(NC(=O)N",-11.840821108534762],["c1cc2cccnc2",-11.840904019775127],["(O)c2ncc(C",-11.84091430358399],["c(O[C@H](C)",-11.840927986740484],["c2nc(C(C)C)no2)",-11.840984570178083],["CC)nc2ccccc21",-11.841383080029294],["c3cccnc3N)",-11.841390474759269],["▁O=C(Nc1nc(-c2cc",-11.841425913356154],["(O)[C@H]2O)c(=O)",-11.841431255773587],["c2cc3ccccn3n2)",-11.841520505006946],["c1nc(O)c(C#N)c(",-11.841548363113834],["3CCN(Cc4ccccc4)",-11.841640411545708],["c2c[nH]c(N)n2)",-11.841811513335708],["OC(C)(C)OC3",-11.841967705706637],["c2cncc(-c3ccc",-11.841984194656186],["▁c1ccc(CCN2CC",-11.842027534340335],["c1c(C)c(O)c",-11.84212956156338],["▁Ic1ccc(",-11.842163332047871],["▁COc1cc(NCCC",-11.842243457969154],["▁CCCOc1cc(",-11.842407026744365],["C(C2)N1",-11.842506922481968],["▁Cc1cc(N2C(=O)",-11.842733703759931],["▁Cc1nc(-c2cccc(",-11.842781925407754],["N1CC[C@@](O)(",-11.842853720594574],["C(=O)N=C2SC",-11.843034838480422],["n2cccn2)",-11.843099277511374],["c2nc(NC(=O)c3c",-11.843262509002155],["c2ccc3c(c2[nH]1)",-11.843276370979058],["c2c(-c3ccccn3)c",-11.84335277783536],["▁Cc1ccc(-c2nnc(S",-11.843413461061752],["c2cnc3ccccn23)",-11.843466189816947],["c32)cc(OC)c1OC",-11.843475980012546],["N2CCCC2Cn2cccn2)",-11.8434800058238],["N1CC(=O)N2CC",-11.843501323962784],["NC1CCCc2ccccc21)",-11.843557172955917],["cccc4o3)nc2",-11.843716119657271],["CN1C(=O)NC(C)(",-11.843753486902536],["c2cccc(F)n2)",-11.843795895724718],["#N)c(C(F)(F)F)c1",-11.84380172441436],["▁NCCCCNCCC",-11.843820133587444],["c1ccn2c(-c3cc",-11.84403238111118],["[C@@H](N)C(C)C)",-11.844079488628644],["=C(Cl)C1=O",-11.844082615244323],["3CCCCC3=O)",-11.84455441688932],["▁Brc1ccc2[nH]c",-11.844623749032484],["▁CCCCCC1C",-11.844647422698367],["c1onc(C)c1",-11.844666511186198],["(O)c(O)c(C(=O)O)",-11.844704293357708],["-c2ccc(Cl)cc2)s1",-11.84472144418292],["N(CC#N)C(=O)",-11.844770045172634],["▁Nc1nccc(N",-11.844785758251897],["n3)cc2)n1",-11.844823737575355],["n2cc(Br)",-11.844976366627389],["C(=N)N)cc1.Cl",-11.845074431105695],["C2c3ccccc3C1",-11.845078221453818],["C(O)C(CO)O",-11.845113753293113],["[C@H]1CCCO1)",-11.845188128927685],["c2csnn2)",-11.845299489930763],["C(=O)NCC2CC2)cc1",-11.845312318268588],["c1c(Cl)ccc(Cl)c1",-11.84539088969994],["▁CN(CC(=O)Nc1ccc",-11.845455921600822],["▁N#C[C@@H]1C[C@",-11.845615300374458],["c1nnc(C2CC2)s1",-11.845633195086528],["C(=S)N2CCCCC2)",-11.84573946681297],["c3c(C(=O)O)c",-11.84578874936596],["oc2ccc(O)c(CN",-11.84593946068625],["▁NCCN(C(=O)",-11.845988227735967],["C(C(=O)O)N(C)C",-11.84603877129631],["C[S+](C)C",-11.846157124142344],["c2ccc(Br)cc2)no1",-11.84617354844477],["(C2=NCC(",-11.846437223754132],["c(C)c(C(=O)OCC)",-11.84645883376239],["1CCC2(CCN(C",-11.846527684112758],["c(OCCCCC",-11.846548205335775],["c(C)[n+](C",-11.846605176500312],["[C@@H]3CCN(C",-11.846723978014076],["▁C[C@H](Nc1nccc(",-11.846777197783398],["C1=NCCO1",-11.846991109293096],["c2cc(Cl)ccc2F)",-11.847107928115268],["c1ccc(-c2ccc(CNC",-11.847349577105376],["C)c3cc(OC(=O)N",-11.847367866156697],["[C@H](C2)N1",-11.847431053077653],["▁Nc1nonc1C(=O)N",-11.847501411406196],["▁CCCCCn1c(=O)c(",-11.847535742479764],["Cc1cc2ccccc2nc1-",-11.847611828442574],["c(=O)c1ccccc1n2C",-11.847634193103609],["3c(cc2F)c(=O)c",-11.847692631738564],["c2c(c1)oc1c(N",-11.847872343960006],["nc2N)c1",-11.847960519398768],["(C2CCC2)ccc(-c2",-11.84798044682773],["c2cc(-c3cccnc3)n",-11.8480661697935],["2c3cccc4c3c(cn4C",-11.848294943460946],["(-c4cccnc4)c",-11.848305314743923],["c1ccc2nccn2c1",-11.8483646624809],["/N=C/c3ccccc3O)",-11.848403060942449],["noc(C2CN=CNC2)n1",-11.848488212611665],["c3c(Cl)cncc3Cl)",-11.848488413661702],["▁C#CCN(CC#C)",-11.848489134774898],["C[C@@H]3N4)cc2)c",-11.8484902621975],[")[C@H]3C1)OCO5",-11.848491575211096],["O/C(O)=C1/C(C)=N",-11.848492171756488],["[S@+]([O-])",-11.848519801085564],["c(N4CCOCC4)oc23)",-11.84854463905808],["▁COCCn1nnnc1C(",-11.848545345908049],["C2=C(C)NC(=O)NC2",-11.848558811197377],["3oc4c(c3c2)C",-11.848569907876357],["▁NCCO.O=C(O)",-11.848586132552246],["C12NC(=O)NC2=O",-11.848601168458345],["C(N1CCN(C)CC1)=N",-11.848615042094128],["c3cc(O)ccc23)",-11.848625059719494],["▁Cc1cnn(CC(C)NC",-11.848643699772571],["Nc1n[nH]c(=S)s1",-11.84865651864549],["[nH]c2c1)CCCN3",-11.848671230310616],["(C(=O)O)=C(Cl)CS",-11.848735944607032],["c3ccncc32)",-11.8487454794004],["OC)c(O)c1",-11.848749089339517],["cc3c2n(c1=O)CCC3",-11.848750428387472],["c3c(C)[nH]",-11.848817980838133],["Cn3c2nc2c3c(=O)",-11.848832980304852],["C(=O)N1CCOC(=S)N",-11.848865930862823],["C(=C(Br)Br)",-11.848879106518453],["▁O=c1cc(CO)oc(C",-11.848951706484048],["1CN3CCC1CC3)",-11.848967245295007],["Cn1cc(C#N)",-11.849090838966942],["c1nc2ccc(O)nc2n1",-11.849114169656826],["c3nc(-c4cccnc4)",-11.849125760778437],["1OB(O)c2c(OCC",-11.849156647047767],["/c1=C\\c1ccc",-11.849158121067262],["c3c4cc",-11.849188044329658],["C4=CC(=O)CCC4=C3",-11.84919969523257],["c(OS(N)(=O)=O)c",-11.849237234965106],["c3ccc(C)c(F)c3)",-11.84936193994449],["▁Clc1ccc2[nH]c",-11.84937053186938],["▁Cc1nsc(N",-11.84947202967363],["▁CCCCCCCCn1c",-11.849554426327884],["CC2CC1C2(C)C",-11.849603033313166],["NC(=O)/C(=C/c2c",-11.84961273150961],["▁Cc1cccn2cc(C",-11.849717189824482],["3CCS(=O)(=O)CC3)",-11.849841441909172],["2CN3CCC2C3)n1",-11.85013476217576],["(=O)N(C2CCCC2)C1",-11.850198666765682],["NC(=O)C(C)c1ccc(",-11.8502033534995],["c2ccc(OCCN(C)C)c",-11.85025924962794],["▁CCCn1ncc(",-11.850315230539112],["▁O=c1c(Br)c",-11.850356045727434],["CSc1nnc(C2CC2)n1",-11.850469192249454],["(NCc2ccccn2)n2nc",-11.850544659414934],["C(C)(C)S[C@H]12",-11.85054798303515],["1CCC(CNS(=O)(=O)",-11.85060536135655],["C[C@H]1C[C@@H]21",-11.85062690907542],["c1c(C#N)cn",-11.85063152357188],["[nH]c(=O)n3C)n2C",-11.85065755836454],["c2)n[nH]1",-11.850672963950664],["C(N)=N2)C2(COC2)",-11.850711190818473],["O)nn1Cc1cc(Cl)c",-11.85072797319788],["C3(C2)C",-11.850756685570456],["c2cc(-c3cn(C",-11.850772767790424],["▁Oc1[nH]c(N",-11.850824973993502],["[C@@H]2CCC(=O)N2",-11.85094142447392],["3CC=CC3)",-11.85095525097652],["CSCCC(N)C(=O)O)",-11.851119951612617],["N2C[C@@H]3OCCN(C",-11.851350015926522],["3CCC4(C",-11.851372752841977],["P(O)(O)",-11.85138995755582],["(=O)c(C(=O)O)c1O",-11.8514893693416],["c(N2CCCCCC2)n1",-11.85150029342672],["[nH]2)c(C)c1",-11.85151202762555],["1CCCC2(CCN(C(=O)",-11.851563844840356],["N2CCCC2)n1",-11.85157176776718],["ccc1OCC(N)=O",-11.851585404250985],["CS)C(=O)N[C@H](C",-11.851620778198807],["C2(c3cccs3)",-11.851637352806293],["(C(C)=O)ccc1OC",-11.851647697281786],["C[C@@]32C)O",-11.851855591568803],["N2CCO[C@H]3CN(C",-11.851922276594502],["▁O=C1c2ccsc2",-11.851974926035735],["n3cc(C)cn3)",-11.852028468009864],["CCC3)n1",-11.852111932208144],["c1ccc(=O)n(C)c1",-11.852137311003942],["C(C)NC(C)=O)",-11.852204090992064],["Nc1cc2[nH]",-11.852258680681732],["▁Cc1nc2cnccc2n1",-11.852288358451135],["c4ncccc4c3)c2n1",-11.852346430459562],["c1cc(F)c2c(c1)",-11.852419012267353],["[C@@]2(c3ccccc3)",-11.85243704282982],["C2=COCCO2)",-11.852449376782705],["N2CCCC(C(=O)",-11.85253153627318],["c1c(C)nn(C)c1",-11.852556057576711],["N(Cc1ccc(F)cc1)C",-11.852574292563528],["3CS3)cc2)cc1",-11.85258795751067],["nc2sc3c(c12)CC",-11.852592679318082],["nc(SCC#N)",-11.852673555801998],["OC(Cn3cccn3)C2)",-11.852779660164064],["Oc1cc(O)c2c(",-11.852847985931485],["c1cc2[nH]ncc2cc1",-11.85287895632482],["▁Cc1ccn2c(C(=O)N",-11.852898968655628],["(CCc4ccccc4)",-11.852949132077864],["C[C@H]1N(C)C",-11.852976741524616],["c1cc2c(s1)CCC2",-11.853048978100212],["▁Nc1nc(N)c2c(C",-11.853142897923943],["4c(cc32)OCO4)cc1",-11.85328898235835],["O)O[C@H]2[C@H]1O",-11.853377707127365],["n(C3CC3)c2",-11.853571844456594],["c4ccc(Cl)cc43)",-11.85366319662246],["3c(=O)oc4ccccc4",-11.853924981977196],["(N4CCSCC4)",-11.853927792984264],["ccc2c1Nc1ccccc1C",-11.853930723295584],["▁CCc1nc(C)cn1",-11.85395040920374],["NC(=O)CSCC(=O)N",-11.853987549480571],["1CCc2onc(",-11.854049055330451],["1)[C@@H]32",-11.854163926461462],["[C@H]2C(=C",-11.854192766198308],["c(OCC=C(C)C)c",-11.854200931043009],["c2c(nc3n2CCCN3",-11.854475858469986],[")c1csnn1",-11.854563355886452],["c1nc(N)nc2nc",-11.854574171591214],["COc1ccc2c(",-11.8545925744465],["c3cnccc23)c1",-11.854607536663492],["2C=CC=C",-11.854765925255718],["CN(Cc2c[nH]",-11.854881411231329],["▁O=C1C(C(O)",-11.854931159575422],["([C@@]3(C)N=C(N)",-11.854975798953223],["c1nc2nn(C)cc2c",-11.85503497382128],["COc2ccccc2)CCN(C",-11.855080631439362],["ccc32)c1=O",-11.855135366566437],["[C@H]2CCCN2)",-11.855256940414124],["▁O=C(NCCn1ccnc1)",-11.855371092158094],["-n3nn",-11.85543042568044],["O)nn3)",-11.855452071641327],["3CCCC[C@H]3[C@H]",-11.855455680078029],["C(O)C(O)CO",-11.855526985778594],["N=C(c2ccc(N)cc2)",-11.855588932250615],["C2CC=CCC2)",-11.855606141118711],["c2noc(-c3ccccc3)",-11.855657415805805],["C(=O)N2c2cc(OC)c",-11.855777650668054],["C1=NC2(CCCC2)",-11.85578257376878],["c(Cl)c2)nc1",-11.855884893435796],["N(CCN1CCOCC1)C",-11.85593657692478],["c3cn(C)nc3C)",-11.855961224128396],["2c(c1OC)",-11.856051211370648],["c(Oc2cncc(F)c2)",-11.85612471082284],["-c3nc4ncccc4o3)c",-11.856178791498431],["(C(F)(F)F)cccc2",-11.85623026840756],["c(-c4cccc(N)c4)",-11.85639415778433],["cc(C)c(=O)[nH]",-11.85643918879255],["(OCCOC)",-11.856444181608468],["c2c3c(nc",-11.856463959743405],["c1c(OC)cccc1OC",-11.856624862382654],["CN3CCC[C@H](CN1C",-11.856625686313135],["▁COc1ccc2nc(SC",-11.856630264997214],["▁CCCc1nnc(SC",-11.856921011291002],["▁CSc1nc(C)cc(",-11.857097918252316],["N1CCC(c2noc3cc",-11.857112340541718],["c4ccccc4F)C3)",-11.857128813394969],["n3cccc23)cc1",-11.857176309972951],["C[N+]2(C)CC",-11.857181595404697],["n1c2c(ccc1=O)CC",-11.857197710715766],["c1cccc(-n2cccn2)",-11.857251898309782],["c1ccc(-c2cnc(",-11.85737386033778],["▁NP(=O)(O",-11.857603368199907],["c1cn(C)cn1",-11.85760364810691],["C(=C2C(=O)",-11.857650995130882],["OC(=O)CCCCCCC",-11.857656291876395],["▁O=C(CSc1nnc(CN",-11.8577584426695],["▁CCOc1cccc2cc(",-11.857773057265762],["c2ccccc2CN(C)C)",-11.857803664414488],["c(-c2nccnc2C2CN(",-11.8578850727606],["[C@H](C)NC(C)=O)",-11.857896694763848],["OC3=O)cc2F)",-11.85792270882174],["▁Oc1ccccc1-c1n",-11.857991522600678],["c2c(C)cccc12",-11.858037501941489],["▁CCOc1cccc(/C=N/",-11.858089128382478],["▁O=C(NNc1nc",-11.858109821057838],["N1C2CCC1CC(O)(",-11.858114549482645],["(CCCc2ccccc2)",-11.858152240205731],["CCCCc2ccccc2)C1",-11.858267248756531],["▁COc1ccc(C=O)cc1",-11.858388552063303],["▁O=c1oc(-c2ccc",-11.85856478015988],["▁Cc1nn2c(-",-11.858639247131729],["c(O)cc4",-11.85868568421347],["c(Cn4ccnc4)c",-11.858990580477142],["(NC(=O)CCC(=O)O)",-11.859293620934778],[")c1ccc(O)nn1",-11.859339695435152],["nc(N)c(C(=O)N",-11.85938487310326],["nc(-c2cccs2)no1",-11.859408911902989],["sc(-c2ccncc2)nc1",-11.859413422391082],["c1ccc2c3c1",-11.859534556664205],["c(Nc2ncc3c(n2)",-11.85954221239726],["3c2COc2ccccc2-3)",-11.859551375470565],["nc3n(c(=O)c21)CC",-11.859570787953064],["c(C)c(C(C)=O)c1C",-11.859630520294472],["/N=C/C=C/c1ccco1",-11.859774907563182],["c2c(OC)cc(OC)cc2",-11.859814990974089],["4CCCC4)cc3",-11.859828792221672],["Cc4ccccc43)CC2)c",-11.859898882777706],["2CCc3c(",-11.859919881992775],["c2cc(O)ccc2O1",-11.85998972960886],["c1ccc(-n2nncc2",-11.860021156094891],["2CCCCN12",-11.860040543488292],["sc1C(=O)/C=C/",-11.86007055232127],["3ccccc3o2)CC1",-11.86011158207268],["[nH]c3cccnc23)",-11.860126506387925],["c2ccccc23)CC1",-11.860287420581738],["cc(Nc2nc3c(-c4",-11.860328261322069],["c(-n2[nH]c",-11.860376907641475],["▁Cn1cnc2c1CCN(C",-11.860381280498611],["N1N=C2c3ccccc3CC",-11.860432855031064],["C(C)NC(C)=O)cc2)",-11.86048887316512],["(C(C)=O)C(C)=O)",-11.860602685159026],["C12CCN(CC1)CC2)",-11.860625528506244],["nc(Nc4ccccc4)",-11.860692739648934],["N1CC[C@]23c4c",-11.860714859523082],["▁O=c1oc2cc(OC",-11.860756754828286],["(CNC23CC4CC(CC",-11.86089216477318],["c1ccc(OC(F)F)c(O",-11.860914599256963],[")NC1COc2ncccc21",-11.860959963517551],["C2(CC(=O)N(",-11.861005470453875],["▁Cc1nc2ncnn2c(",-11.861201671014571],["▁CCc1c(C(=O)NCC",-11.86143075206724],["CC[C@@]2(C)C=C",-11.86149290992402],["nc(-c2cccs2)cs1",-11.86158979341861],["C1=CC(C)(C)Nc2cc",-11.861596244572008],["(-c2ccccc2)cc(-",-11.861647658462571],["[C@]5(",-11.861702951318607],["CC2C3CCC4=C",-11.861711946216891],["c(O)c(-c2ccccc2)",-11.861723376800107],[")N2C(=O)C(NC(=O)",-11.861768493804009],["(CCF)",-11.86177190766562],["▁CC(C)Sc1n",-11.861792241062656],["1C(=O)N2CCCc3cc(",-11.861792348652662],["C(=O)C(Cl)Cl)cc1",-11.861864291307896],["c2ccc(F)nc2)",-11.862004013917923],["N1CCOC(c2cc",-11.862017070262056],["c2c1ccc1c2",-11.862052964510571],["Nc1ccnc2cc",-11.862166537749982],["c3sc(C)nc3",-11.862182175676775],["C1c2cccc(O)c2C",-11.86219693240901],["CCNC(=O)c1onc(CS",-11.862234752083276],["c2ccccc2Br)o1",-11.8622412455322],["n(-c2ccccc2)c2n",-11.86230699113156],["n2c(-c3ccc(F)c",-11.862402638311254],["C2=NNC(=O)C",-11.862453955624217],[")CC[C@H]1C(C)(C)",-11.862467519665255],["COC(=O)[C@@H]2C",-11.86257165707061],["▁CCc1cc2c(s1)N",-11.86259009716032],["C1CN=C(N",-11.862665997321582],["CC3CCC2",-11.86268163031298],["cc(C)c1NC(=O)C",-11.862736910671956],["▁c1ccc(-c2cccc(",-11.862775928669134],["n(c23)C",-11.862947172200755],["▁Fc1ccc(CSc2n",-11.862981428970215],["▁CN(C)CC(C)(C)CN",-11.86310438838552],["▁Oc1nc(N",-11.863230583618645],["C(C)C)cc2)s1",-11.86323291222106],["(O)[C@@H]2F)cc1",-11.863239407166215],["▁Br.CCCC",-11.863253880269518],["=CSC3=N",-11.863280487471728],["C3=C(C(=O)C(C)=C",-11.863281833198275],["nc(-c3ccncc3)nc2",-11.863336152851431],["▁Cc1cc(C=O)",-11.86343344604172],["C1=NNC(",-11.86343791645768],["(C3CC3)[nH]n2)n1",-11.86374077553791],["CCO)CC1",-11.86376102751824],[")c(OC)cc1C",-11.86380537972893],["c(N3CCNC3=O)cc2)",-11.863910291592523],["▁c1cncc(CN2CC",-11.863953210757728],["[C@@H](CCC(N)=O)",-11.863996478005102],["c(C2CCCNC2)n1",-11.86418533528432],["c2ccccc2)/C1=C/",-11.864298503494036],["(Cc3cccnc3)C(=O)",-11.864449957894958],["cc3)[nH]c12",-11.864479580668991],["[C@@H]1CCC(=O)N2",-11.864572319691614],["3)nc(-c3ccc(O",-11.864609230781127],[")N/N=C/c1cccnc1",-11.864635836553983],["▁O=C(CSC1=N",-11.86463731109102],["N2CCc3sccc3C2)",-11.86475898883793],["c3cn4c(n3)",-11.8648082353041],["cc2nc(N3CCNCC3)c",-11.864881642136703],["-c2nc3ccccc3n2",-11.864900476009744],["▁CCN1c2ccccc2",-11.865008835013263],["▁N#Cc1c2c(",-11.86507102255785],["CC[S+](C)C",-11.865086396231415],["n1c(=O)oc2cc",-11.865112315340296],["▁CC(CCOC(=O)",-11.86517238386475],["CC)c1N",-11.865232984273984],["cc2OC)ccc1O",-11.865297377986924],["CNCCCCN",-11.865451860405882],["c3cccnc3c2O)",-11.865603165544591],["cnc(N)cn2)c1F",-11.865655365569417],["oc(-c2ccccc2)n1",-11.865689242221356],["c1ccc2c3c(n(C",-11.865712361077964],["OCc1cc(=O)n2nc(",-11.86573243498118],["CN1CCCC1=O)N",-11.865777769432595],["c3ccccc3n2)n1",-11.865884671384809],["c(NCc4ccccc4)",-11.865931957485651],["cc4)c3c2)",-11.86614272279001],["3OC(CO)C(O)C3O)",-11.866180557829118],["c3ccc(Br)cn3",-11.866192296868077],["c3ccc(Cl)cc13)",-11.86621784893826],["c2ccc(NC3=NCCN3",-11.866283938212842],["CCC[C@@H]2N",-11.866297744506944],[")=CC2=O",-11.866305833093238],["▁Cc1cc2n(n1)",-11.866339290799772],["SC[C@H](NC(=O)",-11.86648038130066],["CC23CCN(",-11.86654449153906],["c2ccc(C)c(C)c2",-11.86656459968044],[")Nc1cc(F)ccc1F",-11.866582671204467],["C(=O)N1CCOC(",-11.866627392490392],["c1cc(=O)[nH]c(SC",-11.86671244515632],[")C1CCCC1N(C)C",-11.866723667066026],["C[C@H]3C4)",-11.866798733921884],["(O)c(O)c(O)c1)",-11.866818457343276],["c(C)c1CC(=O)NC",-11.866875754351623],["C(C)OC(=O)CO",-11.866889649772885],["(-c2ccnc(N)n2)",-11.866905502991733],["OCC(O)CNCCNC(=O)",-11.866907702198745],["n[nH]c3C)",-11.86694252621633],["2cc(Cl)ccc2oc1=O",-11.866949084767237],["▁COc1cccc(CN2CC(",-11.867019267598584],["n(-c2cccc(F)c2)",-11.8671701846943],["(=O)c2c(nc3n2CC",-11.867184321121306],["c(-c4nc5cc",-11.867231742669908],["(/C=C/c2ccccc2)n",-11.86726710856158],["c2ccc(/C=C3\\",-11.867421934808332],["c1nnc2n1CCN(",-11.867539719469594],["▁CCNC(=O)C1CCCN(",-11.867589472437071],["(C(F)(F)F)ccc2s1",-11.867623227393784],["CN3CCC[C@H]3C)cc",-11.867706764064588],["CCN(CCCl)",-11.867831013060687],["c3c(C)nn(C)c3C)",-11.86785718754379],["c1cc(C(C)(C)C)n",-11.868019005812792],["/N=C/c1ccccc1O)",-11.868025472536564],["C1CCCN(c2nc",-11.868054924540946],["COc2ccccc2)o1",-11.868133846776464],["[C@@H]2CCCN2C1=O",-11.868148517246407],["(-c2ccsc2)c",-11.86831775074819],["c3cc(C)nn3",-11.868359801774366],["Nc1nc2c(s1)CCC2",-11.86836721875202],["nc2c1cnn2-c1cccc",-11.868461484140555],["c1cc(N)cc(",-11.868498457878776],["CSc1nc(C)cc(C)n1",-11.868536738396942],["CCN3C2=O)",-11.86854551458804],[")CS(=O)(=O)C2",-11.868548081917304],["c2nc3ccccc3c3c2C",-11.868554242739757],["▁CCc1ccc(N2CC(",-11.86867890684618],["c(OCC(=O)O)c1",-11.868773170702635],["c2ncn3c2",-11.868993018047906],["c1ccc2c3c(oc2c1)",-11.869039621129584],["c(C[S+]([O-])c2n",-11.8690704694633],["▁Clc1ccc(-c2noc(",-11.869149087609156],["c3ccoc3)OC(=O)",-11.869195044718824],["sc23)cc1",-11.86922343039302],["▁C=CCc1cccc2cc(",-11.86922496944366],["1CC=C2c1cccnc1",-11.869382746369672],["C(NCc1coc(-c2ccc",-11.869398515876188],["C1(c2cccc(F)c2)",-11.86965768635261],["[nH]c(=O)c23)",-11.869815797908805],["▁CN1C(=O)c2ccc(",-11.869852131593271],["▁c1ccc2c(-c3c",-11.869881606550468],["c(-c4ccc(F)cc4F)",-11.869914459932062],["▁CCCC(=O)C1=C(N",-11.869933525419048],["c(Cl)cc32)cc1",-11.869984332286206],["▁Cc1cccc(-n2cn",-11.87010240717875],["c(-c4ccccn4)c3",-11.870144089245198],["C(=O)C=C2C=C",-11.87019554303632],["c(NC(C)(C)C)n",-11.870196039206984],["OCCCOc1ccc(",-11.870233636057211],["c4cc3",-11.87026674585792],["c3ccc(F)nc3",-11.870328394176957],["c3ccc(C)cc23)cc1",-11.870375524696788],["C2CC(O)C(CO)O2)",-11.870411629913043],["c3nc(C)no3)",-11.870490399347933],["c(N5CCNCC5)",-11.87052330711768],["n2)CCO1",-11.8705335499659],["CN(Cc2ccsc2)C",-11.870591923916232],["▁Cn1cc(CN2C",-11.870603400281375],["cc(N3C[C@@H]4CN",-11.87060660586616],["c1cc2c([nH]c1=O)",-11.870612864714818],["2ON=C(",-11.870710804232528],["c2cc(O)nc(O)n2)",-11.87095723238572],["NC(=O)c1ccccc1O)",-11.871027559231294],["N=CN(",-11.871116654304386],["c2ccc(OC)c(N)c2",-11.8711619325417],["c2ccc(SC)cc2)cc1",-11.871205037598852],["c3nc4cccnc4",-11.871240102865611],["c(CC(N)C(=O)O)c",-11.87161865994805],["c(-c3ccc4[nH]",-11.87175227737494],["1NCCc2c1[nH]c1cc",-11.871808028123828],["NC2=NCCCCC2)cc1",-11.871823531501589],["2[O-]",-11.871849502062432],["▁CC(C)(CO)NC",-11.871888006088618],["c4ccccn4)C3)",-11.872120608877346],["c2nnn(C)n2)",-11.872136770683488],["4c(c3)CCC(=O)N4)",-11.872168876059073],["CSc2ncccn2)cc1",-11.872270382477906],["▁C[C@@H]1N[C@H](",-11.872431180822955],["c1nc(-c2ccc(O)c",-11.87243691472502],["c3ncn(C)c3",-11.872674757895556],["c(=O)n1-c1ccc(OC",-11.872688233540837],["(-c2nc3cnccn3c2N",-11.87290574681169],["▁Cc1[nH]cnc1Cn1c",-11.87321711543532],["[12",-11.873389279641245],["N/C(=N\\O)N",-11.87339352418964],["c2n[nH]c3ccc(-c4",-11.873466627846334],["(-c2ccccc2Cl)c",-11.873517745505428],["(OC)c(C(=O)/C=C/",-11.873634686681577],[")[C@H]23",-11.87368587232706],["CO[C@@H]1CCN(",-11.87378471428616],["c(/C=C2/SC(=O)N",-11.873797638144495],["C12CCC(CC1",-11.873937985160149],["c2c(cccc2OC",-11.873993563949773],["=C4C=C",-11.874030002749734],["Nc3ncnn32)cc1",-11.874135604146872],["▁Cc1ccc(N)c(",-11.87416321749996],["ncnc43)",-11.874198811348156],["N1CCOCC1)c1ccc(",-11.874215881686052],["=C(N2CCOCC2)",-11.874256579593698],["▁CN(CCCc1ccccc1)",-11.87447770724744],["c(-n2cc3c(n2)",-11.874574580845165],["▁CCOc1cc2c(cc1O)",-11.874634396908997],["c1nc(Cl)c(C#N)",-11.87497234443375],[")c1ccc(O)nc1",-11.874982788994483],["C(c2cccc(O)c2)C1",-11.87499446573835],["N5CCC4CC5)",-11.875055285556089],["nc4C)",-11.87506160723143],["Cc2coc(-c3ccccc3",-11.875133546543216],["▁O=Cc1c(O)ccc2c",-11.875243158181162],["Cc1cn2ccsc2n1",-11.875319617021477],["c1nc2ncccc2",-11.875360418695152],["1OCCO1",-11.875381835849144],["1CCCC2(C",-11.875383879017187],["CCS(=O)(=O)[O-])",-11.875496164057385],["c1ccc(O)c(Cl)c1)",-11.875544431564077],["CN(Cc1nccs1)C2",-11.875687845757248],["(CCN1CCCCC1)",-11.875975595718671],["[nH]c2nc(N)n",-11.876057895789202],["c1noc(C)c1",-11.876149698509264],["(=O)n3cccc(C)c3n",-11.87616501914151],["▁Cc1cccc2nc(C",-11.87626018111336],["(-n3cnc4ccccc43)",-11.876288208039137],["nc4n3",-11.876406872212282],["▁N#Cc1ccc(CO",-11.8765499457877],["C2=Nc3ccccc3S",-11.876893626065147],["SC(N)=NC2=O)",-11.876894812197463],["OC)cc1/C=C/C(=O)",-11.877042444344893],["c1ccccc1-n1c(C)n",-11.877181934524256],["▁CN(C)CC(=O)N1C",-11.877455174036822],["n2CC2CC2)C1",-11.877728465537375],["nc(Nc3ccccc3)n2)",-11.877852409932672],["n1c(=O)[nH]c2nc",-11.877866499467206],["(C(=O)N=C(N)N)c",-11.878005585781205],["c2ccc(C)cc2Cl)",-11.878090555098824],["C(=O)[O-].[Li+]",-11.878253963168245],["▁COc1ccc2nccc(",-11.878256212080306],["c1cc(Cl)cc(C)c1O",-11.878297956313045],["▁CCC1CN(C(=O)N",-11.878405332548144],["C(=O)c2nccnc2N)",-11.878452446793217],["2CCS(=O)(=O)CC2)",-11.87847366441745],["C2Nc3ccccc3N",-11.878574533747765],["cc(O)c(=O)",-11.87860646644733],[")=C(\\C#N)",-11.87865753160825],["C1SCCCS1",-11.878747130481052],["S(F)(F)(F)(F)F)c",-11.878791171038602],["▁c1cc2c(ncn3nnc(",-11.8787911717133],["n4nnc5ccccc54)",-11.878791517550392],["C3)n3ccnc(N)c23)",-11.878792349734882],["C2(COC(N)=N2)C1",-11.878792870122606],["C2)N(CC1CCC1)CC3",-11.878801749753158],["CC1CCCN1c1cccnn1",-11.878803980132352],["COC(CNC",-11.878808293143456],["Cn2cc3c(n2)CCC",-11.87881685346114],["c(C(C)(C)O)nc3)",-11.878876057012365],["▁Nc1cc(N)nc(SC",-11.878884101846744],["/C(=C1/Nc3ccccc3",-11.878888086284167],["c3nnc(N)s3)",-11.878899049298784],["C1=NN2C(=N)",-11.87893943482269],["[nH]cc-3c2=O)c",-11.87893945455502],["▁CC(=O)Cc1nsc(N",-11.878974024810084],["c(Cl)ccc13)CCCC2",-11.879067830116403],["▁Clc1ccc(Cn2c",-11.87912832183966],["(N2CCN(C)CC2)c",-11.879162772803928],["c2cc4c(cc2",-11.87916519679194],["c(C3CCN(C(=O)",-11.879216155653396],["-c1ncccc1",-11.879275659342504],["▁O=C(NN=C1CCCC1)",-11.87928097551086],["c1cnc2nnn(Cc3cc",-11.879375929284636],["c3cc[nH]c3)",-11.879387500296762],["Cn1c(=N)sc2cc",-11.879393158177836],["2oc(-c3ccccc3)c",-11.879462538523326],["4)OCO5)",-11.879478334870262],["▁N#C/C(=C1/Nc2cc",-11.879581359056996],["▁O=C(O)CCCCCCCCC",-11.879600251513516],["nc(C(C)(C)C)no1",-11.879620128212483],["c1nc(-c2ncn3c2C",-11.879688030908545],["/C(C#N)=C(\\N)",-11.879780301782354],["c(=O)n2n",-11.87980283281878],["▁Nc1nc(O)c2c(cc",-11.879884966691645],["c1cc(O)c(C",-11.879930560640664],["nnc1C(F)(F)F",-11.880036237701429],["c(-c2cnccn2)",-11.880141644015197],["cn3ccnc23)cc1",-11.88016441478922],["n2cc(Cl)",-11.88018447136518],["(NC3CC3)n3nc",-11.880189209219516],["c(C2CNCCO2)cc1)",-11.880220825735258],["c3sccc3n12",-11.880313275424175],["(-c3nonc3N)n",-11.880320688178069],["oc2ccc(OC)cc12",-11.880412672213694],["▁CSc1ncc2c(n1)",-11.880415579435676],["COc1cc2c(cc1OC)",-11.880449332642188],["CC3C4CC",-11.880486682967106],["(F)(F)F)c2)C1=O",-11.880531554694834],["-n2cnc3cc(C(=O)N",-11.88058070450368],["▁O=C(CN1CCOCC1)",-11.880584286555932],["C(=O)/C(=C(/O)",-11.880610500739143],["▁CC[N+]1(CC",-11.880616558066732],["[C@H]3COC[C@H]3",-11.880731983737205],["c1nc(NCC2CCCO2)",-11.880739074842037],["-c2nnc3n2-c2ccc",-11.880795397833513],["N[C@H]2CCC",-11.88085504201664],["▁CC(C)=CCCC(C)",-11.881020805606164],["C(=O)C2C(C(=O)O)",-11.88102317888805],["/C(C#N)=C(/O)",-11.881151066755368],["[C@H](CCl)",-11.881206432864907],["c(=S)n1C",-11.881276933856938],["▁Cc1c(-c2n",-11.881345672523445],["nc-3c2)cc1",-11.88138512183263],["[C@H]2CCCCN2",-11.881510087162402],["N/C(=N\\O)c1ccc(O",-11.881620671003809],["[C@@H]4C)",-11.881626518380228],["c(C(N)=O)c(N)",-11.88162972278744],["c2ccc(C#N)cc2F)",-11.881730885373717],["=C(O)C(O)=C",-11.881862454828404],["nnc1C1CCCCC1",-11.88189191262825],["cnc3ncnc2-3)cc1",-11.881906688566248],["cc(N3CCN(",-11.882021710614245],["▁COc1cccc(N2CC",-11.882073151723464],["C2OC(",-11.882251114239413],["c(N2CCOCC2)oc2cc",-11.882318281202895],["▁N=C(N)N/N=C/c1c",-11.88237546481182],["c1nc2c(s1)CCCN2",-11.8824392665756],["▁[O-][n+]1cc",-11.882499692684018],["-c2csc(C)n2)",-11.882524241289842],[")Nc1cccc(Br)c1",-11.882606085262704],["▁OC[C@H]1OC(n2",-11.882677967395477],["c1nnc(S)o1",-11.882690237564535],["n2c(C)nnc12",-11.882708041888677],["▁O=C(C[n+]1c",-11.882744091655194],["c1cc2cc(OC)ccc2",-11.882753994777682],["=Nc1c(O)n(C",-11.88278517024461],["CSc2nnc(C)s2)",-11.882847303444684],["Nc1c(Nc2cccc",-11.88292402561373],["C1CC(C)(C)O",-11.882957594815489],["[C@H](C(=O)O)Nc",-11.883029624810618],["(c1ccccc1Cl)=NC2",-11.88309782906269],["▁CC(C)n1cnc2c",-11.883175491073317],["c2cc(C3CC3)on2)",-11.883196415773044],["CC(C)(C)NCC(O)CO",-11.883216732735733],["Cc1c(O)nc(SC",-11.883244225542356],["c2c(=O)cc(-c3ccc",-11.883314284338056],["c2c(=O)c3c(O)c",-11.883349901266424],["nc2c(cnn2",-11.883426742008217],["n1c(=O)ccc2cnc(N",-11.883451803482814],["C/CC/C(C)=C/",-11.88345893278745],["▁O=C(Nc1ccc2sc",-11.883483472407075],["C(=S)N/N=C\\",-11.883535970120542],["▁CC(C)C(c1nnnn1C",-11.883547256868294],["2CCCCCC2)C1",-11.883562923860955],["▁CCCN(CC)",-11.883596960903366],["▁CCN(CC1CCOC1)",-11.883619252805156],["ccnc3O2)c",-11.883676516402035],["▁O=C1CCCN1c1ccc(",-11.883707176218444],["c2c3cccnc3",-11.883811110438597],["3nc(O)n(c23)CC1C",-11.883818896325456],["N3CCCC3)c2)",-11.883934037507396],["N(C)C(=O)c2ccc(-",-11.884072266148213],["cc2)[nH]c2cc(F)c",-11.884188448167455],["C4CCCCC4)CC3)",-11.88420132790623],["C(C)C)B(O)O",-11.884252833218572],["c2n(c(=O)c1",-11.884312901185403],["C2=C1C(=O)CCC2",-11.88436412516495],["c1ccc2[nH]c(SC",-11.884420144960682],["@]2(C)C(=CC1=O)C",-11.884592482736489],["nc(SC(C)C(=O)N",-11.88459749960836],["3[nH]cnc3c2)",-11.884619318111],["c2nnc(C(C)(C)C)",-11.88462941650278],["c2cnc(Nc3ccccc3)",-11.884774244931302],["▁C[C@@H]1C[C@",-11.884852697728345],["c(OCCN3CCCCC3)",-11.88494560679619],["CN2C(=",-11.885120228651456],["ncn1CCc1ccccc1",-11.885262347611242],["c2ccc3ccccc3c2o1",-11.885263835442078],["cn23)cn1",-11.885288269255136],["Nc1ccn(C",-11.885321455369038],["c1c(ccc3ccccc13)",-11.88541227136366],["nccc3c2c1",-11.885477044462723],["c1ccc(CN2CCC3(CC",-11.885532691110646],["C4=CCCCC4)",-11.885566159466189],["▁Fc1ccc(NC(S)=N",-11.885573429364264],["▁N#Cc1cccc2c1",-11.885602550537532],["cc(-c2cccs2)on1",-11.885633669184958],["C(C)O)cc1",-11.8856953544038],["N(O)CCCP(=O)(O)O",-11.885724581102275],["c3c1CCCC3",-11.885767962271888],["NC(C)Cn2cccn2)",-11.885783065258028],["(=O)NC(C)(C)C1=O",-11.885850109261447],["c2cccc3ccoc23)",-11.885974792288376],["CN(CCCCOc2ccccc2",-11.885988908143144],["ccc2C)c1",-11.886004218551214],["nc1-c1ccccc1Cl",-11.88608365438128],["c2nc3n(n2)C",-11.886466726501158],["(=O)c13",-11.886491338346902],["c3ccc4cccnc4c3",-11.886525424301086],["n1c(SCc2ccccc2)n",-11.886679985255029],["(=N\\N",-11.88670744803076],["▁COCc1noc(",-11.886721782770442],["N(Cc2nccs2)C",-11.886747490649029],["▁C=CCN(C(=O)",-11.886751009853915],["CCCC12CC",-11.88675663479852],["CC(N)CC",-11.886769297247923],["cnc3cn2)c1",-11.886778940557187],["c1nc(O)nc(O)c1",-11.886779571733893],["N3CCOCC3)CC2)",-11.8867823326663],["C23CCCN",-11.886812916782633],["▁COc1nc(OC)",-11.886819261944105],["C[C@@H]1CCCc2cc(",-11.88701691822408],["c3ccnc(N)c3",-11.887082599853308],["1Cc2ccc(O)cc2CN1",-11.887159896556057],["c1nc(O)c2c(n1)",-11.887233559394826],["▁CN=C(S)NNC(=O)",-11.887389319232309],["CNCCNc1cc",-11.887472896830648],["c3ccccc32)N1",-11.887473101399816],["C4CC4)nn",-11.887596599435131],["OCC(O)C(C)NC(C)",-11.887761305454134],["c1ccc(F)c(-c2c",-11.887823455293775],["coc(-c2ccccc2)n1",-11.887831686862317],["▁CSc1ccc(/C=N/",-11.887857127411689],["c3ccccc3)cnc2n1",-11.887907929743823],["▁O=C(NCCO)c1c",-11.888171144606575],["[C@H](n2cnc3c(N",-11.888277072172167],["▁Cc1nc(NC(C)",-11.88830894142909],["=C1NCCN1",-11.88837862286837],["2CCN(c3ncccn3)CC",-11.888418558805649],["1CCN(c2ncnc3[nH]",-11.888434911661584],["[C@H](F)CN1C(=O)",-11.88850438131836],["S(=O)(=O)O)cc1.",-11.888603907936869],["c3ccccc23)S1",-11.888666775856649],["c2[n+](",-11.888743861250289],["(F)c(F)c2F)cc1",-11.888754959968727],["▁Cl.Cn1cc",-11.888890214393292],["c3cc(F)ccc32)CC1",-11.88890433108362],["[B",-11.888907657799155],["▁CNc1cc(N",-11.888931721094044],["N2CCC(n3c(=O)",-11.88895256989351],["▁O=C(O)CCc1ccc(O",-11.889029205329374],["[C@H]1CCCCNC1=O",-11.88922631393555],["c3)nc21",-11.889436662070874],["c3ccc(F)cc3c12",-11.889492677085888],["Cc2n[nH]c(O)c2",-11.889497524324456],["c1sccc1-n1cccc1",-11.889589777790912],["c4c(N)nc(N)nc4c",-11.889663884503898],["▁O=C1OCC(OCC",-11.889767177553251],["c1cc2cn([C@H]3C",-11.889810156190364],["c2cnc(N3CCCC3)",-11.88981752967124],["c2c([nH]1)",-11.88983537627588],["c1sc(C)nc1",-11.88990772624944],["▁Fc1ccc(NC(=S)N",-11.889919110087648],["[C@H](CO)O2)cc1",-11.88997785969038],["-c1ccc(-c2",-11.889989780128202],["cc(-c2ncnc3[nH]c",-11.890001598553429],["c1[nH]cnc1C(N)=O",-11.89005390096684],["ccn23)n1",-11.89010544361744],["ccc2[nH]ccc12",-11.890202564695183],["▁CC(C)C[C@H]1CN(",-11.89035886056109],["▁Cc1nc2nc(N)nc(",-11.890381458686813],["nc1NCc1ccco1",-11.8903902502783],["(C3)C4",-11.890395225592355],["c3nonc23)",-11.890448802965066],["2CC(O)C(CO)S2)",-11.8904856618817],["C(c1ccccc1F)=NC",-11.890593201718742],["[C@H]1CNC[C@@H]1",-11.890597712649008],["n1cncc1-c1cc",-11.890966658661034],["c2cccc(NC(=O)c3c",-11.891216458330778],["c1ccc(-c2ccsc2",-11.891224469635327],["N1c2ccccc2CC1C",-11.891260802952992],["CO[N+](=O)[O-])O",-11.89144127405403],["n2c(=O)c3c(",-11.891443033691784],["(OCc2ccccc2)cc",-11.891635258838658],["c2nccnc2Oc2ccc(",-11.891663238579191],[")C1=C(COC1=O)",-11.891673778178571],["2)sc(N2CCOCC2)c1",-11.891771232971566],["2=O)[C@@H]1O",-11.891786079644325],["c(C)[n+]1",-11.891988374860462],["cc2-c2ccccc2)CC1",-11.89199706910768],["N2CCCC2)cc1Cl",-11.8920058921366],["(-c4cncnc4)",-11.892008033938565],["C1COc2ncccc21",-11.892013616180114],["[B-](F)(F)",-11.892109498627804],["c2cc(N3CCCCC3)",-11.892121491015097],["Nc1nc(N)nc(C)c1C",-11.892218370880006],["[C@@]1(OC)",-11.892246684048152],["cc(-n2nnc",-11.892522794509448],["c([C@@H](O)[C@H]",-11.892604845406405],["@H]3COc4nc",-11.892642380190528],["NCC1CCOC1",-11.89266902939871],["▁Nn1c(S)nnc1",-11.89269334797942],["c2nc[nH]c12",-11.892698544351106],["c1cccc2c1ccn2C",-11.893050334410338],["C1CCOCC1)CC2",-11.893105308471029],["N1CCN2C(=O)",-11.8933049850826],["▁COCCCOc1cc",-11.89332588002846],["▁Cc1ncn(",-11.893563787835475],["▁CCc1n[nH]c(SC",-11.893601784965512],["cc(-n2ccnc2)c1",-11.893647037597836],["c3ccccc3)ncnc2s1",-11.893721266265176],["3[nH]cc(-c4cccc(",-11.893783585209796],["N1C2CCCC1",-11.89384118389414],["3c2CCCCC3)cc1",-11.893863853551398],["c2cccn2C)cc1",-11.89387249289004],["-c2ccn[nH]2)",-11.89389013116496],["▁Nc1nc(O)c(Br)c(",-11.89391176479734],["c(-c3cccs3)nc2c1",-11.894137541981504],["CCC[C@H]2CN(C)CC",-11.894207160126278],["C2C3CCC(=O)C",-11.894361111568646],["▁COc1ccc2occ(",-11.894362708649831],["c1nc(C)nc2c1c(C)",-11.894536818814842],["2CCN(C(S)=N",-11.89453989901178],["c2c(c1)sc(=O)n2C",-11.89455155446441],["▁Cc1cccn2c(",-11.894571941467378],["c2c(OCc3ccccc3)",-11.894575303473973],["▁CCOc1ccc2oc(",-11.894747429080454],["▁OC[C@H](O)",-11.894824607282825],["▁CN(C)CCCNCC",-11.895037055904426],["N[C@H](CO)[C@",-11.89513227235521],[".[Ca+2]",-11.895260588300902],["c3ccc(C)nc3",-11.89531740079423],["c(/C=C2\\CO",-11.895352600233238],["nc(C(F)(F)F)n1",-11.895575743739016],["c2nc(NC3CC3)",-11.895590772023535],["o4)cc3)",-11.895631054144555],["CN1CCCCCC1=O",-11.895636741723871],["c(-c2ccc(O)cc2O)",-11.89580052903662],["2c(c1)C(=O)c1c-2",-11.895845114625375],["C[n+]1ccc(/C=N/O",-11.895976682668456],["▁N#CC(=",-11.896059615004486],["c1ccncc1)C2=O",-11.89611764376107],["CCCC[C@H](NC(=O)",-11.89623142967982],["CCCCCCCC[n+]1ccc",-11.896237994220376],["▁O=C(Cn1cc(C(=O)",-11.896361464273337],["c1c(C)oc2ncnc(N",-11.896388424860008],["N(Cc1ccccc1F)",-11.896575985440515],["c2cc3c(c(O)c2",-11.89670501456705],["▁Oc1nnc(",-11.896723283961324],["[C@@H]3[C@H]4C",-11.89673104504871],["c(C3(",-11.89673978431097],["[C@@H]1C=C2",-11.896838692729412],["C2)ccc1C",-11.896899599843543],["c3cccc(C)c3)CC2)",-11.896908680355956],["C[C@H]1F",-11.897011851799402],["n(CCCN(C)C)",-11.897198354415368],["CC3CCC(C2)N3",-11.89720490113545],["c1cc2cc(Br)ccc2o",-11.89722873137685],["2)OCCO1",-11.897253960942937],["nc2nc[nH]c12",-11.89737187917935],["-n2c(-c3ccccc3)c",-11.897453868209055],["/C1=C\\c1cccs1",-11.89751570396394],["/C(N)=N/O)cc1",-11.897559782926017],["c2c1OCO2",-11.897626806814063],["(N)=O)ccc4[nH]3)",-11.897702498288398],["C(=S)N3CCOCC3)",-11.897742633953063],["(-c4ccccc4)cc23)",-11.897783459315423],["(-c2ccc[nH]2)",-11.89787514589974],["c(-c2csc(Nc3ccc",-11.89793552943563],["C(F)(F)F)cc1)N1C",-11.897981831657956],["NCCNCCNCCN",-11.898015935560744],["(C(=O)O)ccn2)",-11.898045421873084],[")c1cccnn1",-11.898075831086317],["▁CN(C/C=C/C#",-11.898173421107018],["c2cc(C)c(O)c",-11.898176783217853],["[C@@H]1CCCO1",-11.898306167837656],["c1nc2ncccn2",-11.898417846808792],["N(Cc3ccccc3F)C2)",-11.898590267655576],["CC[C@H](C1)",-11.898624636622532],["/C=N/N=C(\\N)",-11.89862570068756],["CCN(C(=O)C(C)C)",-11.898679550804154],["c(C(=O)NC4CC4)c",-11.89873381273097],["c2ccc(CN3CCCC3)",-11.898817912413955],["2ccc(=O)oc2",-11.89890585645197],["N1CCCC(CO)(C",-11.89894070323154],["▁N=C(N)Nc1cc",-11.898984857793703],["c2sc(C)cc2",-11.899175373261368],["CCN1c1nc2cc",-11.899412451405668],["(-c3c(Cl)cc",-11.899423418607707],["[C@@H](CO)O3)",-11.899442344665244],["-c2noc(-c3ccccc3",-11.899449329815006],["Sc2nnc(O)n2",-11.899568335066384],["c(-c3cnn(C)c3",-11.899597404757738],["c(C(=O)N3CCC(",-11.899647072554137],["CCC(F)(F)C",-11.90007304543637],["c2ccccc2)oc2cc",-11.90010503555894],["n1c(O)c(N=N",-11.900123863476257],["c2c(ccc3[nH]c",-11.900297730452277],["n2nc(C(=O)O)",-11.90031914046139],["2[C@H]3CC[C@@H]2",-11.900344096767116],["c(NC(=O)C3CCCO3)",-11.900392288458296],["C(C)=C(C)C1=O",-11.900601780408056],["N(CC(=O)NC(C)C)",-11.900650079164627],["[C@H]4CC[C@H](",-11.900674064462674],["=C2\\C",-11.900698663242116],["CCN(C)C)c3nc12",-11.90075414007307],["N3CC[C@H](O)C3)",-11.900771324559832],["2CCC(CC2)",-11.900843296438545],["CCn2c1nc",-11.9008837862747],["▁c1cnc(N2CCN(C",-11.900940971222427],["▁Clc1ccc(-c2csc(",-11.901085734498754],["ncnc3c2c2c1CCC",-11.901340148741667],["C1CCCCC1=O",-11.901373799389107],["N=C2NCCN2)c",-11.901496589374435],["(S(C)(=O)=O)ccc2",-11.901527664957314],["N(CCC)CCC)",-11.901610920767876],["▁COc1ccc(Cn2cnc3",-11.901627896798932],["c(CC=C(C)C)c1O",-11.901652104276298],["(-c2c(C)noc2C)c",-11.901736771353423],["(N(C)CCO)",-11.901981160077124],["▁CC12CCC3",-11.901990481413492],["▁CCNc1ncc(C(=O)N",-11.90202896632249],["▁CCn1c(=O)c2cc(",-11.902069844835816],["snc1C1=CCCN(C)C1",-11.902332843265835],["▁C=C(C)CN1C",-11.902490781687284],["c2cc(-c3cccs3)cc",-11.902595834133498],["▁CC/N=C(/C",-11.902635353761644],["▁CO/N=C(\\N)",-11.902791239827026],["▁CCCN(CCC)CCc1cc",-11.902943893248096],["N1C(=O)/C(=C2\\",-11.903032644789944],["cc(-c2ccccc2O)",-11.903049345199271],["▁C=C[C@@H]1OC(",-11.903105090907616],["O[C@@H]2[C@H]1O",-11.903203518477426],["▁C=CCn1c(=O)n(",-11.903475691474275],["ccc3c2OCO3)",-11.903634528840168],["C1CN(c2nc",-11.903669209688216],["n2cc(C(=O)NC",-11.903725831118471],["▁Cc1ccc(-c2csc3n",-11.903729896880634],["/C=C(C)/C=C",-11.9037428708173],["c1c2ccoc2c",-11.903854378513904],["▁CCc1ncc(C(=O)",-11.903913406204214],["2)[C@@H]13",-11.903931936453972],["CSCCSC",-11.903995758642075],["▁O=c1c(O)c(-c2cc",-11.903999530914092],["(Cl)cc(Cl)c2)cc1",-11.90406892865053],["CC[C@@H]4O)",-11.90407595484336],["▁CCCCCc1cc2c(",-11.90409016420248],["c2cc(-c3ccccn3)n",-11.9041932638291],["N4CCOCC4)ncnc32)",-11.90421082107797],["▁O=C(NCC12CC",-11.904319541691494],["n1cnc2c(S)nc",-11.904387174124968],["O[C@H](C)C3)",-11.904514906115574],["▁CCc1oc(",-11.904542473909714],["c1ccc(-c2cnc3ccc",-11.904755985588656],[")C(c1ccccc1)C2",-11.904761542215304],["/C=N/NC(N)=S)cc1",-11.90477136300444],["▁CN1CC[C@]23C",-11.904819613747582],["▁c1csc(-c2cc",-11.904854256486717],["=[N+]([O-])C1(C)",-11.904868348874183],["no2)c(Cl)c1",-11.904915195087064],["[C@]43C",-11.905023343583682],["CN(C(=O)c3ccco3)",-11.905098978637456],["▁N=C(N)c1cccc(-",-11.905147540300211],["N2CCCCC2)ccc1",-11.905191027967591],["C1C2c3ccccc3C(",-11.905224026331682],["cc[n+]([O-])cc1",-11.905250588586188],["c1ccc2ncc(-c3ccc",-11.905310877750177],["N1CCC(n2nn",-11.90531181564064],["[C@H]2CC[C@@]3(C",-11.905388187581512],["c3c(N)c(C(=O)N",-11.90542713814974],["▁CCN1c2nc",-11.90555365777124],["[C@]1(O)CC[C@H]2",-11.90573578118186],["c3ccc(O)c(Cl)c3)",-11.905748653014149],["C/C=C1\\c2ccccc2",-11.90589306559728],["c1nc2ccc(O)cc2s1",-11.905921255021513],["1Cc2ccc(O)c(O)c2",-11.906365261667723],["cc3c2-c2ccccc2C3",-11.906366854452934],["1(COC(N)=N1)",-11.906494934826643],["n(S(=O)(=O)c2ccc",-11.906538915156196],["(Cl)c(Cl)c(Cl)c2",-11.906594742461376],["c3cccc(c23)",-11.906605779101756],["▁C#Cc1cccc(Nc2nc",-11.906612284298124],["oc2=O",-11.906662086757237],["c(NCc2ccc(CN",-11.906755821112576],["1CCc2ccccc2O1",-11.906765291473024],["▁Cc1cc(C)n(-c2c",-11.90679993356897],["▁O=C(/N=C1\\S",-11.906829548106469],["▁Cc1ccc2c(O)c",-11.906886542290916],["(C)c(OC)c(C)c",-11.907070588282815],["2)C(=O)c2ccccc21",-11.907262085418436],["nc2c1CCNCC2",-11.907293991687093],["-c2ccccc2C(=O)NC",-11.907531506321634],["oc23)O",-11.907625783452076],["c2ccc3c(c2O)",-11.90766591090668],["C[C@H]3O2)",-11.907877179993877],["N2CCCC(C)C2)cc1",-11.907913659879958],["cc2-c2cc(OC)c",-11.907955124391366],["CCC(CN(C)C)C2=O",-11.907972553917396],["N(C(=O)c4ccco4)C",-11.908111374860832],["N(CC2CCOC2)",-11.908143678603684],["c2ccc(F)cc2)=NO1",-11.908148559820129],["c2cc(O)cc(",-11.908271868430376],["▁CC(C(=O)O)N(C",-11.908299504734677],["CC[C@@]5",-11.908308518355714],["▁O=C(O)C(=O)O.O=",-11.90849822437169],["▁OC(COc1ccc",-11.90850815641155],["CC4)c23)",-11.908524677177564],["▁N#CC(C#N)",-11.908633723640868],["▁Nc1ncn(C",-11.90883933147052],["NC1=NC(=O)C(C",-11.908878608873078],["cc(Cn3ccnc3)",-11.908889219607662],["-c2ccccc2OC3)",-11.908891299433296],[")NCCc1c[nH]cn1",-11.908896590358973],["c2ccc(N(C)C)cc2",-11.908904019427291],["c(Cl)c3)o2)",-11.9089267874928],["/C=C1\\C(=O)N(",-11.90893056189728],["▁CC1(C)OC[C@H](",-11.909033472194842],["▁O=C(NC1CCCCCCC1",-11.909168491847664],["▁CCC(=O)Nc1cc(",-11.909172053545982],["N(CC#CC",-11.9091879771764],["cc2c(OC)c1OC",-11.909285197860974],["CN2C(=O)C(C)",-11.909309746190043],["c2cc3n(n2)CCCC3)",-11.909352620036731],["(O1)",-11.90950315265076],["C(C4)",-11.90955657667508],[")ncn2)cn1",-11.909663062833127],["cc(F)c(F)c(F)c2)",-11.909756533438369],["C(=O)C=[N+]=[N-]",-11.909772415907804],["▁Cc1cc(Nc2nc(N",-11.909781794979097],["N[C@@H]1CCN(",-11.909827041698492],["c2csc3c2CCCC3)",-11.90991431052752],["▁Cn1c(S)nnc1C",-11.910034475665672],["c2cc3n(n2)",-11.910036668806658],["6CC(CC(C6)C4)C5)",-11.910041170895685],["1C6C(C53)N2C",-11.910041171191915],["nn4ncccc34)n2)c",-11.910041719099976],["c3ccc4nncn4n3)",-11.910041863994977],["c4c5ccccc5[nH]c4",-11.910045064756204],["NCC2(F)CCN(C(=O)",-11.910048364638476],["c4oc5ccccc5c4",-11.910056998430226],["C(=O)NO)ccc2n1CC",-11.91006871229648],["c3ccc(N)nc3c2)c1",-11.910068899863786],[")c1c(CC)nc2c(OC",-11.910072023484966],["C1NC(=O)NC(C)=C1",-11.910084049106011],["▁C=CCOc1ccc(CN",-11.910089800843048],["CCN(C2CCC2)CC3)",-11.910090588072183],["c(Nc2c3ccccc3nc3",-11.910121187167372],["c([18F])",-11.910128825626137],["c(C2CC3CCC(C2",-11.910137373117747],["c1cc2ccccn2n1",-11.910169988570228],["Sc1nc(N)cc(O)n1",-11.910179284508974],["c2oc(C(=O)N3CC",-11.9101923796038],[")SC(=O)C=C1O",-11.910198212492926],["N3CCCC3Cn3cncn3)",-11.91025471762262],["C2=C(O)CCCC2=N",-11.910256490024071],[")NC(=O)NCc1ccco1",-11.91027734381351],["3oc(=O)ccc3cc2",-11.910287496705228],["c1cccc2c1ccc1",-11.910303864940524],["cc2n1CCC2C(=O)O",-11.910309596013803],["n2ncc3c(",-11.910312203752207],["CC(C)(C(=O)NO)",-11.910383212625309],["▁CCn1ccnc1CN(C)",-11.91038913533713],["c3c2C2CCC3C",-11.910436463837868],["n2)ccc1Cl",-11.910461893110242],["c(SCCN(C)C)n",-11.910653812719724],["▁Cc1cc(=NN=C",-11.910668895028383],["c3c(N)ncnc23)",-11.91069419784578],["▁N#Cc1c(N)cccc1",-11.91077974494165],["(COP(=O)(O)O)O2)",-11.91081642910523],["2C=CS(=O)(=O)C2)",-11.910830218102827],["Nc1ccccc1-c1cccc",-11.910837181660028],["N3CCOCC3)ccc2",-11.910844207191344],["(CC(C)N)",-11.910849972255836],["c(-c3ccccc3)n2c1",-11.91091280404942],["cnc4c(N)ncnc43)",-11.91099293043932],["c1cc(Br)c[nH]1)",-11.911002726694798],["nc(-c2cccnc2)cs1",-11.91102775367812],["▁O=C1NC(=O)c2cc(",-11.911064158921953],["cc(O)c2[C@@H]2C",-11.911083922921232],["▁c1cc[n+](C",-11.91109178899852],["C1(N2CCCCC2)CCN(",-11.911146556151946],["c2ccc(Cl)c(C)c2)",-11.911181713071056],["OC(=O)c2c1ccn(",-11.911211199321084],["[C@@H](n2cc(C",-11.911278145711805],["/C=C2\\C(=O)NN=C2",-11.91129373187619],["C2=NCCO2)c1",-11.911313634835135],["/C(=C(\\C#N)",-11.91131798709852],["c2cc(-c3c[nH]nc3",-11.91134750865016],["c(-c2cc3c([nH]2)",-11.911529078539068],["CCC(N)(CO)CO)cc1",-11.911586284415192],["Oc2ccc(/C=N/N",-11.911903628519052],["N2CCC(C(N)=O)",-11.911965513470488],["c(C)c(C)n2C",-11.9120637033237],["N2CCOCC2)C(=O)N1",-11.912065428988658],["CCN3S(C)(=O)=O)",-11.912090172382085],["c1cc(C)oc(=O)c1",-11.91218601675816],["▁O=C(Nn1cnnc1)",-11.912214659358408],["C1=NN(C(C)=O)C(",-11.912246579703094],["▁CO/N=C/c1c(N)nc",-11.912281361539613],["CCCN3CCC2",-11.912323365612352],["(Nc2c(C#N)cncc2",-11.912537863617384],["CCN(Cc1ccccc1)C3",-11.912548571963375],["(oc3ccccc32)c1=O",-11.912555745446396],["3c(-c4ccco4)nnc3",-11.912594922405692],["CSc1nnc2cc",-11.912646893629436],["N1CCC(n2cc(-c3n",-11.912707373544116],["▁CC1(C)CCN(",-11.912787697248266],["▁CCC(=O)NCCc1c",-11.912846275883291],["(O)c3c[nH]nc3n2)",-11.912993422242476],["c(-c2nn(C",-11.913000541286998],["C/C=C/CCCC(=O)O",-11.913051637386838],["H]2OC(=O)[C@@H]",-11.91315019210989],["▁C=C1C[C@]23C",-11.91324120586396],["▁CCCCC(CCCC)",-11.913367746869069],["c2)n2ccnc2)cc1",-11.91344716218858],["[C@H](CC[C@]3(C)",-11.913465907100132],[")c1cccc(=O)[nH]1",-11.91349012257572],["oc3cc(O)ccc3c2=",-11.913509722599027],["c1cccc(O)c1)c1c",-11.913513513140716],["@]2(C)O[C@H]2[C@",-11.913550619560896],["C2=C(O)C(=O)N(CC",-11.91355675852345],["c2cc(O)c(Cl)cc2",-11.91358696862161],["c2cnn(C)c(=O)c2",-11.913590669981431],["c(=O)n(C)c2[nH]1",-11.9136259230294],["▁Cc1c(C#N)c",-11.913896819762709],["C3=C(CCCC3)",-11.913921805759903],["c3cnccc23)",-11.913969192149256],["c(N)nc1=O",-11.913976142482262],["▁Clc1ccc(CCN",-11.91403835529936],["▁Nc1ncnc2c1nnn2",-11.91409074107754],["N1CCC(Oc2ccc(",-11.914134818591688],["▁C=C1C=C(C",-11.91422297897464],["CC(C)(C)C)Cc1ccc",-11.914245815988492],["n2nc(C(=O)O)cc2",-11.91435930890093],["c3nc(N4CCCC4)n",-11.914384775615108],["▁CC1(C)CC(=",-11.914516573844963],["▁N#CC1(C#N)",-11.914546941580618],["c1cc(C#N)cc(",-11.914560250842513],["[C@]1(O)C[C@@H](",-11.914598114003017],["[C@@H]2CC(=O)c3c",-11.915008809743783],["c1ccc(CSc2nc",-11.915385416016203],["c2c(c1)C(=O)c1cc",-11.915387524800447],["[C@H]3CCCN3",-11.915411180378555],["▁CN1CC(C(=O)NC",-11.915429543747674],["(-c2ccccc2)c(=O)",-11.91543132612112],["C#CC(O)(C(=O)O",-11.91572875174404],["(-c2nonc2N)n",-11.9159064219523],["(O[C@H]3O[C@H](C",-11.91600355037604],["c2nnc(O)nc2O)",-11.916075513946955],["c4ccccc34)n2)",-11.916086998049469],["C1CN(C2c3ccccc3C",-11.916099897158244],["O[C@@H]2CC(=O)N2",-11.916115803919345],["▁Cl.N=C(N)SC",-11.916185491867587],["c2c(c3ccccc3n2C",-11.916276952694734],["▁COCCN1CCC(CN",-11.91646726309514],["c(N2CCC(Oc3ccc(",-11.916480010048211],["/C(=N\\OC)",-11.916484591087588],["/C(=N/C#N)N",-11.91649643907616],["CCN(C2CCC2)CC1",-11.916535433404976],["▁Cn1cc(Nc2nc",-11.916553883685856],["c(N)c1-c1ccccc1",-11.916555326128217],["C3)c2cc1OC",-11.916635155713186],["c2cccc(N)c2",-11.916650741824109],["ccn4c3",-11.91691832457707],["N2CC=CC2)",-11.916919950393694],["(-c3ccc(OC)cc3C)",-11.916960124319914],["c(C2CCCN2C(=O)C",-11.916997141326934],["CC(O)C3)",-11.917009962652848],["C2CNC(=O)N2",-11.917045398620104],["c1cc2[nH]nc(-c3c",-11.917052082239868],["-n2c(=O)c3ccccc3",-11.917084452536796],["/C(=N/NC(N)=O)",-11.917130812416373],["c(-c3ccc(C#N)n3C",-11.917194991645465],["n3-c3ccccc3)",-11.91732380874496],["▁Cc1nc2sc(C(=O)N",-11.917478914835144],["c(C#CCCO)",-11.917517761292643],["▁COc1oc(=O)c2cc(",-11.917687754023332],["C[C@](C)(CN",-11.917706048960776],["c1cc(CN2CCOCC2)",-11.91779395015864],["▁CSc1ccc(NC(=O)N",-11.917873700178736],["▁NC1=NCC(C",-11.918068874021737],["NC(=O)CO3)cc1",-11.918161539139364],["C1O[C@H](CO)[C@",-11.918177845100365],["c1nc2c(=O)n(C)",-11.918219815344225],["▁OCc1cn(",-11.918224239283292],["ccc1-c1c(C)c",-11.918228447682774],["Nc3cccc(Br)c3)nc",-11.918231448814984],["▁COP(=O)(OC)C(N",-11.91824023689831],["C2Cc3ccccc3C2)C1",-11.918268848485075],["NC1(C(F)(F)F)N",-11.9182943528184],["N)c(N)c1",-11.91832086662212],["c2cc3[nH]c(-c4cc",-11.918664205936288],["▁Cc1ccccc1C(O",-11.918687585511158],["▁CN1CCc2c(sc3",-11.918695998901828],["c3ccc(C)nc23)",-11.91873217685644],["2c(F)cc(F)cc2s1",-11.918909309956174],["C(=O)N(C)C3=O)",-11.91900113518631],["c(=O)c2OC)cc1",-11.91904026416452],["▁Oc1ccc(-c2ccc(-",-11.919161789896275],["▁[O-][n+]1ccc",-11.919361874732234],["(N2CCCC2)n",-11.919379211253563],["c(N4CCNCC4)cc3)",-11.919532150684311],["nnc(C)c3c2C)cc1",-11.919807081245724],["n(C2O[C@H](CO",-11.919862567293794],["c2ncnc3ccsc23)",-11.919863799590082],["c1ccc2oc3ccc(",-11.919966557564347],["▁Cc1oncc1",-11.9200811165712],["Nc1nc(NCCO)",-11.9201461354266],["CCC12CCCN(C(=O)",-11.920253036139204],["N)c2c(C)c1C",-11.92027011391886],["n(C2OC(CO)",-11.920457404569929],["-c2cc3ccccc3nc2",-11.920484415759498],["2CCCn3nc(C",-11.920657322405251],["cc(-c3cccs3)n2)",-11.920681977217326],["2)CCCC4)cc1",-11.920763576524884],["c2nc(C(C)(C)C)c",-11.920813446007786],["▁CC[N+](C)(CC)C",-11.920850163034594],["C(=O)Nc2cncc(O",-11.92087063754556],["▁N=c1sccn1CC(=O)",-11.920879720903743],["CCN1C(=O)[C@H](C",-11.920968218679594],["(C)[nH]c(C(=O)CO",-11.92106528808334],["n3c2=O)c1",-11.921106991822686],["C(NO)c1c[nH]c2cc",-11.921124719509049],["CC[C@@]3(CO",-11.92121110067148],["-c2cn[nH]c2)ccc1",-11.921237857514823],["▁CC(C)N1CC(",-11.921270668838318],["1CCC(F)(F)CC1",-11.9213976446457],["(O)ccc2ccccc12)",-11.921411142287583],[")CCN(C)C3",-11.921516974835406],["[C@@H]4C[C@@H]4",-11.921595853271157],["(C)[nH]c(C(=O)",-11.92160984935864],["CN1C(=O)N[C@@H](",-11.9216582242384],["3ccccc3c",-11.921675558680802],["c3ccsc3)C2)",-11.921694403782864],["c(F)cc1)c1ccc(SC",-11.921724942158429],["▁CN(CCOc1ccccc1)",-11.921824781151797],["C3=Nc4ccccc4",-11.921920509246709],["▁COc1ccnc(N2CCN(",-11.921959684221754],["c1ncc2c(n1)-c1c(",-11.92211131862244],["c(C(F)(F)F)cc2-",-11.922114527806963],["N(c2ccc(-n3cc",-11.922171120789786],["(CSc2ccccc2)",-11.92222282023608],["2CCCC(C)C2)",-11.922234953611763],["c3c[nH]c4ccc",-11.922269483963614],["[C@@H]1C[C@H]2CC",-11.922398360736338],["C2)CC1=O",-11.922571880275084],["(\\C)CCC=C(C)C)",-11.922596520586652],["n1c(Sc2ccccc2)c(",-11.92274715397718],["CC(C)NCC(O)c2ccc",-11.922830349442355],["c1c3ccccc3[nH]c1",-11.923012619613248],["c(C#N)c3)cc2",-11.923025162318638],["CN)c1.Cl",-11.923172172414745],["c(Cl)cc2[nH]1",-11.923296615088065],["@H](O)C[C@@H]1C",-11.923480058542664],["C(C)(C)c1[nH]",-11.923525721261315],["CCCN32)cc1",-11.923608830246035],["2nc(N)nc(N)c2n1)",-11.923648961898405],["CNc1c(N",-11.923688898540505],["4)cc3)cc12",-11.923840489750434],["(C=C(Cl)Cl)",-11.923854494761509],["c(-c4ccccc4O)",-11.92390137989068],["nnc2SC",-11.92395621646793],["[C@@H]1CCC[C@H]1",-11.923970983271465],["C(CCN1CCN(",-11.92399760230893],["▁Cn1nc(-c2cc",-11.924012641610584],["▁N=C(N)/N=C(\\N)",-11.924063953552873],["▁Cc1cn([C@H]2C=C",-11.924168340591674],["C(O)CCCCC",-11.924200174936493],["▁Cc1ccncc1-c1cc",-11.924325051734307],["c3sc(C)cc3",-11.924369750723953],["N1[C@H](CO)C",-11.924407852980496],["▁CCCN1CCC(CO",-11.924426052652828],["ccc1N(C)C",-11.924462859668688],["c(CNC3CCCC3)",-11.924494716715424],["cc(CO[C@",-11.924596588853344],["Cc1cnc(C)",-11.924671226242168],["c(C4CCCCC4)n",-11.924678033521396],["C#N)cc(C)c1Oc1cc",-11.924697737361893],["(C)C)c1.Cl",-11.92477010458654],["C3Cc4ccc(O)c",-11.925025505213094],["▁CO[C@H]1[C@H](",-11.925413532127653],["c(C(=O)O)c(O)c3",-11.925437719732184],["[C@@H]1CS[C@H]2C",-11.925490909869689],["▁CSc1cccc(Nc2nc(",-11.925534145519675],["▁NC(=O)CC[C@H](N",-11.925546989599024],["▁N/C(=N\\OC(=O)",-11.92556704794056],["C2COCCO2)",-11.925673699643507],["Cn1nnnc1SCC(=O)",-11.925740353293795],["2C(=O)Nc3ccccc3",-11.92574471829325],["c4nn[nH]n4)",-11.925803176028412],["2C[C@H]3[C@H](N",-11.92580786341567],["C=C(c2c[nH]c3cc",-11.925894320098225],["C(COC(C)=O)O",-11.92596256112699],["c(-n2nc(C)c3c2",-11.925962798293185],["c(N)cc3",-11.925967449006167],["C2CCN(CC2)C1",-11.925992751744875],["nc(NC3CC3)c2",-11.925996285930456],["cc(-c2ccc(/C=N/N",-11.92601838664686],["c1cc2c(O)nc",-11.926041092425288],["c(/C=N/N2CCN(C",-11.926055119727724],["NC(=O)c1cn(C)nc1",-11.926061863380376],["c(-c3ccco3)nc12",-11.926099045208764],["CNC(=O)C2CCCN(",-11.926276552746195],["▁O=C(CCCN1CCC(",-11.926291541255134],["c5c(c4)OCCO5)",-11.926371838546368],["(CC2)C",-11.926473110418096],["NC2=NCCCCC2)",-11.926539820545193],["c2c(=O)n(CC(=O)N",-11.926583775833612],["(-c2ccccc2Cl)o",-11.926694282789327],["c(OCCOC)c",-11.927203626823047],["(Nc3cc(C)[nH]n3)",-11.927231411362198],["▁O=S1(=O)CCOC",-11.927287713572786],["2)c(C)nn1C",-11.927391969328632],["c1c2c(n3c",-11.92739377704434],["/C(O)=C1/C(=O)N",-11.927470610090293],["/C(C#N)=N/Nc2ccc",-11.927471055760014],["c2c(=O)cc",-11.927496164103154],["ccc1-c1c(C)n",-11.92755246305487],["c2cc(-c3ccco3)o",-11.92762493483321],["c(C2CC(=O)Nc3",-11.927644338220148],["c1nc(C)cc(N",-11.927745546924074],["▁CC1CCC(=NN",-11.928170502045033],["▁C(#Cc1ccccc1)C",-11.928247322510613],["▁CCN1CCN(c2ccc(N",-11.928269467893449],["(O)ccc3ccccc23)",-11.92841140573586],["▁O=C1S/C(=C\\",-11.92843306642443],["(=O)oc2c1ccc1oc",-11.928587218159166],["N(C)CCO3)",-11.928649397623548],["N2CCCC(c3n",-11.928703695093484],["N2CCSC2",-11.928743959166637],["▁O=c1ccc2cc(OC",-11.92876275671442],["cc(N)n3)",-11.928791934274203],["▁CC(Sc1nnc(",-11.928894858765927],["c(C(=O)O)c2)o1",-11.928927345899416],["nc(N2CCNCC2)c1",-11.929083594167642],["Nc1nccc(",-11.929182730100464],["▁CCc1noc(C(C)",-11.929240621986413],["c2c(OCCN",-11.929274895631464],["▁CC1(c2cccc(N",-11.929331548319055],["c3c(c2)nc2n3CC",-11.929339561548682],["/C=N/n2cnnc2)cc1",-11.92935725054729],["Nc1sc2c(c1C(=O)O",-11.929358808685723],["CCC/C=C\\C[C@H]1",-11.929433835671295],["c2ncnc3c2nc2n3C",-11.929440315490478],["n2cnnc2S",-11.92944207662662],["▁N#CCc1ccc(N",-11.92946134592562],["2CC=CC2)",-11.929523328271],["@H]1CCCC[C@H]1",-11.92953522367911],["c(Nc2nc(N)nc(CS",-11.929572532234594],["n3c(C)nnc3",-11.929709830949037],["(CCCCB(O)O)",-11.929750533713234],["C(C3)C2",-11.929757991034013],["▁Cc1c(NC(=O)N",-11.92975988288386],["Sc3ccc(Cl)cc32)C",-11.929908180693932],["c(CCCO)c",-11.930127139835433],["▁NCC(=O)NCC(=O)N",-11.93014821601735],["n1nnc2c1C",-11.930257440261094],["C3CC(=O)N(",-11.93026899299466],["cc(OC)c2c(c1OC)",-11.93032278488809],["▁CC(c1ccco1)N(",-11.930493553014667],["2CC(N=[N+]=[N-])",-11.93050582324304],["c(CCN(C)C)c",-11.930584799528193],["▁Cc1n[nH]cc1-c1c",-11.93072806301422],["▁CN(C1CCCCC1)",-11.930834206047496],["c(CC2(CO)CCN(",-11.931042519814346],["ccccn3)n2)c1",-11.93107388237],["N2CCc3ccccc3C2",-11.931108442963945],["CN(C(=O)C1CC1)C2",-11.931154414427452],["CC(C(C)(C)O)",-11.931239067943526],["nc(N4CCOCC4)nc3",-11.931353124735782],["▁Cc1nc(O)cc(C",-11.931475305136516],["▁OCc1ccc(-c2nn(",-11.931593345809675],["[Na+].[O-]",-11.931704214242744],["N3CCCC3)CC2)",-11.93177887802984],["(Cc3nnn[nH]3)",-11.93178350184711],["/C=C1\\SC(=O)N",-11.931811434344535],["c2ccccc2CO)",-11.931949840015196],["c3cc[nH]c3c2)",-11.932162553632695],["c4c3CCCC4)c2)",-11.932320859011288],[")Nc1ncccc1O",-11.932352141969629],["c(C(=O)NCCN)",-11.932355516025169],["ccc(=O)[nH]c3=O)",-11.932387395606534],["1CCCCC1)N1CCN(",-11.932471151070438],["[nH]c(=S)n2",-11.932538753714514],["▁CC(C)(O)C1C",-11.932564376988465],["c2c(N)c(C#N)",-11.932571474487212],["▁N#CCNC(=O)[C@",-11.932600562283566],["n1c(=O)c(C)nc2c",-11.932606433868964],["1CCc2c(sc3ncnc(N",-11.93271962486586],["c1ccnc2[nH]",-11.932862711395678],["c1cc(-c2ccnc(N",-11.932925383230716],["C(=O)Nc1nncs1)",-11.932927987567778],["▁O=C(CCl)Nc1ccc(",-11.932968617680928],["(-c2ccc(Br)cc2)o",-11.933012951707148],["▁O=c1c2c3c(sc2",-11.933024748423142],["CN2c2ncccn2)",-11.933108295760686],["sc3n2)",-11.933174506316998],["(CI)",-11.933280328962937],["n2C)cc(OC)c1OC",-11.933304089752369],["N1Cc2ccccc2C",-11.933354176965324],["▁O=C1CCCC(=O)C1",-11.93344845620436],["(NCC2CCCO2)",-11.933581636230585],["c3ccccn3",-11.933675896034613],["(-c2ccccc2)oc1=O",-11.933722201594763],["c3ccc(Cl)c(F)c3)",-11.933874986150744],["c3cc(-c4n",-11.933908336458831],["▁Cc1c(C(=O)/C=C/",-11.933976918612652],["3)ccc2N1",-11.934088630560137],["O[C@]2(O",-11.934118390238218],["CN(c2nccnc2C2CN(",-11.934151109379629],["N4C(=O)CC",-11.934229394090805],["▁CSC(=N",-11.934515144235355],[")cccn3",-11.93454265486062],["cn3)o2)cc1",-11.934552386290203],["c2ccc(O)nc2)",-11.934647375359528],["C(Cc1c[nH]cn1)",-11.934673953490844],["c1cc(Br)cnc1",-11.934680249979415],["▁CC(C)CNc1cc(",-11.934741875655233],["OC(Cn2ccnc2)",-11.935040860222728],["COC(=O)C1=C(C)N",-11.935066864912171],["▁Fc1ccc(-c2csc(N",-11.935068222087644],["CC[C@]1(C)C2(C)C",-11.935159320986184],["NCCCCc1c[nH]cn1",-11.935218098932404],["C(=C)[C@@H]2",-11.935415421133344],["[C@H]2CNCCO2)",-11.935471306375648],["[nH]ncc4c3)C2)c1",-11.935538017243816],["CCC[C@]2(C)[C@@",-11.935538869569749],["-c2cc3c(C(=O)O)c",-11.935569042740491],["c(-c5ccncc5)",-11.93604594647977],["c2cc(CN3CC",-11.936122316182797],["c1n[nH]c2c1CN(",-11.936284990355514],["/C1=C1\\",-11.936295392921108],["▁Nc1ncc2c(n1)",-11.936351952278546],["O/N=C(/c1cccnc1O",-11.936380399606335],["Cc1n[nH]c(=O)n1",-11.936382822268197],["C(=O)NCCC(=O)NCC",-11.936383702506271],[")Cc1ccc2c(c1)CCC",-11.93643333020076],["c3ncncc23)",-11.936526175028018],["NC(C)(C)C2)cc1",-11.936531205518785],["Nc1nc(N)nc2c1CN(",-11.936558527130751],["(OC)c2c(=O)cc(",-11.93658341137997],["C2CCN(c3ncccn3)C",-11.93662275659718],["CC(=O)N[C@H]1CCO",-11.9366231368448],["c(C(=O)NC3CC3)c",-11.936696097106598],["C1CCC(C)CC1)",-11.936729190094264],["C(OC(C)(C)C)",-11.9367937093031],["N(C2CCCC2)C",-11.936801254358802],["c(-c3cc(=O)n4nc",-11.936863021034624],[")n2CCO",-11.936923586759566],["sc(C)c2C)",-11.937028801813828],["cc3oc2=O)cc1",-11.93704230446809],["CO3)CC1",-11.93719816774337],["N(C(C)C)C2=O)",-11.93720654073136],["c1ccc(O)nn1)",-11.937241382981522],["1CC[C@@H]2[C@H]1",-11.937401619773397],["c2oc(-c3ccco3)",-11.937425981280557],["C3CCCC3",-11.937449415797175],["▁N=C(N)NN=C",-11.937500558863466],["N)nc(N)nc3ccc21",-11.937715557267296],["ccc1-c1cncnc1",-11.937751093386966],["C(=O)c2cccn2C",-11.937829275164944],["c3coc4ccccc34)",-11.937839528589928],["c2nc3n(",-11.937840601433658],["c3onc(",-11.938050062469928],["Oc1c(OC)c(OC)c",-11.938201295668051],["nnc(-c2ccccn2)o1",-11.938440674364564],["c(NCc3ccncc3)",-11.938476697263267],["(=O)c3cc(C)ccc3o",-11.938491470389405],["c2cccc(-c3nc4ccc",-11.938632928403344],["nc(-c2ccncc2)no1",-11.938839213893193],["2c(=O)cc(C(=O)O)",-11.938885386572494],["c(N=[N+]=[N-])c",-11.938913425316512],["[C@@H]2CCN3C",-11.938973696507778],["CCC(=O)c1cccs1)N",-11.938993050250913],["c1cn[nH]c1-",-11.939236385199283],["c1c(O)c(=O)ccn1",-11.939304239488544],["▁CCCCn1c(=O)c(",-11.939344205400271],["c3cnccn3)C2)",-11.939679363960298],["C(c4ccccc4)C3)",-11.939742610457769],["C(=O)N2CCC=C",-11.93975608401985],["CNCC1C",-11.939763731310212],["CCNc1nc(C)c",-11.939786120295476],["(N4CCCC4)nn3C)n",-11.939807023351856],["[C@@](C#C",-11.94000969212575],["N=C(N)N(C)C1=O",-11.94009466235013],["▁CNC(=O)c1cccc(C",-11.940359142331737],["c2ccnc(-n3ccnc3)",-11.940408105232176],["cc(C2CC2)[nH]n1",-11.940552869542769],["(Nc2ccccc2)nc(N",-11.940628253206182],["▁CO[C@@H]1CCN(",-11.94063426294266],["c4ccc(N(C)C)cc4)",-11.940639321225634],["C(=O)N4CCCCC4)",-11.9407506206773],["n2c(Cl)nc3c",-11.940815885957528],["nc3ccnn23)cc1",-11.940933305605585],["/N=C/C2=C(O)",-11.940962086844564],["(C2=NC(C(=O)NO)C",-11.941001269014745],["C(c1ccsc1)",-11.94104251972372],["c(CSc3nnc",-11.941088029099609],["(Oc2ccc(Cl)cc2O)",-11.941140327496756],["O)c1ccc2c(c1)CC(",-11.941199569545212],["N(Cc1ccc(Cl)nc1)",-11.941266287579555],[")Nn1cnnc1",-11.941294891894447],["1CC(=O)NC(=O)C1",-11.941322542923269],["▁CO[C@H]1CCN(",-11.941397157647842],["C=CC(=O)O1)",-11.941606367700206],["CCCCCCS)",-11.941620911807115],["▁Cc1ccc2nc(C)cc(",-11.941736254522226],["CCC(C)(C)C(=O)O)",-11.94176799827596],["c1nc2c(nc1C)",-11.94182174883414],["nc3ccccn3c2=O)",-11.941847997837904],["N(Cc2ccncc2)",-11.941906030098457],["CCc2c[nH]cn2)c1",-11.941932927949985],["c2[n-]",-11.942066791490756],["c3cc4ccccc4[nH]",-11.942075742810037],["▁CN1CC2(C",-11.942144571528928],["1C2CC3CC1CC(",-11.942182777845446],["1CC(O)CN1",-11.942244738516775],["P(=O)(OC(C)C)",-11.942266620343212],["8",-11.94229923541031],["C12CN3CCN(CC(C3)",-11.942299259656542],["-c1cc4c(cc1CC3N",-11.94229948168303],["n3nc(C)nc3C)C2)",-11.942299610385954],["(C(N)=O)ncn2c1=O",-11.942300505768223],["N([O])C1(C)C",-11.942301246966332],["▁Nc1ncc(Cl)nc1CN",-11.942302238541927],["▁Cl.Cl.Cl.N",-11.942302864507752],["c3nc(O)c(O)nc23)",-11.94230974382525],["c1cnc(CSc2cnc(N",-11.94231743865529],["c3cc(Cl)cc(c32)",-11.942320095450285],["CC(Cn4cncn4)C3)",-11.94233273563776],["C[P+](C)(C)C",-11.942341264284869],["[C@H](CCCO)",-11.942348394597072],[")[C@@H]23)OCO5",-11.942404750806016],["▁C=CCn1c(NC",-11.942458728372053],["O[C@H]3[C@@H]2O1",-11.942532723833722],["c1nsc(Cl)c1Cl",-11.94254137912582],["c(C2CC(=O)Nc3c2",-11.942570293979289],["▁CCOP(=S)(OCC)O",-11.942598783371084],["CN(Cc1ccncc1)C2",-11.942697793714933],["(O)cc2)coc2cc(OC",-11.942713229156652],["c1c(C)nc2ncnn2c1",-11.94272088082127],["nc(-c4ccccc4)o3)",-11.94276251057104],["▁NCCc1c[nH]c2cc",-11.942763078041962],["-n2nc(OC(C)C)c(",-11.942767151549813],["C(=O)Nc1nnc(C)s1",-11.94277849177025],["▁COCc1cc(C)nc(",-11.942781749046391],["c3cnc(C)cn3)",-11.942788047654563],["▁Cc1n[nH]cc1CN",-11.942794405110032],["nc(N)n2)C1",-11.94282350821662],["▁N#Cc1c(O)nsc1N",-11.942837921062305],["▁O=C(C1CCOC1)N1C",-11.94286034067531],["▁CC(=O)C1C(",-11.942921209002265],["c1c(Cl)cncc1Cl",-11.942949281346396],["▁CCOc1ccc(NC(=S)",-11.942962191435049],["c1ccc2cnccc2n1",-11.943004266571732],["C(=O)O)c(F)c2)c1",-11.943006306924334],["▁Cc1ccsc1C(=CCC",-11.943016100049917],["OC(CCn2ccnc2)",-11.943055671370535],["C(/N=C1\\CCCCCN1)",-11.94306453470858],["c1ccc(-c2cnc(N)n",-11.94312347539396],["3CC[C@H](O)CC3)",-11.943173031795524],["([3H])",-11.943196293225675],["cc3ncnc(Nc4cccc5",-11.94322507229995],["▁Cc1cn2c(n1)CC",-11.943257716780252],["▁C[N+]1=C",-11.943262084993371],["c2nc(N)nc(O)c2N1",-11.943325357278631],["c3ccc(F)cc13)C2",-11.943364880296546],["c2c(C)nc(N",-11.943386615753798],["C(O)CN1C",-11.94340525389146],["oc2cc(-c3ccccc3)",-11.94344576365306],["nc(-n2ccnc2)n1",-11.943447620702637],["c4ccc(C(F)(F)F)c",-11.943503027053904],["▁NC1=NC2(CCCCC2)",-11.943515407753267],["▁C/C(=N/NC(=O)CN",-11.943562128290536],["(=O)N2CCNCC2)nn1",-11.943868436874473],["/C=N/NC(=N)N)cc1",-11.943871040798092],["C2=Nc3ccccc3CN2",-11.943871129871711],["c1ccc2nc(N)sc2c1",-11.943871411267448],["c2sc3c(c2c1)",-11.943975143699094],["cc(-c3cnc4c(c3)",-11.944242079215297],["▁S=C(NCc1cccnc1)",-11.944247071389906],["c(OC(F)(F)F)cc3",-11.944251615591265],["CCn1c(N)c(",-11.94426180232623],["c1ccc(/C=C2\\N=C(",-11.94433574145327],["c(Cl)c3)CC2)cc1",-11.944402027267335],["(=O)N2S(=O)(=O)O",-11.94446565119981],["c1c(C)nc(N)nc1N",-11.944507852693205],["c(NC(=O)CC2SC(N",-11.944539969490616],["OC(C)(C)[C@H]2O)",-11.944597196267438],["c(-c2c[nH]nn2)",-11.94464738920254],["(C)c(O)c(C)c2)",-11.94469937541144],["c1cccc(Cl)c1Nc1n",-11.94475570873568],["c1cnc3ccccc3c1",-11.944772326446866],["CN(C)S(C)(=O)=O)",-11.944885714337037],["noc(-c2ncn3c2CN",-11.945045949968698],["c(OCc3ccccc3)cc2",-11.945163154760078],["c(O)n3n2)",-11.945163936016888],["C(=O)N2N=C",-11.94526201948842],["▁CN(CCN1CCCCC1)",-11.945275540114864],["▁O=C(NCC1CCOCC1)",-11.945312120657984],["▁O=C1C(Br)=C",-11.945343894823772],["2CC(=O)NC(=O)C2)",-11.94536675575126],["▁O=C1NC2(CCCCC2)",-11.94540196510176],["▁COc1cc(Br)cc(",-11.945515912978486],["[C@@H]3[C@@H]4",-11.945538921451575],["cc2C=O)cc1",-11.945629134227769],["NC(=O)C1(C)CCN(C",-11.945645199094294],["c(C#N)cc3)n2)cc1",-11.94570000995519],["▁CC(O)CN1CCC(CN",-11.945716981529724],["[nH]c2c1C(=O)CC(",-11.945759619655488],["C#Cc1nc(N)c2ncn(",-11.945798668676366],["nc3c2CCNCC3)",-11.945830963256858],["C2(N(C)C)CCCCC2)",-11.945834825340263],["C(C)(C)C(=O)N3",-11.945855005454334],["▁N=C(NCCC[C@H](N",-11.94586113569533],["cc3)cn12",-11.94600475936474],["(-c2ccccc2)c2c",-11.9460344236875],["-c2nc3c(=O)n(C)c",-11.946191531668342],["c4ccc5ccccc5n4)",-11.946211783973826],["▁O=c1c2ccc(O)cc2",-11.946214437962036],["c3nc(-c4c",-11.946304802897902],["Cn1c(C)c(C)c2c",-11.946505233933571],["▁C=CCn1c(=O)c(",-11.946555068691794],[".O=C(O)CC(O)",-11.946558129393113],["/C=C1\\SC(N",-11.946592908166052],["SCc3nc4ccccc4n3",-11.946800070691134],["N(C)c2nc(C)nc3c2",-11.946809371980914],["C(=N/O)",-11.946848906362446],["▁C=CCn1c(-c2ccc",-11.94693258262887],["C[C@](N)(C(=O)O)",-11.947109273919956],["CN2C(=O)NC(C",-11.947198371517285],[")NCc1cccc(Cl)c1",-11.947256098839352],["nc(Cl)n2)cc1",-11.947279805076816],["n4cnn",-11.947401296877398],["c2n(CCC)c1=O",-11.947464941832276],[")CC/C=C(\\C)C",-11.947531494439652],["(CC2=NCCN2)",-11.947751026132014],["▁Cc1cc(C)c(C)c(O",-11.948023463666658],["C(C)=C(C)C2=O",-11.948045345204784],["c2cc(-c3cs",-11.948055089948303],["Oc1cc2c(-c3cc(N4",-11.9480609238462],["3cc(C(=O)O)ccc3",-11.948069091989726],["C2CCCCC2C(=O)O)",-11.948071650866911],["▁N#Cc1ncn(",-11.948117571443088],["c1nc(C(C)C)n",-11.948143656257828],["oc2cc3oc(=O)c(C",-11.948166257333904],["3CNC[C@@H]3C2)c1",-11.948261993224332],["(-c2ccoc2)c",-11.948378130594282],["c1cc(Cc2n[nH]c(=",-11.948394304843603],["2c3c(cccc31)CCN2",-11.948433683047556],["▁O=C(NCC1(",-11.948537963210503],["(F)ccc23)CC1",-11.948552015221184],["▁O=C(Nc1ncccn1)",-11.948705542200138],["▁Nc1nc(CCC",-11.948739295240236],["(N)[nH]c(=O)c2c1",-11.948766000138196],["▁N#Cc1c(Cl)cccc1",-11.948826482161133],["C1CC=CCC1C(=O)O",-11.948832516647975],["n2c(C3CCC3)n",-11.948879470658223],["▁COC(C(=O)N",-11.948978543196088],["C(C)(C)[C@]12C",-11.9490295810214],[")N1CC2(C",-11.949063818482529],["▁CCC(CC)=N",-11.949074268722114],["▁C[N+]1([O-])",-11.949084352595229],["C2CCC(O)CC2)",-11.949151315691347],["CCCCC(C(C)O)n1cn",-11.949193768093398],["▁C=C/C(C)=C/",-11.949215449408268],["▁CC(C)NC[C@H](O)",-11.949294084942744],["N/N=C(\\C#N)",-11.949319620161422],["(/C=N\\O)c",-11.949339563994414],["CCCNCCCCNCC",-11.949383771279605],["nc(C)c2cc1OC",-11.949487849857883],["c3[nH]ccc3",-11.949517390785294],["C[C@H]2C3)",-11.94956561015128],["C2Cc3ccccc3N2",-11.94974362801424],["▁CCn1c(C)nnc1",-11.949827691382914],["CSc1nc(N)c(C#N)c",-11.949881597354103],["c(-c2nc3ccccn3c2",-11.949944799830783],["▁C[C@H]1CCC/C=C/",-11.950039131832066],["▁O=C(CCCl)N",-11.950057000289355],["NC(=O)CSc1nccn1C",-11.9500634189391],["▁Cc1c(C)n(CC(O)C",-11.950076525697822],["▁Cc1cc(-n2cc",-11.950128394739597],["nc3cncnc32)",-11.950139995298253],["cc3C(F)(F)F)CC2)",-11.950195432915155],["CCN1C(=O)CC2(CCC",-11.950290777534056],["ccnc2[nH]1",-11.950335699588685],["c1cnccn1)CC2",-11.9503530378601],["c1c(O)nc(O)nc1",-11.950356068247524],["c(/C=C2\\NC(=O)N",-11.950495370884312],["Cn3ccc4ccccc43)",-11.9505119546536],["(N3CCC(N)C3)",-11.950589953215506],["CN(Cc1cnn(C)c1)",-11.950653729845987],["(-c4cccc(F)c4)",-11.95074377120863],["(N)=O)CCCC3)",-11.95079269133149],["CCC[C@H](N)C1",-11.95079533262897],["3)cc(=O)oc2c1",-11.950798919868188],["c2ccnc3[nH]",-11.950879219748964],["Oc2ncnc3ccccc23)",-11.95091844464111],["1C(COCC1CC1)CN(",-11.950973880145586],["[C@H]1C[C@@H]",-11.950999936945768],["cc34)[nH]c2c1",-11.95102333006546],["CCCCNCCO",-11.951090292045114],["[C@@H]3[C@](C",-11.951133102148658],["c31)CCC2",-11.9511654348156],["▁C=C1CC[C@@H](O)",-11.95127670788687],["nn(C)c1-",-11.9513029108099],["▁Fc1ccccc1N1CCN(",-11.951385012681444],["▁O=C1CCc2ccc(OCC",-11.951467988360893],["c2c(c3ccccc3n2C)",-11.95149470430846],["c2cc(F)c(Cl)cc21",-11.95151245311034],["C(O)C(N)C",-11.9515929800094],["c(NS(=O)(=O)c3cc",-11.95171226739446],["C(=O)Nc2cc(C)nn2",-11.95182037013684],["(-c4cn[nH]c4)cc3",-11.951844185613746],["C[N+]2(C)CCCC",-11.95184545289875],["c1nnc(O)nc1O",-11.951937841716472],["c2cc(NC(=O)/C=C/",-11.951989419474817],["CN[C@H]2CC2c2ccc",-11.952007175721766],["c1nc2ccc3ncnc(N",-11.952083496302564],["C(O)CNC(C)C)",-11.952122654956217],["4CCc5ccccc5C4)",-11.95214902210149],["CSc2nnnn2C)cc1",-11.952226323481955],["2)cc2ccccc21",-11.95222781474489],["/C=C(O)/C=C/c2cc",-11.95244173093248],["c2sc(N3CCN(C(=O)",-11.952461152076514],["/C=C/c2cc(O)c",-11.952529549000271],["[C@@H]3CCCN4CCC",-11.95255759275834],["c2cc(N(C)C)ccc2",-11.952609014615572],["▁OC1CCCN(",-11.952665449515669],["(C(=O)Nc3cccnc3)",-11.952725194142635],["nn1-c1nc",-11.952755967520146],["c3cc(-c4ccncc4)c",-11.952775028914765],["C1Cc2ccccc2C(",-11.952796611471983],[")cc2nc1NCC",-11.95284538042948],["[C@H]1CCC[C@@H]1",-11.952959687419328],["c2cc(O)c(OC)cc2",-11.95310430004666],["c1cc(F)cc(F)c1F",-11.953108820091638],["C3C=CC=C",-11.953164519047982],["Oc1nc(N",-11.953169358996703],["N2Cc3ccccc3CC2",-11.95318892274559],["c1ncccc1Cl",-11.95328006321308],["▁CC(C)C[C@@H](N)",-11.95329550482787],["cc2/C1=C/c1ccc",-11.953391571537646],["nc(-c2ccco2)oc1",-11.953431593123463],["▁CN1Cc2cc(",-11.95347066952868],["N1CCC(c2nccn2C",-11.953505075582449],["▁CCOC(=O)CC1C",-11.953522277915472],["nc(N2CCCC2)",-11.95369364067591],["([O-])=N",-11.953909686373546],["2CS(=O)(=O)CC2N1",-11.953937683672509],["▁COc1ccc(-n2cc(C",-11.95402962957376],["CCc2ncsc21",-11.95405378891828],["[C@H]1OCCN2C(=O)",-11.954193217323985],["c1ccc(C(=O)O)s1",-11.95439662472678],["C)c(OC3CCCC3)c2)",-11.954401875928298],[".O=C(O)CCC(=O)",-11.954415812573243],["NC(=O)C3CC3)cc2)",-11.954658870197743],["Oc1cc(C)c(Cl)cc1",-11.954695622834766],["▁CCN1CC[C@@]2(",-11.954786607074023],["c([C@H]4CNCCO4)c",-11.954861332504136],["▁Cc1nc(CN2C(=O)C",-11.954910349699048],["NC[C@@H]1OC",-11.954930717237772],["c2c(C)nc3scc",-11.954975983888474],["[C@@H](COC(N)=O)",-11.954997065604132],["c2nnc3n2N=C(",-11.955130228851788],["CC(C)(C)C2)c1",-11.955337827895995],["C2(O)CCN(C(=O)",-11.955388408896445],["c3ccoc3)CC2)",-11.955439775963791],["Nc2ncnc3c2ncn3C",-11.955457754533008],["CN2CCC3(CC2)OC",-11.955622515122542],["C4CCC3",-11.955699742974488],["CN2C[C@H](OC",-11.955841170589746],["C1=Nn2c(nnc2",-11.955911189161643],["N(C)CCN(C)C)",-11.955940544974162],["C/C(C)=C/COc1cc",-11.955971541639084],["▁c1ccc2nc",-11.956220794633092],["C)nc2c(c1=O)",-11.95625568453914],["n2cc(C=O)",-11.956270023568289],["▁Cc1c(CN(C)",-11.956369945955355],["Cc2ccccc2[C@H]1",-11.956382482525584],["cc2O)=N1",-11.956477316655617],["c2c1CCC(C)C2",-11.956545112694016],["▁CNc1nc2c(",-11.956595750031347],["c1cc(C)c(O)c(",-11.956683656568584],["c(C)cc(OCC(=O)N",-11.95673240453256],["[C@@H]1NCC",-11.956749764703222],["c3c[nH]nc3-",-11.956767515099797],["▁CN(C)c1ccc(/C=C",-11.956899279392047],["N2CCCS2(=O)=O)",-11.95692262665653],["▁c1ccc(-c2nc(N",-11.95696255421716],["[C@@H]1COc2nc",-11.957158158960734],["-c3cccnc3)cs2)c1",-11.9571639570243],["Cn1cc2c(n1)CCCC2",-11.95718944934833],["▁CC(C)Cc1noc(C",-11.957200937368238],["▁CNC(=O)c1c(N",-11.9574305715313],["N1CCCC(O)(C",-11.957502789486371],["nc3[nH]ncc23)cc1",-11.957552392067218],["nc2[nH]ccc12",-11.95756631634954],["▁CC(C)(CCCC",-11.957692260967782],["no[n+]([O-])c2c1",-11.95769874173014],["ccc2C(=O)N1O",-11.957856651397703],["SC(=S)N(C)C)",-11.957951017738075],["▁CC(C)CNc1nc(",-11.958089788802646],["C(C)(C)CC(O)(C",-11.95831907480515],["c5ccccc5[nH]4)c",-11.958355396092404],["-c1cc(F)cc",-11.958391091202673],["c3c(F)ccc(F)c3",-11.958467257319557],["CN(c4ncc",-11.958476069303192],["▁Cc1ccc2c(O)c(",-11.958633362464546],["c(-c4cs",-11.958709013117398],["(=O)c1c(O)cccc1O",-11.95885305645806],["C(=O)C(=NN",-11.95889669220074],["(CCC(=O)O)cc3)",-11.958900171841812],["▁CCOC(=O)c1nnn(C",-11.958955712116314],["c1ccc2cc3ccc(N",-11.958960423540969],["▁Cn1cnnc1S",-11.95899037570479],["C[C@H]32)cc1",-11.959187260515838],["c3[nH]c4c(c3c2)C",-11.95929507610846],["c2cnn(CC)c2",-11.959303456193874],["c1c(N)cccc1",-11.95946804923637],["N1Cc2nccn2CC(C",-11.959573312936184],["c(-c4cccnc4)nc3",-11.959806224099244],["c2c(cc1F)OCCn1c",-11.959982823624737],["=C1Cl",-11.95999164290066],["(C2=NOC(",-11.960039318080948],["(N3CCN(CCO)CC3)",-11.96006938451306],["4c(cc32)OCO4)c1",-11.960084815578766],["c1ccc(OC)c(F)c1",-11.96025324356615],["3c(=O)n(-c4cc",-11.960341556339069],["n2c3c(cccc13)",-11.96048074447544],["n(Cc4ccccc4)nn3)",-11.960495700529766],["c2ncn1C",-11.96067678156542],["CCC[C@@H]2[C@H]1",-11.96068901991785],["\\c1ccco1",-11.960715830570033],["CCN2C)cc1OC",-11.96096086569264],["Cc1c(OC)nc2nc(",-11.96096462224499],["▁C=CCn1c(N)c",-11.96101956629394],["c(-c5ccccn5)",-11.96105279650192],["c2ccnc(N(C)C)c2)",-11.961081358257257],["[C@H]2CNC[C@H]2N",-11.96126650397092],["N1CCn2nc(C",-11.961433250878764],["▁CCOc1cc(-c2c",-11.961662658050509],["nc(C2CCCN2",-11.961711853377556],["Nc1ccc2ncc(-c3cc",-11.961909987319864],["c(F)cc32)c(C)c1",-11.961928343469951],[")c(C)c1CC(=O)NC",-11.96206206373907],["C)c(C)c(=O)oc2c1",-11.962082133070766],["CSc1ncnc2c1cnn2C",-11.96228096107924],["cn2c(CSC",-11.9626318332773],["(C)nn3c2",-11.962702197965008],["▁CN1C(=O)NC(",-11.962789416243318],["([C@H]4CNCCO4)cc",-11.962812578132366],["▁O=C(O)c1nn(C",-11.962840984025082],["(=O)N(Cc3ccccc3)",-11.962914260825375],["[C@H]1CO[C@H](",-11.962931623103788],["▁CCCNC(=O)c1cc(",-11.962940739323397],["c4cc(C(=N)N)ccc4",-11.9630081567476],["▁Cc1ccc(-c2nnc(-",-11.963009623006654],["c(N2CCCNCC2)",-11.963035722915484],["c2cncc3sc(",-11.963175867282366],["(c1nnnn1C(C)(C)C",-11.963262959396411],["cc3oc2=O)",-11.96326486681604],["CSC2=NCCN2)cc1",-11.963409570947336],["oc(-c4ccccc4)n3)",-11.963422450586824],["c1ccc(OCCO)cc1",-11.96357789684458],["▁C[N+]12CCC(CC1)",-11.963585837271006],["c(OCC4CC4)c",-11.963592441931054],["-n2nnnc2SCC(=O)",-11.963597549619818],["CC2C3CC[C@H]4C",-11.963687278356828],["c(-c4cc[nH]n4)",-11.963742707297724],["(Cl)cc2Cl)n[nH]1",-11.96375588281829],["c3)[nH]c12",-11.963775552764115],["c(N)c2C#N)cc1",-11.963797500946558],["O[C@@H]2COP(=O)(",-11.963805061372376],["(-c2nn[nH]n2)",-11.963922191230862],["c(-c2c(C)nn3c(N",-11.963941945761183],["CC(N)(CO)",-11.963998061741105],["c2ncccc2C#N)",-11.964010325860334],["NCCC3=CCCCC3)",-11.96402520207832],["[C@H](CCN)",-11.964042306286778],["[C@]13CCN(CC4CC",-11.96416372758478],["(c1=O)",-11.96425937594066],["C2Cc3ccccc3CN2",-11.964382673959468],["cc3)cncc2s1",-11.964396382001077],["c(NCCc2ccccc2)n",-11.964402968045746],["Cn1c(=S)sc2",-11.964486635135614],["c(C23CNCC2C3)cc1",-11.9644997269932],["▁C[C@@H](Oc1c",-11.964500896281812],["(O)c(OC)c2)cc1",-11.964524105565165],[")C=CC(C)(C)O3",-11.96459474713451],["N(Cc3ccco3)C(=O)",-11.96464826125991],["▁C=C[C@]12C",-11.96466072826997],["▁Cc1ccc2nc(O)c(C",-11.96468903629354],["c3ccccc13)CCC2",-11.964715956427815],["c(NCc4ccco4)",-11.964716699504129],["(/C=C/C(=O)NO)cc",-11.964923824800245],["(-c3cccnc3)nc2c1",-11.964984759936732],["CNCC3)cc1",-11.96508374465834],["c1cc2c([nH]1)CC",-11.965175617217136],["▁Br.N=",-11.965220757808666],["CCCc1c[nH]cn1)NC",-11.965225774541576],["(C#N)c(C(F)(F)F)",-11.96522659658467],["-c2cc(C(=O)Nc3cc",-11.96526241237044],["n2-c2cc(OC)c",-11.965331502869146],["C3(C(=O)O)CC",-11.965388929157893],["c(C(F)(F)F)o1",-11.965411248855457],["C/C=C1/c2ccccc2C",-11.965484436985689],["c2n[nH]c3c",-11.965485399593843],["=C1CC(C)(C)CC2=O",-11.965541645958602],["CNCCO[C@H]1",-11.965611688200822],["SSC(=S)",-11.965655031174318],["NCc2cccnc2N(C)C)",-11.965666003221257],["C(=S)NC(=O)C1=CN",-11.965733462729409],["c(C(=O)N3CCCC3",-11.965875532112918],["CC[C@@H]2O)cc1",-11.965895499675044],["nc(C3CC3)o2)cc1",-11.965932094516],[")c(=O)c2cc(F)c(-",-11.965935688058371],["c2cc3c(s2)CCCC3)",-11.966005576864037],["c1cc[n+](C)cc1",-11.966010328846677],["Cc1c(C)c2ccc(OC",-11.966030271243577],["c2c(-c3ccncc3)c",-11.966080987212042],["CN(Cc1ccc(F)cc1)",-11.966330917680708],["P(=O)(O)CC(C",-11.966393877759682],["▁COc1cc(/C=N\\N",-11.966453710373058],["▁CCOc1cccc(-c2cc",-11.966518153352002],["C12C3C",-11.966518425332984],["▁c1ccc(C2(",-11.966541393781712],["c4ncccc43)",-11.966716574777063],["[nH]c3ncnc(N4CC",-11.966816972899172],["▁CSC1=N/C(=C\\",-11.966830673599954],["[2H]",-11.966956978647609],["N2CCCC2)[C@@H]1O",-11.96696750945217],["▁S=C(NC1CCCCC1)",-11.967150480554707],["N3CCCOCC3)",-11.967162319416282],["CN2CC(C(=O)O)C2)",-11.967288731776168],["Nc2nc(C)cc(N",-11.967338638494397],["c(-n2nc(C)cc2C)n",-11.96739531683816],["c1ccc2nnc(",-11.967415812423944],["2OCCO2",-11.967436514101438],["[C@@H]1O[C@H]",-11.967483255548215],["@+]",-11.967554960342328],["▁Cn1c(=O)cc(N",-11.96769148277196],["2CCN(C(=O)Nc3ccc",-11.967721327266403],["C(c2c(O)[nH]c3c",-11.967758866487932],["c5ncc",-11.967886259586654],["cc2Cl)nn1",-11.967920100568987],["c(CN2CCOC(C",-11.967925667893304],["c1ccc2oc3ccc(C(=",-11.967961148940756],["C1=CCN(S(=O)(=O)",-11.968128485306682],["▁O=C1NCCn2",-11.968129321393622],["OC(=O)C(C)(C)C)O",-11.968169313608954],["▁Cc1ccccc1-n1c(C",-11.96828185261521],["c3c(F)cccc23)",-11.968379808232024],["sc4c3",-11.968382954775652],["1CCC(c2c[nH]c3cc",-11.968504975517234],["oc23)CC1",-11.968573614035517],[")C(=O)CCC2",-11.968676058259849],["CCC[C@@H]1NC",-11.968695804424094],["C3CCC2(C)",-11.96876479861989],["OC12CCCCC2",-11.96882638567262],["c(-c2n[nH]c3c2C",-11.968873068828902],["2c(cc1OC)-c1c",-11.96911346320805],["CCc3cncn32)c",-11.96914559102305],["3CCC[C@@H](N)C3)",-11.969284978229],["c2c3c(c4ccccc4",-11.969539163942086],[")NC(=O)NC1CCCC1",-11.969554014223212],["(C)(C)CC[C@@H]2O",-11.969562737697778],["▁O=c1cnn(-c2ccc(",-11.969636762046903],["nc(C(F)F)",-11.969667023043382],["c(-c3cncc(F)c3)c",-11.969769737337955],["c1ccc(-n2cccc2",-11.969789053945682],[")c2c(c1)OC(C)(C)",-11.969841769358734],["C3)c2cn1)c1cccc",-11.970216253932334],["c2nc[nH]c(=O)c2",-11.970235724981132],["(-c2cccs2)on1",-11.970248152946168],["▁O=C1CC2(CC",-11.97044286063768],["[C@@H]3O[C@@H]3",-11.970549570637347],["[N+]([O-])",-11.970735256878188],["▁Oc1ccccc1C1=N",-11.970757295777991],["c3nc4ccc(Cl)cc4",-11.970758289712748],["(OO1)",-11.970816326278689],["▁N#Cc1cnn2c(N",-11.971040668559413],["CCN1C(=O)CN=C(",-11.971184628401204],["(CNCCCN",-11.971228927327203],["▁Br.CCCN(CCC)",-11.971404989522611],["2OC3",-11.97144183346754],["(C)=C/C(=O)O)",-11.97152375220952],["(O)c3ncccc23)cc1",-11.97171337258893],["4CCC3C4)",-11.97194969172836],["N2CC3CC(C2)",-11.97238488230325],["▁CN(C)CCC1C",-11.972439144240138],["▁C=CC(C)(O)",-11.972479838509518],["c3ccccc3C1)C2",-11.97252103868157],["▁COc1cc(CN2CC",-11.972562268938905],["C(C(=O)NO)C(=O)N",-11.972576448467398],["c1ccc(Cl)c(O)c1",-11.972597292337836],["CN2CCC(c3c",-11.972712949380616],["(O)cc(O)c3",-11.972713075765007],["▁Cn1c(=N)n(C",-11.97274372114746],["cc2-c2nc(C)",-11.972820040258034],["CCCCCCO)",-11.972896770633628],["ncc(-c2cc3c(cn2)",-11.972899096818892],["[nH]c2=S)cc1",-11.97290718482055],[")C1=C(CC",-11.973001824130248],["N2CCC(c3ccccc3)C",-11.973010844081132],["/C=C3/",-11.97311720195551],["▁CCCC(c1nnnn1C",-11.973140378836984],["CCCC/C=C(\\NC(=O)",-11.97320866135255],["c2cccc3c2N(C",-11.973349257029032],["N1CCCN(C)CC1",-11.973381634433975],["n3cnc4c(N",-11.973397772042729],["1CC(=O)NN=C1c1cc",-11.973463681366749],["▁C=C(Cl)C",-11.973529420194224],["C1=NC2(CO1)c1cc(",-11.97353354521922],["▁COc1ccc(-n2nc3",-11.973564103474631],["C2=CC(=O)C(C)(O",-11.973624194214198],["c3c(c2c1N)CC",-11.973669968052414],["[C@H](CSC)",-11.973771051244396],["O[C@@H](n2",-11.97390499853763],["▁CCCCNC(=O)C1(C)",-11.97408421313392],["▁O=c1c(/C=N/",-11.9741116354226],["c1cc(C=O)c",-11.974126887894508],["N2CCCCC2)c(",-11.974223421793845],["c2nc(N)ncc2",-11.974235599175667],["N2CCC3(CC2)CN(",-11.974431694699703],["▁CCOC(=O)C1=CN(C",-11.974508550496148],["c1c-2cc",-11.974582613338889],["cc2)n2ccnc2)cc1",-11.974853491114375],["▁O=C(c1ccco1)N(",-11.975012204333396],["/c(=C/",-11.975244615960566],["(Cn3cncn3)",-11.975300496038818],["c(-c2[nH]nc(C)c2",-11.975340594051218],["@](C)(O)C(=O)C2",-11.975380883570168],[")N1CC(O)C1",-11.975456766370094],["/C1=C(\\",-11.975540646859791],["2=C(C)C3(CC3)[C@",-11.975615312974076],["[n+]2noc([O-])c2",-11.975632568747034],["c3c1ccn3C)C1CCC2",-11.975632587109049],["▁O=P([O-])([O-])",-11.975632588333182],["O)O4)c(=O)nc3o2)",-11.975632625910652],["c4c(c5ccccc53)CC",-11.975632718187455],["NC(=O)/C3=C\\",-11.975632767443498],["c1c3c(cc4c1",-11.975632906447258],["c2cc1Oc1ccc(cc1)",-11.975633708877842],["c1ccc2c3n(nc2c1)",-11.97563582971102],["C2=NCC(C)(C)CN2",-11.975636414604253],["CC2CCC1(C)C2(C)C",-11.975639042395164],["(COCC4CC4)c3C2)",-11.975644110399726],["c4cc(C)on4)",-11.975645736154677],["[C@H](C2)N(C)CC3",-11.975652097201474],["3c4ccccc4CC3C)",-11.975653396364926],["Sc1nc(O)c(C)c(C",-11.9756576249671],["N3Cc4ccncc4C3)",-11.97567977745382],["c(/C=C4\\NC(=",-11.975695505135796],["c1cc3ccccc3nc1-2",-11.975706068820806],["▁CCCCCCN(CCCCCC)",-11.97572233322525],["▁C=C(C#N)C(O)",-11.975733354274285],["(Cl)c(CC)nn2C)",-11.975780058163378],["N2CCCN=C32)",-11.975803596396442],["OCC1(CO)C/C(=C\\",-11.975808277777835],["1)OCCO3",-11.975823459151115],["[C@@H]2CCCNC2)",-11.975849452220965],["(=O)n(C)c(N)n3)c",-11.97585875718864],["C1)c1cccc3c1N2CC",-11.975862375844436],["nc(SC2CCCC2)",-11.97586822719456],["1CC(C)CC(C)C1",-11.975888601285144],["▁COc1cc(C=O)c(OC",-11.975929466407424],["▁Cn1s/c(=N/",-11.975932699103906],[")c(-c2cc(CC=C)cc",-11.975968808698635],["c3ccc4nonc4c3)",-11.97596892533539],["CO)O2)c(=O)nc1N",-11.9760490742205],["▁O=S1(=O)Nc2c(cc",-11.976124748054584],["c3cccc[n+]3[O-])",-11.97613236161972],["c2ccc3c(c2)CCCN3",-11.97618859463313],["Cc3ccccc3-4)",-11.976203432351909],["▁COc1ncc2nc",-11.976222543622857],["c(C2C(Cl)C(=O)N2",-11.976234053571574],["c3nc(C)c(C)nc3",-11.976273675669752],["▁O=C1C=C(O)C(=O)",-11.97632023427437],["C1=CCN(C)CC1",-11.976366598287974],["(CC)c(C)[nH]c1=O",-11.976430588769151],["2CC3CCC(C2)N3)",-11.97646090775299],["2CC(c3cccs3)=NN2",-11.976614498946802],["c(CC(=O)O)c(C)n2",-11.976636856849948],["c2cc(C(C)C)ccc2",-11.976647346970935],["n2ncc(C#N)c2N)",-11.976732972954066],["▁O=C1CC2(C(=O)N",-11.97673318033488],["c1cc(Cl)nc(Cl)c1",-11.976774863179076],["c2nc(N)sc12",-11.976776891038648],[")oc1ccccc12",-11.97692089730938],["c4ccco4)ncnc32)",-11.976955731708491],["c2cc(CN3CCOCC3)",-11.97704576577118],["3)C2)nc1",-11.977066555570142],["5)nn34)cc",-11.977080603345916],["c2ccncc2Cl)",-11.977095777139336],["(=O)n4ccccc4nc3",-11.97712993836672],["[C@H]1NCC",-11.977140520154563],["C(=O)OC)N3C)cc1",-11.97714831677752],["c2cn3cccnc3n2)c1",-11.977235511669818],["CNC(=O)N1CC(=O)N",-11.977252568713388],["c1nc2c(c(NC",-11.9772866984984],["▁Nc1cc(Cl)nc(",-11.977355197318929],["-c2ccnc(NC",-11.977355857824383],["N=C2c2cccnc2)cc1",-11.977361510973328],["N)c2nccc(C)c2c1",-11.97736970740976],["Cn1nc(-c2ccc(C)",-11.97739187095412],["c3n2CCC3C(=O)O)c",-11.977456941876213],["@H]2CCCN2CC)c1",-11.97752285059764],["▁COc1cc2c3c(c1)",-11.977599287526475],["CS(=O)(=O)C3)cc1",-11.97764504575631],["▁Cc1c(F)cc(C(=O)",-11.977713358010112],["CCC[C@@H]2N)",-11.977737324262016],["c1cc(/N=C/c2c",-11.977757304040248],["(F)cc3)CC2)c1",-11.977925231507529],["c2nc(C)nc(N",-11.97796027563404],["c2ccc(C(=O)O)o2)",-11.977963008728144],["▁CCOP(=S)(",-11.978010450219596],["COc2cc(F)c(",-11.978052452490331],["CCC[C@@]2(C)C1CC",-11.978102834224792],["N2CCC(c3nccn3C",-11.978111679810247],["C2(Oc3cc",-11.97811939972554],["N(c4cnccn4)CC3)",-11.978127824955116],[")CCC[C@]2(C)",-11.978215469823873],["c2cc(S(C)(=O)=O)",-11.978245867264851],["c(-c2cc3c(s2)",-11.978266798198506],["(C)C)N1C",-11.97850994092105],["▁CCCN(CCC)[C@@H]",-11.978538323545424],["c1ccc(C2SCC",-11.978677472412482],["c(OCC)cc1NC(=O)",-11.978683670401397],["▁B",-11.9787049534028],["c2ccc3nonc3c2)",-11.978709690847454],["c1ccc(N=C=S)cc1",-11.978770540901188],["[C@@H](C(N)=O)N1",-11.978921640031784],["Sc3ccccc3N2C",-11.979028465996926],["@@+]",-11.979183896254453],["nc2ccc(Cl)cn2c1",-11.979240778967103],["cc(-c3noc(Cc4c",-11.979287890064946],["c(-c3cccn3C)",-11.97932763496718],["Cc2nn(C)cc21",-11.979331513178796],["▁Fc1cnc(N",-11.979341474063824],["ccc[n+]2C",-11.979452165937024],["▁N=C(NO)N",-11.979473231405237],["C1SCCN1C(=O)",-11.979611763406435],["▁CC(C)c1onc(",-11.979741633796287],["C3=NCCN32)cc1",-11.979845850475424],["c1cnc(N2CCN(",-11.979882410405082],["▁Nc1[nH]cnc2",-11.979917022574435],["c1ccccc1)=N/",-11.979996603677485],["c1cc2ccccc2nc1SC",-11.980016507100368],["c3cc4ccccc4cn3)",-11.9800340314929],["noc2C)nc1",-11.98008551834451],["C(=O)c3ccoc3C)",-11.98008969988812],["COc2cc(OC",-11.98012396757566],["2CCCCC2Cn2cccn2)",-11.980184438929722],["▁Cc1cc(/C=C2/",-11.980226420890824],["Cn1c(C(F)(F)F)n",-11.980245769464208],["c(=O)ccn1C",-11.98030798219926],["[C@H]3C(C)(C)CC",-11.98031355703464],["c3ccnc4cc",-11.980382130829833],["c2ccccc2n2c(SC",-11.980401296608433],["(n2cnc3c(NC4CCCC",-11.980471200292447],["nnn2-c2cc(OC)c",-11.980516942414296],["N(Cc1cccc(O)c1)",-11.980594053341893],["Cc1cc2cccc(C)c2",-11.980595711079976],["n1cc(Br)cn1",-11.980713424499726],["C(=O)C(C)O2",-11.980866761354308],["-c2c3c(cc4c",-11.980889404543396],["c2c(N)n[nH]c2",-11.980914687154446],["(OCc2ccccc2)cc1)",-11.98093958524126],["▁CN1CC=C(c2c",-11.98094068295578],["C#N)N1C(=O)CN",-11.980962887047747],["2c(s1)c1cnn(C",-11.981053991303623],["Oc1ccc2oc(=O)",-11.981128058304018],["c2sc(Cl)cc21",-11.9811532689036],["▁Cl.N=C(N)c1ccc(",-11.98121078278662],["1CCn2c(",-11.981259556489324],["c2c(C)cc(=O)oc12",-11.981290950991808],["c4nc(N)nc(N)",-11.981437003728118],["CCCCN2CCCCC2)cc1",-11.981437619271704],["cc32)[nH]1",-11.9815621921042],["c(O)ccn1C",-11.9816275702136],["NC(=S)N1N=C(",-11.98192635318325],["c3nnnn3-c3ccccc3",-11.981937845291911],["▁C(=C1",-11.982001186828583],["N=C(C)C)",-11.982125901180616],["NC(=O)CN2C(=O)CC",-11.98221313873087],["S/C(=N/N=C/",-11.982273493152404],["▁O=c1[nH]c2cccc",-11.982395290885302],["Cc2cc3n(n2)CC",-11.982621621496383],["c2ncn(C3CCC",-11.98269968899261],["c3c(cc2Cl)OCO3)",-11.9830182442091],["▁Cc1cc(-c2cnc(N",-11.983070367858364],["c(-c4nccs4)",-11.983260115803784],["(F)c(Cl)c3)ncnc2",-11.98334176750594],["P(=O)(Oc1ccccc1)",-11.983399725701576],["c(-c3csc(",-11.983535286657006],["C(c3ccco3)C2)cc1",-11.983555695888354],["c2c(c1)sc1c(N",-11.983575244442964],["2CCN(CCO)CC2)",-11.983664063072],["▁Cc1cc(OCC(O)C",-11.983720100028686],["▁CCc1nc(C2CCCN(",-11.98376335670076],["▁CCOC1(OCC)C2c3c",-11.98379196341875],["(-c2ccc3ncnc(N",-11.983848609142193],["N1CCN(CC2CC2)",-11.983946271828549],["▁OB1OC",-11.983955599048356],["c2ccc3c(c2)nnn3C",-11.984055467359902],["C(C#N)(c1ccccc1)",-11.98407228130898],["n(Cc2coc(-c3ccc",-11.984075500087604],["[C@@H](NC)",-11.984104972484522],["ccc4o3)",-11.98413654165119],["cc(Cl)c3)c2c1",-11.984229219578111],["c(CN=C=S)c",-11.984279413974512],["=O)oc2c3c(ccc12)",-11.984328852071783],["-c2nc(-c3cccc4c3",-11.98440112792033],["c2cccn2c2ccccc21",-11.984405907484716],["▁O=C1CC(c2ccco2)",-11.984459737616785],["cc2OC(F)(F)F)",-11.984569749566507],[")OC(C)(C)CC3",-11.98461017841468],["O)O)cc3c(=O)c2c1",-11.984610687527937],["▁Cn1c(=O)c2cc(",-11.984637757531605],["c2cccnc2-n2ccc",-11.984690862557866],["▁O=C(CC1N",-11.984728712708076],["C4CC4)n3)",-11.984818433970869],["Cc2ccccc2C(=O)O1",-11.98486425935757],["▁CC(O)(c1ccc",-11.984926606466088],["c2cc3c(cn2)",-11.984945536678662],["C4)ncn3)",-11.985005494128018],["[C@@H]3C[C@@]2(O",-11.985102448405568],["nc3c2c(C)nn3C)",-11.985229062493149],["c3ccc(O)nn3)",-11.985376426688804],["(=O)c3c(O)cc(O",-11.985399240907055],["CN2C3=NCCN3c3cc",-11.985418075482269],["/C=C2/C(=O)N(",-11.9854425047497],["c(-c4cscn4)",-11.985748665917288],["CCN(CC)C1",-11.985768389441017],["▁Cc1cccc2c(N",-11.98595189973416],["nc(-c2ccccn2)no1",-11.985973298855148],["c3c(O)ccc(O)c3",-11.986029441327124],["O)c(O)c2C(=O)N1C",-11.986096864892444],["N(O)C=O)C(=O)N1C",-11.986201985179312],["c(=O)c3c2O)",-11.9862617951513],["▁Brc1cccc(-",-11.986588936077895],["cn3c(=O)c2",-11.98664196330372],["/C1=N/N=C/c1ccc",-11.986681816292872],["▁COc1c(CNC2CC",-11.986739724580062],["▁O=C1COc2cc(",-11.986755014627676],["1CNCCO1",-11.986843993398653],["n[nH]c2-3)",-11.986940203125034],["c3ccccc3[n+](C)",-11.987035280385632],["▁CN(C)c1nccc(",-11.987051093222496],["c1nc(NCC2CC2)",-11.987134783471756],["▁Cc1noc2ncnc(",-11.987184291722468],["ccc3=O)",-11.987353630303891],["▁c1ccc(Cc2noc(",-11.987370383745072],["n2cnc3sc",-11.987386866523975],["c4cccc5cccc",-11.987401427678735],["[C@H]1C[C@]12",-11.987408135804248],["(-c4nccs4)",-11.98744617205934],["C(=N)C(Cl)(Cl)Cl",-11.987527257902228],["CN(c1ncc(F)cn1)C",-11.987770677691175],["n1ccccc1=O)",-11.98781299936624],["NC(=O)NCCCl)cc1",-11.987933404672852],["(=O)NCN2c1ccccc1",-11.988072493190137],["cc(NC(C)=O)cc1)",-11.988110632799884],["cc2cc3c(nc12)",-11.988317872747304],["(=O)[nH]c1=O",-11.98841984617723],["C2CC=CCC2C(=O)O)",-11.988507790595596],["C(=O)N(CC2CCCO2)",-11.988530219676363],["(C(=O)N(CC)CC)",-11.988558108424504],["▁CC1=C(OCC",-11.988663892615762],["nc[nH]n4)cc23)c1",-11.988787489468994],["=C(CF)N",-11.988911805976375],["c3c(C)c(O)c",-11.989089382932178],["(-c2cnn(C)c2)c",-11.989127494029225],["▁O=C(O)C(CS)",-11.98930112184538],["▁Fc1ccc2nc(N",-11.989366611947696],["c2nc(C)ncc2-c2cc",-11.989413672002964],["c1cc(-n2ccnc2)c",-11.989590551362213],["c4ccc(F)c(Cl)c4)",-11.989616092961716],["-n3cccc32)cc1",-11.98969600607166],["▁CN(C)CCn1c(",-11.989699550097727],["nc(Cl)n2",-11.98989899378286],["CC[C@@]43C)[C@",-11.98993552793106],["c1nnc(SCc2cc(=O)",-11.990034134329722],["C(CCS(C)(=O)=O)",-11.990111514442138],["▁C=C1CC2(",-11.99018657918407],["C1(c1ccc(O)cc1)",-11.990237338285644],["COc1c2ccoc2c",-11.990397612651122],["C(c2ccc[nH]2)",-11.990489598756398],["COC(=O)CCC(=O)CN",-11.99050716693907],["▁CCc1cccc(N(C)",-11.990539621541586],["C2Cc3ccccc3O2)",-11.99066279197279],["▁CC1CCN(c2ccc(",-11.990667499606534],["c3nc4ccc(C)cc4",-11.990730249845049],["c1cnc(N2CCOCC2)",-11.990756248350456],["N3CCC(CO)CC3)",-11.990841210755956],["-c1nc(C)",-11.990872060061571],["/N=C1/C=C",-11.991027390260305],["C1(C)CCC(=O)N1C",-11.991112525640007],["[C@@H](CC[C@@H]4",-11.991141920136918],["3[nH]c(=O)oc3c2)",-11.991220694722694],["(C(F)F)COCC(N)=N",-11.9912950827375],["CN(C2CCOCC2)",-11.991434497861343],["▁Nc1ncnc2n",-11.99164014736355],["NCc1ccc(O)c(O)c1",-11.991686896116768],["c2ccc(N(C)C)nc2)",-11.991740806455054],["N3CCC[C@H]3C",-11.991758266103488],["N(C(=O)C3CCC3)",-11.991771373703957],["c2)c(=O)c1Cl",-11.992053483996482],["▁CC(=NNC(=S)N",-11.992102790245006],["C(C(=O)N1CCCC1)",-11.992186299188678],["c(CN2C[C@@H]3CC",-11.9925040068645],["C2=C(Cl)",-11.99253226272256],["c3c(c(=O)[nH]2)C",-11.99254382385906],["c2c(O)cc3c(c2",-11.992558886432484],["c(OCCN3CCCC3)",-11.992569492603414],["c(Cl)c4)CC3)",-11.99268426335608],["C2OC(CO)",-11.992705416009713],["Oc1cc(C)c2c(c1C)",-11.992738069072166],[")B(O)OC3)cn1",-11.992806383707547],["2CCCN(c3ncccn3)C",-11.992818146985858],["C3COc4ccccc4C",-11.992948756708232],["C2)c(C#N)c1",-11.992983972673152],["CN(C)[C@@H]1C2",-11.9930166114943],[")c1O.Cl",-11.993022755380723],["=C(O)/C=C/C(=O)O",-11.993088003307715],["C(O)CN2CCN(",-11.99308866832411],["(-c3ccccc3)nc3c2",-11.993113076690756],["/N=C1\\C(=O)N(C",-11.993169330112304],["3CCCO3)",-11.993223571148716],["c3ccccc3)ncc1CC2",-11.99326997837425],["▁CCCCCCc1cn(C",-11.993373436650325],["N1C(=O)CCC12CCC",-11.993413576709314],["COc1ccc(/C=C2\\S",-11.993450580882488],["c2-c2ccc(Cl)cc2)",-11.993538352397517],["cc2ccccc2c(=O)o1",-11.993540989071068],["c2cccc(-n3cccn3)",-11.993553079927096],["nc(NC2CCCCC2)",-11.993593319935604],["▁Nc1nc2c(c(N",-11.99367503669661],["c3c(cnn3-c3ccc",-11.993713523912213],["COc1ccc(Cl)cc1Br",-11.993748996849048],["nn(-c3ccccc3Cl)",-11.99388738488249],["c1nncn1-c1ccccc1",-11.9939638099298],["cc(CCC(C)(C)O)c",-11.99397602415291],["C(C2=NCCN2)C",-11.994108425669635],["c3c(N)cccc3",-11.994342641585533],["c4ccc(-c5ccccc5)",-11.994352854054728],["c(Oc2ccc3c(c2)CC",-11.994510575934637],["(CC(=O)N2CCOCC2)",-11.994637482867304],["▁O=C(C[C@H]1NCC",-11.994704946122456],["▁Cn1c(=O)c2c(cc(",-11.994818990567886],["(OC)c(C(=O)NC[C@",-11.994976050948924],["C2(C(F)(F)F)N",-11.995011313262346],["(C)c(O)c(C)c2",-11.995142704514317],["▁Nc1ncnn2c(",-11.995163630850517],["(C(=O)NO)C(=O)NC",-11.995320454175324],["▁CN(C)c1cc(CN",-11.995335006629473],["c(OCC2CC2)c(Cl)c",-11.995355402468046],["=C\\C=C\\C=C\\",-11.995413749924442],["C2=Nc3ccccc3N=C(",-11.99544404619343],["c1cccc(C(=O)O)n1",-11.995479537597506],["N/N=C/c1ccc[nH]1",-11.995544910160962],["=O)cc(-c4ccccc4)",-11.995757491253336],["c(N/C=C\\C(=O)",-11.99576114919125],["ccc3c[nH]nc3c2)",-11.995851843734728],["ccc2c1B(O)OC2",-11.995959016187925],["c1ccc(C2=CC3(CCN",-11.995961723913585],["n1nc(-c2ccco2)",-11.996128427358556],["ccn2c1CC#N",-11.996154902251227],["CO)O2)c(=O)n1",-11.996213841728972],["▁COc1ccc(-n2cnc3",-11.996462489350137],["c(C2CCCCC2)n",-11.996516397394936],["cc(C)[nH]c2c1",-11.996568136318771],["no3)CC2)",-11.996596692057622],["c3cc[n+](C",-11.996729276598169],["=C[C@H]4[C@@H](C",-11.996775599238408],["C(=O)N1CCCCN1",-11.99678341834966],["CCCCC1CCSS1)N",-11.99679552850706],["CN(c4ncccn4)C",-11.99687838795478],["[C@@H]1COC(c2ccc",-11.996901533875835],["C(=O)N/N=C1\\CC",-11.996902639669434],["N(CCC)CCC",-11.99694322194362],["▁C=C1CC[C@H](O)",-11.997110977539592],["c(NC(=O)C4CC4)nc",-11.997275381809413],["NC(=N)N1C",-11.997356938925176],["▁Cc1ccc2c(n1)N(C",-11.997411344393676],["-c2nc3ccccc3o2)c",-11.997428007524984],["C(=O)c2ccc3c(=O)",-11.99749083256747],["1COCCO1",-11.99756395355579],["=C(S)N(CCN(C)C)C",-11.997654453740314],["▁CN1CC[C@]23CCCC",-11.99775723030284],["c1ccccc1-n1nn",-11.998095078946651],["▁C[N+](C)([O-])C",-11.998096027060594],["CSc2ccc3nnc",-11.998166324046048],["cc3c(ccn3",-11.998166670808466],["CN(C3CCCCC3)C",-11.998210522108517],["C(=O)OC)c(NC(=O)",-11.998312985029363],["▁COc1cc(Cl)ccc1O",-11.99833508050824],["C(C)N)cc1",-11.99845558648126],["c1cccc2nc3c(",-11.998465446521784],["O[C@H]2[C@@H](O",-11.998503586919323],["[C@@]4(C)CCC3",-11.998565270801873],["CCCC/C=C\\C/C=C\\C",-11.998641894030378],["3c(=O)cc(C(=O)O)",-11.998787942202616],["c2c3ccccc3[nH]c2",-11.998803513907609],["C(C(=O)NO)c1ccc(",-11.998841898251328],["C1CCC2O",-11.99897354909156],["c(Cc2ccccc2)c(O)",-11.99906282262133],["(C(CC(=O)O)c2ncc",-11.999079746033749],["▁Cc1cc(O)c(-c2cc",-11.999353883900662],["c(-c2c3c(nc4",-11.999356296107033],["CN1C(=O)CN=C(",-11.999360153459255],["C(C(N)=O)=C(C)N",-11.9994041667699],["CN(Cc4nccs4)C",-11.999486457908963],["Oc2cncc(Cl)c2)",-11.99972650786406],["c1ccc(-c2cc(Cl)c",-11.999922868574956],["▁COc1cc(Sc2",-11.999985278420995],["@](O)(CC(=O)O)",-11.999997005280417],["▁O=C1CN(/N=C/",-12.00013291114702],["▁COCc1cc(O)nc(",-12.00039856939848],["CC[C@H]3CCCC",-12.000478828686816],[")[C@@H]34",-12.000602717248816],["c(SC(C)C)n",-12.000777095784176],["c(Cc3ccncc3)cc2)",-12.000853146040876],["▁Cc1csc(-c2nc(",-12.000991705215805],["▁Cc1nc2c3ccccc3",-12.001142679626891],["c1ccccc1)N1N=C(",-12.001314795834055],["cn3n2)CC1",-12.001382923520602],["(CC3)CC4)",-12.001465223841675],["s2)c2cc(Cl)ccc12",-12.00164544454416],["▁CN(CCCNc1cc",-12.001737462186622],["c3nc(-c4ccccn4)",-12.001809097939969],["▁Oc1nc2cc(",-12.002011836619982],["CN(S(C)(=O)=O)C1",-12.00215985748525],["C12CN3CC(C",-12.002318080893286],["NC(=O)C1CC(=O)NC",-12.002637971169046],["C2)oc1C",-12.002701440784277],["c1cc(C2CCCCN2",-12.00281251965011],["▁CC(C)(C)C1=C(C",-12.002857529411768],["C1(CCCCN1CC",-12.002893724444398],["c2ccccc2[n+](C)c",-12.003016581764731],["CC1SC(N/N=C/",-12.003031070590184],["CCc2nnc(CC",-12.003043483861829],["▁Cc1cccc2[nH]c(",-12.00306532264471],["CSc1ncccc1C(=O)O",-12.003226807789224],["c(-c2cn3c(n2)",-12.003448525943147],["nc(N2CCOCC2)nc1",-12.003451950775307],["▁Cc1ccc2c(=O)cc(",-12.00352799626706],["nnn3C)",-12.00367742762867],["(C2CCNCC2)n",-12.003682806488492],["C(OC(=O)c1cccs1)",-12.00370890060291],["B(O",-12.00374892433705],[")c1ccccc1n3C",-12.003752435439363],["[C@H]2O)cc1F",-12.003836557150857],["▁CN(C)/N=N/c1ccc",-12.003838991626504],["Sc1nsc(NC(=O)",-12.003995604252836],["nc(NC(=O)C3CC3)c",-12.004002363483746],["CCC43C)C1CCC2=",-12.00416183425444],["▁CC/C=C\\C[C@H]1",-12.004184974283744],["c2cc(O)ccc2n1C",-12.004262602133586],["NC(=O)CSc2nc(C)c",-12.004266541316085],["cc(C2CCNCC2)n1",-12.004283059030035],["C(=O)Nc2sc3c(c2C",-12.004330553880164],["COCC1CC1",-12.004334116240674],["1CCC2(CC1)NC(=O)",-12.004367591848869],["cc2)[C@H]1CO",-12.004378917780857],["c1ccc2c(c1)OC(CN",-12.004395890284208],["n3nccc3n2)",-12.004475754686997],["c(C)oc2",-12.00452965737638],["c2ncnc3c2oc2ccc",-12.00461577641199],["▁CC1(C(=O)O)CCC",-12.004616489214644],["c3[nH]ccc3c2)",-12.004658912755632],["▁CCOCC(=O)N1C",-12.004691934385802],["NC(=O)CC1C(=O)N(",-12.004760957943702],["ccc13)C2",-12.004765975635683],[")=C1C(=O)C",-12.004787615123554],["c2)[C@H](O)[C@",-12.004798102111396],["OC(C)(C)C=C4)",-12.004816374889511],["(C)CC(C)(C)C2)",-12.004892262213763],["c1ccc(C)c(F)c1",-12.00500735075788],["nc3n2CCCCC3)cc1",-12.005030180704097],["CC[18F]",-12.005353372823125],["▁Cc1cccc(-c2nc(N",-12.00565358775658],["▁Cc1nc(C2CCCN(",-12.005768330624209],["▁NC1CCN(c2nc",-12.005814852185416],["c1nc(-c2cnccn2)",-12.00622158465556],["▁CC(C)n1cnnc1C",-12.00626725020037],["5)nc34)",-12.006268600243736],["[C@@]12CCN(C)C",-12.006321112255376],["▁COc1cc(CCN)c",-12.00635722902539],["(N(C)C(C)=O)",-12.006390082069323],["CCCn1cncn1)",-12.006639735790406],["csc3c2=O)cc1",-12.006671264739296],["Nc1ccnc(Nc2ccc",-12.00670596598406],["c(C(C)(C)N)",-12.006853168268552],["Cn2c(=O)[nH]c3c",-12.006900420472242],["▁O=C1CCC2(CC",-12.006929598670627],["n4ccccc34)",-12.006997445038529],["c1onc2c1C",-12.007030382034582],["c2cncc(Cl)",-12.0071682165725],["▁C[C@@](O)(C(=O)",-12.007204900738396],["c(F)cc3c1=O)",-12.007317827453942],["▁Cc1cccc(Cn2c(",-12.00736242678263],["c(O)ccc3c2",-12.007368326253374],["c2cc(C(C)C)c(O)c",-12.007414887650253],["4C[C@H]5",-12.007422132316112],["c3nc4ccccc4c-3",-12.0074296853471],["c(C)nn2c1C",-12.007444857132317],["C=CC(C)(C)O4)",-12.007814777845306],["c1ccc(-n2cccn2)c",-12.00781936548134],["Sc2ccccc2N1C",-12.00786185180684],["=C(C(=O)OCC)C1",-12.007921352620349],["2C(=O)CCC2=O)cc1",-12.00795552386367],["1CCN(CCCN2C(=O)C",-12.008028097498624],["[n+](CCC[n+]2ccc",-12.008059035602097],["c(C(=O)N2CCC3(CC",-12.008140355498924],["n2cc(I)c",-12.008145770747248],["▁Cc1nn(-c2",-12.008271976629675],["-n2c(SCC(N)=O)n",-12.008320622225645],["c3ccc(CN)cc3)",-12.00841560748232],["n2ccc(=O)[nH]c2=",-12.00846535281729],["c1onc(-c2ccc(Cl)",-12.008524746166678],["c1nc(-c2nccs2)",-12.00857903848007],["cn3C)nc1",-12.008595949573271],["CC(=O)O)c(F)c1",-12.008683825048127],["2(C(=O)O)CCN(",-12.009077911841295],["▁Cc1nnc2c(N",-12.009174532781753],["(C(C)=O)c(O)c(OC",-12.009448751392664],["▁CCN(CCn1cccn1)C",-12.0095383450719],["C2=C(C#N)",-12.009640761310084],["[C@@H]2C/C=C\\CCC",-12.009682512464524],["(/C=N/NC(N)=O)",-12.009800189607011],["▁COc1cc2oc(-c3cc",-12.009861575040404],["▁Cc1sc2ncnc(",-12.009918830183132],["▁CC(=O)OC1CC2",-12.0099211936816],["oc(-c3cccs3)n2)",-12.009977578075803],["c3cccc4ncccc34)",-12.010045034503657],["O)NC4=O)c3n2)",-12.010115582036676],["N2C(=O)C3C(C2=O)",-12.010115829984365],["NC1=NC(C)(C)NC(N",-12.010116485339216],["C)SC(=O)C(C)=C1O",-12.010117795662024],["c3ccc4ncsc4c3)",-12.010119070611974],["35C)[C@@H]1CC",-12.010122589054642],["c2c3n(c4ccccc24)",-12.010127829743109],["3CC4CCC(C3)N4C)c",-12.010132043691572],["c3c1OCC3)OCC2",-12.010136131975706],["(O)cc(=O)nc1SC",-12.010144121014566],["C2CN3CCSC3=N2)c1",-12.01014864190748],["▁O=C(CCC1=CCCN(C",-12.010155888460432],["/C(=C\\OC)C(=O)OC",-12.01016671125486],["#[N+]",-12.01016810465462],["CCNC4=O)c2n1",-12.010174460243846],["n4cccc34)CC2)c",-12.010185593941266],["cc(O)nc3cc2N",-12.010218719939209],["cc2c(-c3cnc(-c4c",-12.010239647867692],[")N=C(N)NC2(C)C)c",-12.010305645064042],["▁Nc1n[nH]c(N)c1",-12.010319463901336],["c2nc3n(c2C1=O)CC",-12.01034319783236],["Cn3cccc(O)c3=",-12.010367879185454],["▁CCCCC1(CCCC)",-12.010372946898858],["▁CC(=O)O.N=C(N)",-12.01041229829351],["c4cccnc4)C3)",-12.010434915476957],["▁COc1cccc(-n2c(",-12.010461753136491],["c1cc2c(s1)CCCCC2",-12.010498973715665],["(F)cc2)nc(-c2c",-12.010537884715012],["▁Cc1nnc2n1-c1",-12.010647173173323],["▁O=C1C=CCC(",-12.010650179527536],["N[C@H]1CNC1=O)OC",-12.010666724081482],["(-c3cccs3)c",-12.0106702756633],["c1cc(-c2cccc(OC",-12.01067757733188],["C(=O)c1sccc1C2=O",-12.010704891909642],["N=c1ccn(C",-12.010739755512406],["2nc(N3CCN(C(=O)",-12.010739845513587],["(-c4cnc(N)nc4)c",-12.010749422477804],["c2cc(C)sc2",-12.010752221272217],["▁O=c1c(Cl)c(Cl)c",-12.010833656672771],["(-c2cc[nH]n2)",-12.010838015071885],["c1c(Br)cccc1Br",-12.010869078400429],["Sc2nc(N)cc(N)n2)",-12.01087005337471],["c4ccccn4",-12.01090824725352],["c2cccccc2=O)CC1",-12.010933379382127],["c2c(n1)CCCC2",-12.011003065992142],["-c1nnc(NN)s1",-12.011010005704575],["-n2c(C)nnc2",-12.011067892271438],["c3cncc(F)c3)nc12",-12.011091452719416],["N2CCCCC2)c(Cl)c1",-12.01115380330493],["C2=Nc3ccccc3SC(",-12.011191657472809],["[N+]2(C)C",-12.011275731368196],["3nnc(C(F)(F)F)n3",-12.01139256810627],["▁CCC1Oc2ccccc2N(",-12.011413251861777],["2oc(=O)c3c(c2cc1",-12.011421622322043],["▁CC1CCC(C)N1",-12.011445414296674],["▁CCn1c(=O)cc(O",-12.01145564912634],["c1ccc(=O)oc1",-12.01146028397672],["Cn2ccc3nc",-12.011471246907552],["COC2(CCCC2)OO1",-12.01149272720043],["c(CN3CCN(C)CC3)c",-12.011510356362926],["▁N[C@H]1CCN(",-12.011554049674864],["OC(C)(C)C1=C2C",-12.011578100191898],["C1C2CCC(CC1c1cc",-12.011637093945902],["cc(CN(C)C)c1O",-12.011723323991074],["▁c1cc2c3c(c1)",-12.0117239685313],["c1nnc(C2CCN(",-12.011896733094863],["▁Oc1ccc2ncn(",-12.012008790921255],["c(CC)c1O",-12.012012941860707],["c2cccc(Br)c2)=N1",-12.012016805393465],["(=O)Nc1n[nH]c2nc",-12.012023334221876],["NCCCn2cnc",-12.012090275246438],["▁CCOC(=O)c1sc",-12.012096256798204],["▁CC1=CC2=NCC(",-12.012116455849377],["c3n[nH]c(=S)",-12.012149898271463],["OC2C(O)C",-12.012259636344126],["c2cc(C(C)=O)ccc2",-12.01226995118411],["c2-c2ccccc2O)cc1",-12.012269976018638],["▁CC(C)n1ncnc1-",-12.012284564610974],["-c2cccc(Cl)c2)c",-12.012307114669056],["c3ccccc3NC2=O)",-12.012342866402324],["nnc[nH]4)cccc3",-12.012345775056955],["c4ccc(F)cn4)",-12.01237478506548],["▁CCN1CC(C)(C)O",-12.01241862862685],["c4c5ccccc5n",-12.01242153776766],["▁CC1=NOC(=O)",-12.012549401329554],["c5ccccc54)CC3)",-12.012587521958892],["c3[nH]ccc3c1)",-12.012654930014609],["C2C3CCC(O3)C2C",-12.012728591307344],["4CCC(O)CC4)",-12.012760232874804],["2CCCC3C",-12.012779077466403],["=C2\\C(=O)N",-12.012790957834852],["c(NC(C(=O)c2c",-12.012846353209902],["OOC(C)(C)C",-12.012876331532828],["c2cc(C#N)ccn2)",-12.012902473367168],["Oc1cccc(F)c1O",-12.012927959697802],["Sc2ccc(-c3ccco3)",-12.012937575548218],["cc3c(/C=C/c4cccc",-12.013002904895544],["Cc2cc(C)cc(N)n2)",-12.013311573527814],["2CCCCC12",-12.013452106608169],["C[C@]2(C)[C@@H]1",-12.013455059855742],["nnc4ccccn34)nc12",-12.013535326511896],["ccncc3)c2c1",-12.013547434175136],["CNC(=O)C1(NC(=O)",-12.013575674314916],["▁COC(=O)CSc1nnc(",-12.013631851747718],["Cc1sc(-",-12.013635303558932],["▁CCCC[C@@H](C=O)",-12.013648644884553],["c3c4ccccc4n(C)c3",-12.013654348360069],["C[C@H]3C2)n1",-12.013677528072131],["(COCC3CC3)",-12.013710954124615],["C1=NO[C@@]2(C",-12.013735802960456],["▁CCN(CC)CCn1c(",-12.013804875443334],["[nH]c2c1-c1cccc",-12.013816405061096],["C(=O)c1cc(CC)sc1",-12.014070015238108],["▁COc1cc(C#N)ccc1",-12.014070956167224],["N3CCCC3Cn3cccn3)",-12.014151786194336],["C2CCCCC2)n(COC",-12.014164758747448],["c1c[nH]c([C@@H]2",-12.014294474868084],["▁CC1=C(C)CC(",-12.014406162801386],["▁CCCNc1ncc(-c2cc",-12.014407046394144],["(O)cc(O)c3c(=O)c",-12.014422731413235],["n1c2ccccc2c2c3c(",-12.01449042394034],["-c3ccc(F)cc3)o2)",-12.014542656020794],["C3CC4CC(C3)C",-12.014820873126956],["ccc2cc1O",-12.014943815544996],["(NCCCN)",-12.015007695089222],["3=C4CCC(=O)C=C4C",-12.01510283169726],["c1cccc(-n2c(C)n",-12.01514169981039],["▁CC(Br)C(=O)N",-12.015215960060878],["2CCC3CCCCC3C2)",-12.015227723078588],["1)CNCC2",-12.015283424917545],["C1(CO)CCCN(C(=O)",-12.015317524268388],["cc(-c4ccncc4)c3",-12.015443027174925],["OC(Cn3cncn3)C2)",-12.015495832954958],["C2CCCCC2=O)",-12.015529678566311],["c2ccc3cnccc3c2)",-12.01555268845148],["N3CCC(c4ccccc4)C",-12.01571530095405],["CC[C@H]5",-12.015734987905624],["c3cc(O)ccc3CC1C2",-12.015742154876506],["▁Cc1cc2c(NC(=O)N",-12.01588708002568],["c3nc(O)c(O)nc3c2",-12.015988411783166],["C(C(N)=O)=C",-12.016008680596624],["4[nH]ccc4c3)",-12.01621718183339],["c2/C1=N/NC(=S)N",-12.01623698302206],["OC)OO1",-12.016247847123918],["c5cccnc5",-12.016271484282488],["N1C(=O)S/C(=C/",-12.016288067754148],["C(SC)=",-12.016331657055227],["c(-c3cnco3)",-12.016536597307333],["2CC=C(Cl)CC2",-12.016548670032345],["c3ncc(C)cc3",-12.016678605756296],["c1cc(F)c(O",-12.016688228923396],["[C@](C)(C(=O)OC)",-12.01678617995398],["CC1Cc1ccc(O)cc12",-12.01681036315246],["▁Oc1ccc2c(c1O)",-12.01692716660962],["n(Cc4ccccc4)c3",-12.01694766779622],["N3CCCCC3)cc2)c1",-12.016974545741396],["▁CCCCCc1cn(",-12.017040333297135],["nc(N4CCOCC4)c3",-12.01717892882298],[")c1c(N)n(CC(C)",-12.017203617928162],["-c2[nH]nc3c2C",-12.017211251360813],["▁O=C1O[C@@H](CO)",-12.017245856288586],["(Cc2n[nH]c(=O)",-12.01730543304557],["c2n[nH]c(C)n2)",-12.017337525420604],["▁[O-]/[N+](=C\\",-12.01740573461503],["c1cn2c(cc",-12.017413894015489],["c2nc(CCc3nc",-12.017520556162728],["OC1CCN(c2ccc(-",-12.01760808659235],["c2ncnc(NCc3ccc",-12.01771948179274],[")CC(=O)C(=O)O",-12.017890245381864],["▁CN(C)CCn1cc(",-12.0179149242549],["(-c3cnn(",-12.018049004883643],["▁Cn1c(N2CCN",-12.01806841813024],["cncn2)cc(=O)n1C",-12.01829892823014],["c(NCCN3CCCCC3)n",-12.01854299468874],["c3nc(N)nc(O)c3",-12.01861662531596],["(-c2cccnc2)n",-12.018683941792933],["c1cc2c(nn1)",-12.01873303464436],["Cl)cc1Cl)C(=O)NC",-12.0188437403951],["C[N+]2(CCCC2)CC1",-12.01889765069732],["4)cc23)",-12.018910818406816],["OC)c(OC)cc1/C=C/",-12.018954053969136],["(c1ccccc1C)",-12.018959613827532],["C=C(C[N+](C)(C)C",-12.019004169267555],["CCNC1=O)N",-12.019174130562575],["=CSC2=N",-12.01920102022112],["OC(C)(C)C3)",-12.019285841807331],["1)[C@H]1CCCCN",-12.019430323924736],["▁Cc1cn(C2CC(O)C(",-12.019765202132534],["(N)N1c1cccc(",-12.019780120882256],["▁Cc1nc[nH]c1CN1C",-12.01984421950552],["ccc(/C=N/",-12.019899271740565],["▁N#Cc1c(SC",-12.019966817936814],["[C@@H]3CCc4cc(O",-12.019990665483512],["C1CCCC/C1=N\\",-12.020125067708516],["cc4nc[nH]c4c23)c",-12.020146659868605],["nc2Nc2ccccc2-3)c",-12.02017870592906],["NCC[C@H]1CNC(",-12.02056572869292],["▁CC1=C2CCc3cc(",-12.020568254015698],["Cn1cc2c(n1)",-12.02071728326977],["c1c(C)cccc1Cl",-12.020732304108108],["(OC(=O)C(C)(C)C)",-12.020739012221872],["OC)OCO3)cc1",-12.020762364371846],["c3)c3ccccc3nc2c1",-12.020890210291206],["n2ncc(Br)c2",-12.020914174885071],["(CC=C(C)C)c(O)c",-12.020940145415052],["c(-c2c(C#N)c(N)",-12.02098186012287],["CN[C@@H]1CC2",-12.021396849175687],["-c1ccnc2[nH]c(",-12.021426917632798],["c2csc(C(N)=O)c2)",-12.021589873001956],["▁CC1CCN(C(=O)CO",-12.021600799900536],["▁O=c1[nH]nc2c",-12.021724585628847],["▁CN1CCc2cc(",-12.021735972797458],["3CCc4ccccc4",-12.021776586670972],["▁Cc1cccc2nc(N",-12.021863782709332],["▁Cc1cnc(C(=O)N2C",-12.021869096122275],["CCF)cc2)cc1",-12.021988199951355],["c1cc(NC2CCCCC2)n",-12.02202105398707],["c3c(cc2O)OCO3)",-12.022039679530062],["c(CCC(=O)O)n2",-12.022057920845096],["-c2csc(N)c2C(=O)",-12.022094591340352],["▁CC(=O)N(O)CCC(",-12.022154174857414],["▁Cc1noc(C)c1CSC",-12.02225186744875],["=C(c2ccccc2)C1=O",-12.022466583250898],["OC(=O)C1(C)NC(",-12.022537835584613],["c(N4CCCCC4)cc3)",-12.022582432209578],[")c(CC)nc1N",-12.022605564088025],["C(=O)NCCNCC(O)",-12.022619215911927],["c2c(c1)N(C(=O)C",-12.022668692549262],["c(-n2nc3c(c2",-12.02274782180822],["C4)C(=O)N12",-12.022798008210843],["cc2C(N2CCCC2=O)",-12.022915021387774],["N(S(C)(=O)=O)C3)",-12.022935978821865],["c3nsnc23)cc1",-12.022975513280556],["COc1ccc(Br)cc1Cl",-12.02299431144189],["nc(-c3ccncc3)n2",-12.023049240935508],["[N+](C)([O-])",-12.023137378378417],["4CC5CC",-12.023342673457677],["CNC/C=C\\CNC",-12.02348662887428],["c(-c2nc3ncccn3c2",-12.023587723120166],["2CCCC(N3CCN(",-12.02360384097541],["▁c1ccc(Cn2cc(C",-12.023947189788302],["4)[C@H](C2)",-12.023994469749631],["-n2c(S)nnc2-c2cc",-12.024042244711248],["c3cn(-c4ccccc4)n",-12.02409714204236],["c1ncn2c1Cn1nc",-12.024117513618316],["▁c1ccc(CSc2nn",-12.02430209471422],["Cc3nccs3)C2)",-12.024317879420478],["[C@@H]3C2)nc1",-12.024325802374078],["C1SCC(=O)N1",-12.024417610784448],["(OCCN3CCCCC3)cc2",-12.024548028242489],["nc2c(NC3CCCC3)nc",-12.024556843715194],["3CCC4",-12.024581334862528],["c1ccc(-c2csc3",-12.024907639974971],["CC(O)(CO)C",-12.025025959658398],["[C@H]3O[C@@]3(C)",-12.025090116137962],["[C@@H](N)C(=O)NC",-12.025241066109627],["c(=O)[nH][nH]1)",-12.025259163658829],["OCC(=O)O/N=C(\\N)",-12.025292802561832],["[C@@]3(C)[C@@H](",-12.025303819834235],["c1ccc2c(c1)CC1(C",-12.02530914760728],["c2nc3cc(N)ccc3",-12.025396516726042],["(F)c(F)c3F)",-12.025411999033013],["CC4(CC",-12.025430509476472],["▁Cc1ccc2c(C)c",-12.025443648780303],["c(-c2ccccc2)cs1)",-12.025619481894008],["C3(CCOCC3)C2)",-12.025689194464622],["1CCCO1)",-12.025701317095118],["Sc1nc2cc(Cl)c",-12.025899343700232],["▁Cc1nnc(C)n1",-12.026181214991071],["Cc2cc(-c3cncc(C",-12.026343171021022],["nc(-c3ccoc3)n",-12.026443730132756],["CC(O)CC(=O)CC",-12.026542294213774],["c2ccc(-c3cc(F)c",-12.026562948272533],["▁Cc1cn(C2CCN(C",-12.026815122265928],["c(=O)oc2cc3oc",-12.026818299245598],["cc2c(Nc3ccccc3C)",-12.026880249573068],["▁CCCc1cc(O)n",-12.026954125202264],["ccc34)[C@@H]2C1",-12.026964432467503],["[C@@H]4CCCN4",-12.027039826489736],["Nc1cnc(C(=O)N",-12.02715720685312],["▁O=c1cc(CCl)",-12.027195426381668],["OCCN2CCCCC2)cc1",-12.027381121804138],["c3ccc(O)cc3O2)c",-12.027409577614382],["▁Nc1c(C(=O)O)",-12.027607229244182],["▁Nc1ncc(-c2cn",-12.027806019721034],["▁O=C(c1ccccn1)N1",-12.027824243706885],["2CCN(C(C)C)CC2)",-12.027935853767255],["c(NC(=O)C(C)C)c",-12.028277048569134],["2c(O)c3c(",-12.028286267677084],["CCN1CCCCC1)Nc1cc",-12.028404800272538],["/C=N/n1cnnc1",-12.02843721964574],["C1CCc2n[nH]c",-12.028465091451777],["C(C(=O)O)C(C)C)",-12.02852643931609],["c1cccs1)N1C",-12.028627229751889],["2CC[C@]3(C",-12.028758596383708],["[nH]ncc45)c3c2)c",-12.028794086976],["4CCCC4)n3)",-12.028810226146248],["-c1nnc(NC(=N)N",-12.028923376395284],["▁O=C1c2sc",-12.029059190952378],["c(Sc2ccccc2N2CCN",-12.02928718786454],["c3nccc4ccccc34)",-12.029299773860272],["c(OC(F)(F)F)ccc3",-12.029311388978154],["c2ncc(-c3cccc(",-12.029357901350938],["CN3CC[C@]4(",-12.029376957410475],["c2ccnn2-c2cc",-12.029522083978286],["▁C=CCn1ncc2c",-12.029537476466702],["NCCN21",-12.029673369251952],["n1c(O)nnc1",-12.029695348811256],["c2cnc3n2CC",-12.029714462760769],["(N)nc2[nH]cnc12",-12.029736521240157],["-c2nc3cccnc3o2)c",-12.029754571756897],["CCN(c1ncccn1)CC2",-12.029825187650529],["c(-c2nc(N)ncc2",-12.02987015031649],["c3ncc(-c4ccncc4)",-12.029953073745492],["C1(c3ccccc3)CC",-12.030008328844534],["▁O=c1c2c(nc3",-12.030008578525225],["c(OCCCN4CCCCC4)",-12.03002143726226],["C(=O)c2csnn2)cc1",-12.030038633784349],["nc2ccc(Cl)cc2c1O",-12.03006605620214],["c2c(c1)c1c3n2CCN",-12.030152223073504],["c3ccc(F)c(C)c3)",-12.030197343298433],["[nH]c3cc2Cl)cc1",-12.03022764341241],["c(Cl)cc34)",-12.030316659024525],["2c(cn1)[nH]c1ncc",-12.03034511834834],["n1c(=O)n(CC)c2cc",-12.03036924435794],["(c2ccccc2)OC1=O",-12.030761558627708],["n3nncc3",-12.031037199249155],["c2c(n1C)",-12.031098936409627],["c1cc(=O)c2cc(",-12.03110099032555],["C4CC4)cc3)C2)cc1",-12.031120102071558],["(O)c(O)c(O)c3)",-12.031189510365516],["3c(c1O",-12.031232049606778],["c(O)cc2O)",-12.03148386287275],["c2ccccc2NC1=O)N",-12.03151147656867],["-c3cc(O)cc(O)c3)",-12.03153054652624],["N(CC(F)F)",-12.031533868417792],["(/C=N/N=C(N)N)",-12.031534808822087],["NC(=O)c2sc3nc",-12.03159963730285],["▁CCCCOc1c(OC)cc",-12.031797779605697],[")N1Cc2ccncc2C1",-12.031870958067884],["(OCc1ccccc1)",-12.031876490619188],["CN(CC(=O)N(C)C)",-12.031945247755306],["▁Cn1c(N2CCO",-12.031953902663304],["2CCCC(C(=O)O)C2)",-12.032003056921296],["N1CCCCC1Cn1cncn1",-12.032011096238325],["c4ncnn4",-12.032079641693818],["c4cnn(C)c4",-12.032084500672502],["C3)cc2[nH]1",-12.032133457647316],["NC(=O)NC1=O)C2",-12.032323272488716],["s2)ccc1N",-12.032386813126935],["c2cc3c(cc2O1)",-12.03247679561778],["-c2ccc(C)cc2)no1",-12.032620190869942],["c2)c(=O)c1=O)",-12.032630227895584],["▁Br.NCC",-12.033063978176742],["[C@@H]3c4ccc(",-12.033087484655043],["2(N=C1N)c1cc",-12.03310600468322],["N(C(=O)c4ccccc4-",-12.033196394469066],["C2=C(C(=O)CC(",-12.033362525894429],["cc3cc-2c(=O)",-12.033374801092986],["c1nn(CCO)",-12.033395855851822],["▁N#Cc1cc2c(nc1SC",-12.033429234375154],["nc3NC3CC3)CC2)",-12.033520525283391],["cc(-c2cnc(N)c(",-12.033525607450509],["C(C)=C\\C(=O)O)",-12.033568919616387],["c(-n4ccnc4)cc3)",-12.03383094711786],["(Sc2ccccn2)",-12.033870262211376],["C(=O)N1c1nccs1",-12.033903423209985],["[C@@]1(C(=O)O)C",-12.034102743900256],["nc2n1-c1ccc(O",-12.034111452996086],["c(N/N=C/c3ccc",-12.034178346806872],["c2cccc3c2n1CC",-12.034260316524726],["c(OC(F)(F)F)c1)",-12.03428583901271],["n(Cc2ccco2)c1=",-12.03438515488741],["N=c1c2ccccc2",-12.034405899062012],["▁CCC1(CC)CC(C",-12.034426009293409],["c1ccccc1)C1=C(O)",-12.03448455582992],["c3nc4ccccn4c3",-12.034543093037556],["c2nn[nH]c2",-12.03470019527428],["c2ccc(O)nn2)",-12.034714729261228],["COC(C)(C)O3)",-12.034743562135445],["c(-c2nonc2N)nc2c",-12.034750983366107],["▁Cc1ccc(O)c(-c2c",-12.034820082710317],["N1CCC(CNC",-12.034845641675714],["▁COc1c(O)cc(",-12.03492068371636],["C#CC(C)(C)C)C",-12.035144031516795],["c1ccc2c(=O)c(-c3",-12.035148725173796],["c2nnc(C)c(O)n2)",-12.035238113151522],["c3c(O)cccc32)cc1",-12.035314958476478],["C2(C#N)CCN(",-12.035345464337258],["c1ccc(OCC2CCN(C",-12.03549317534128],["(C[N+](C)(C)C)O1",-12.035502553140716],["N(c2cc(F)c(N3C",-12.035618905118897],["c2nc3c(C)cc",-12.03565380337205],["c1nnc(C2CC2)n1C",-12.035706718503327],["▁CN(C)/N=N/c1cc",-12.035751987779038],["3c(c2)OCO3)",-12.035813344900744],["NC4CCCC4)ncnc32)",-12.035840835083754],["c3c(nc2c1)CCCC3",-12.035844632173523],["C(c1ccccc1Cl)=NC",-12.035911345541582],["C)=O)OC3=O)cc2F)",-12.03592475559302],["(N3C[C@@H]4C",-12.036042773763093],["nc(N4CCOCC4)c23)",-12.036321386251169],["c2cc(C#N)c(NC",-12.036338077916916],["c3nc4ncccc4",-12.036423042393189],["c2)c2c1CCCC2",-12.036439556425687],["(C1)c1ccccc13)C2",-12.03672495385839],["▁CN(C)c1nc(N)nc(",-12.03673173375755],["nn4c3",-12.036772321705891],["c(-c3sc(C)nc3C)",-12.03701639866032],["ccc24)CCCC3)cc1",-12.037036274888358],["▁CCN1C(=O)N(",-12.037091964793175],["CC/C(C)=C/C(=O)O",-12.037223045466517],["cc2c3c1C(=O)",-12.037236825609469],["N(c2ccccc2)CC1)",-12.03739950272751],["N(Cc4cccs4)C",-12.0376914811766],["H](F)CN1C(=O)CN",-12.03777339802983],["c2nnc(-c3cnccn3)",-12.037855933484986],["▁O=C1CC2(CCCC2)",-12.037930036380814],["c3-4)",-12.037972071322706],["c2[nH]c(C(=O)c3c",-12.03802024525139],["c1cn2c(n1)-c1c",-12.03806678327373],["c1ccc(N(C)C)c(",-12.03811458362711],["▁CCOC(=O)c1sc(SC",-12.038115149971942],["c(-n2cncn2)nc1",-12.038127387422062],["/N=C1/c2ccccc2-",-12.038146462936949],["N1Cc2ccccc2-",-12.03826221007006],["c4cnccn4)C3)",-12.038329510534284],["N1CCN(c2ncnc3",-12.038353626590832],["(C(=O)CCl)",-12.038529960183707],["c(NO)c",-12.038759412556049],["▁COc1ccc(C)c(",-12.038806932383151],["▁Oc1cc(O)c2c(c1)",-12.038811387774167],["▁O=C(Cc1ccsc1)",-12.038875424822235],["c2cccc(C(=N)N)c2",-12.038987840023676],["c3nc(N4CCCCC4)",-12.039015327988071],[")=NCCN2",-12.039184450836265],["c1cccc2c1-c1cccc",-12.039216874140504],["c3ccccc3)cc1)C2",-12.039311536417728],["c4[nH]ccc4",-12.039360118405275],["[C@H]1n1cnc2c(N",-12.039416027062256],["c1nc3ccccc3s1)",-12.039568801295632],["▁CCCC[N+](C",-12.03978840250216],["-c2cccc(O)c2)cc1",-12.039844365407903],["-c2c(C)noc2C)cc1",-12.039959690255111],["C2S(=O)(=O)C1",-12.0399907631118],["-c2cc(=O)c3c(N)c",-12.040105677654005],["n[nH]c2O)cc1",-12.040119608102],["c(O)ccc3c2=O)cc1",-12.040137961840662],["c1cccc(-n2nnc",-12.040185060604756],["cc1-c1cc(-c2ccc",-12.04022936781301],[")=C1\\C(=O)C",-12.040278929868556],["c(-c3ccccc3)on2)",-12.04032152581185],["CN1C2=NCCN2",-12.040569895380708],["c3c(C)n[nH]c3",-12.040623868837592],["▁NC(=S)NN=C",-12.04085970690354],["▁Clc1nc(Cl)",-12.04088026153635],["c(-c4ccc(C)o4)",-12.040923436381336],[".O=S(=O)(O)",-12.041019825737076],["c2ccc(CO)cc2",-12.041103414930308],["nc2c1c(C)nn2C",-12.041140806188404],["CCc2ccccc2)cc1OC",-12.041224675210923],["/C=C1\\N=C(",-12.041255550015782],["[n+]1cn",-12.041559453832722],["cc(-c3ccccc3)nc2",-12.041588766742995],["/N=C1\\SCC(=O)N1C",-12.041692226642446],["c2sc(N)nc2-",-12.041697466514742],["c1ccc(Nc2ccnc3cc",-12.041701118462523],["CCCCCCCC[n+]2ccc",-12.04191524784796],["c2c(O)cc(O)cc2O)",-12.042115641205571],["(C(C)(C)C)cc1N",-12.04221820994442],["cn2)ccc1",-12.04229858311452],["-c1nc3ccccc3",-12.04241067440486],["▁CCCN1CC[C@H]2",-12.042572170075749],["c1ccc(Br)cc1)N1C",-12.042852301854246],["CN(c1ccc(OC)cc1)",-12.04302619141212],["sc(N=C(N)N)n2)",-12.043113993990058],["Nc2nc(Cl)nc(N",-12.043279382550338],["Oc1cccc2ccc(-c3",-12.043590378450205],["C2CCC3(CC2)O",-12.043618600730536],["▁CNC(=S)N1CC",-12.043633856338316],["c(-c2nn[nH]n2)c",-12.043663261184712],["C3(C#N)CCCC",-12.043708680178153],["(N2CCC(N)C2)",-12.04371029983442],["c2ccc3[nH]cc(C",-12.043881641407989],["▁COc1cc(-c2nnc(",-12.043918515845895],["ccc[nH]1)C(=O)N2",-12.044157487964544],["c3c2CC(C)(C)CC3",-12.044192112696328],["c(NCc2ccccc2)nc1",-12.044313192703571],["O)c2ccc(C)nc2O",-12.04434465967521],["N2CCN(c3ncnc4c3",-12.044383434593763],["▁Brc1cccc(Nc2nc",-12.04444898929879],["▁CCN1C(=S)",-12.044498154234862],["▁Cc1cc(C)[n+]",-12.044581486991046],["cc32)c(=O)[nH]1",-12.044582169774902],["(-c3cn[nH]c3)cc2",-12.0446981093207],["(OCC(N)=O)c",-12.044908659491904],["c(-n2c(=O)[nH]",-12.044932350196632],["(-c2ccc(OC)cc2)c",-12.04505629040964],["n1ccc(=O)n(C",-12.045090116432265],["CCC314",-12.045110342170952],["c3snnc3",-12.045205663194068],["r",-12.045354687807828],["c(C2=C(c3cc(OC)c",-12.04546505922107],["NC(=O)CCn1cc",-12.0454723069905],["Cc3cc4c(cc3C1C",-12.045616730554794],["@H](O)[C@H]3O)",-12.045626815758222],["=CC3=O",-12.04575779955869],["▁NC(=S)N/N=C(/",-12.04581845465427],["3(C)CCC2C2(C)CCC",-12.045829624580533],["[N+]2CCCC2)C=CN1",-12.045829626380335],["4cccc5ccc2c3c45)",-12.045829669990288],["▁O=C1C2CC=CCC2",-12.045831817182874],["CNC2CCc3ncnn3C2)",-12.045831945394903],["c3cn4ccsc4n3)",-12.045832710606602],["[N+](CCCl)(CC",-12.045833089033811],["n1cc(-c2ocnc2",-12.045848919386144],["nc(=O)c2cccnc2s1",-12.045863727630072],["OC(Cn4cccn4)C3)",-12.045869401427202],["cn2c(C)c(C)nc12",-12.045883012315402],["N1CCOCC2(CCCN(",-12.045892888076096],["2=C3CCCCN3CCC2)c",-12.045915149468318],["-c1nc2c(c(C)nn2C",-12.0459427835067],["3c(ccc4ccccc43)o",-12.045949781029458],["C#Cc2cnc",-12.045969266155751],["nc3cnccn23)cc1",-12.04603594893103],["c2nnn(CC3CC3)c2",-12.04607578860877],["▁Cc1sc2c(c1C)",-12.046101602115204],["4)OCCO5)",-12.04613265156431],["c2ncn(CC3CC3)c2",-12.04616257163152],["c3[nH]nc(N)c23)",-12.04617044942111],["c1cc(OC)c(CC(C)N",-12.046187442164069],["N2C(=O)C(Cl)C2",-12.046284033181536],[")c1c(N)n(CCC",-12.04630403874042],["▁Cn1cnnc1C1CCCN(",-12.04633408334593],["cc(C2CCCN2)n1",-12.046407462127911],["c1nc(C)cc(O)n1",-12.046414386651922],["▁Nc1c(CC(=O)O)cc",-12.046446968489102],["c3ccc(OC)c(F)c3)",-12.046510306100297],["COC2)c2c(N3CCc4",-12.04651592971966],["c3cnc(OC)nc3",-12.046529567280476],["CO[C@@H]2COc3nc",-12.046582588463998],["c4)n[nH]c3c2)c",-12.0466530355082],["cc2c2c1ncn2C",-12.046695887196227],["/C=C1/C(=O)N(C",-12.04669711791228],["▁CNCCc1c",-12.046754388540933],["▁Cc1ccc(C)n1N",-12.046782940072452],["c[nH]c(C(O)",-12.046836370094391],["(OCc4ccccc4)cc3)",-12.046849745278433],["O)c(/C=N/NC(=O)",-12.046866738343631],["N=C(N)N=C(N)N",-12.04693106643839],["c3cc(O)ccc31)C",-12.046933658481676],[")=C(/N",-12.04694029143723],["▁CSC1=NCCN1C(=O)",-12.046947077342674],["c(=O)n(CCC#N)c2",-12.04703863785731],["Cn1nc2cc(C(=O)NC",-12.047158759471843],["c(CC(=O)NN)",-12.047190244112896],["▁Cc1ccccc1Cn1cc(",-12.04726902386422],[")n1ccccc1=O",-12.04733607797615],["c4c(F)c",-12.04741026029983],["-c1cnc(N)c(",-12.04745254406999],["c1cccc(SC)c1",-12.047525937806636],["(-c3ccccc3F)cc2",-12.047535194421783],["c1ncsc1",-12.047553700470951],["c2c[nH]c3ccc(-c4",-12.04755742568386],["c(C(=O)O)cc4)",-12.047641681972516],["[S@@+]",-12.047642424799646],["3)[C@@H]2C(=O)N1",-12.047690551748996],["c1cc(C(C)=O)ccc1",-12.047747650007688],["▁COC(=O)C1=CN(",-12.047824956358692],["3ccccc3n3nnnc23)",-12.04785160508684],["=C[C@@H]1[C@@H]2",-12.04785642699258],["cccc3c[n+](C)c12",-12.047906548280675],["(N3C[C@H](CNC(",-12.047936506173135],["CC3)c2cn1)",-12.048029077443305],["c(C3CCOCC3)n",-12.048033914035562],[")C(SC(C)(C)C)n1c",-12.048163301288316],["▁NC(=O)c1sc2n",-12.048169869253876],["(-c2ccccc2)nc(SC",-12.04819802705935],["▁OC(Cn1cncn1)",-12.048253695209256],["c2ccc(OCC(N)=O)c",-12.04828965171112],["N(C4CCCC4)CC3)",-12.048346569722264],["N1CC2(CC1=O)CN(C",-12.048512241952494],["N1CCN(Cc2c[nH]",-12.048540906394676],["▁CN(C)C(=O)Cn1c",-12.048573662844593],["1CCC(O)CC1)",-12.048611217547675],["C2c2cccc[n+]2",-12.048658630822509],["Nc1nccc2c1nnn2C",-12.048665515659415],["=C3c4ccccc4",-12.048729053811694],["C5CC5)n4)",-12.048813247511069],["CC[N+](CC)(CC)CC",-12.048901148407104],["/N=[N+](\\[O-])",-12.048909736448977],["c3c(O)c(O)ccc3",-12.048986012650154],["c3cc4c(cc3[nH]2)",-12.04899451578694],["▁O=c1c2cc(O)ccc2",-12.048994865867945],["Oc1cccc2oc",-12.04901042217146],[")SC(C)C",-12.049146073528432],["▁CNC(=O)c1cc2c(n",-12.049241361432497],["▁Cc1cc2c(cc1Cl)S",-12.04925029098065],["n3c(C)cc(C)nc23)",-12.049429870082069],["CC/C=C\\CC",-12.049561478571132],["▁Cc1nc(CN2CCCC(",-12.049566830925553],["c2cc(C(=O)c3cc",-12.049615149094317],["c2c(cc3c(c2O)",-12.049628045597476],["Nc1ncc(Br)s1",-12.049631291548865],["(C(C)C)n[nH]3)",-12.049795683654413],["CCCCc1ccccc1)c1n",-12.049822283756193],["c1cc(=O)oc2c",-12.049883035550122],["C3(O)CCCCC3)",-12.04998820651201],["▁CCN(CC)Cc1cc(",-12.049994229061635],["▁C[C@@H](Nc1c(N",-12.050001126528263],["c3nc4ccccc4cc3",-12.050056674603074],["C/C=C1\\CC(CO)(C",-12.0500730561638],["O/C(=C\\c2c",-12.05012494924912],["nc2c3ccccc3nc1-2",-12.050125246599434],["Oc1cccn2c(",-12.05017947676902],["▁Cc1cc(C)n(CC(C)",-12.050194346881693],["C1OCCc2ccccc21",-12.050200284644095],["c2c(=O)[nH]cnc12",-12.05020949303185],["COc1cnc(Cl)c(",-12.05028859597185],["=c1sc2ccccc2n1C",-12.05039322159886],["N1CC[C@H](O)C1",-12.050480391021292],["▁Clc1ccc(CSc2nn",-12.050526384674358],["c(-c2cncnc2)c1",-12.050586874264845],["COc1ccccc1)=N\\N",-12.050693638831358],["Cc2ccc(CO)cc2)C1",-12.050700566729692],["[n+]3ccccc3",-12.05079902703242],["nc(SC)nc2",-12.050943533503997],["c3ccc(Cl)nn3)",-12.051037148204074],["c1c(C)cc(C)nc1",-12.051094962556071],["▁COCCSc1nnc(N",-12.05117659131922],["c2c(c1)nc1n2CCO",-12.051223946057268],["[nH]1)N1CCC(C",-12.051225782196257],["c(C(=O)N2CC3CNCC",-12.051442207752586],["(-c4ccccc4)cn3",-12.051459087878246],["N2CCOCC2",-12.051548230971624],["(C)(C)NC(C)(C)C",-12.051649090042623],["C[C@@H]1[C@@H]3C",-12.051682631084647],[")[C@H](CN1CCCC1)",-12.05170550503878],["nc2c3ccccc3ccn12",-12.051948015738512],["N([C@H]2CC[C@H](",-12.05194969970412],["SC(=O)NC3=O)",-12.05195630647928],["5)ncnc32)",-12.052178118250945],["n3cnnc23)",-12.052203636903156],["c3oc4ccccc4c23)",-12.05220628960342],["▁CC(C)c1nc(CN(C)",-12.052229565945606],["c3ccc(CO)cc3",-12.052476765795936],["c2cc3c(cc2C1=O)",-12.05263024139018],["▁O=C1C=CC[C@H](",-12.052646104786753],[")C(=O)NC3",-12.052693232556344],["(N3CCCC3)cc2)",-12.052702595197374],["▁CCN1C(=O)N(CC",-12.052704264312588],["C(c3ccccc3)C2C1",-12.052719383207858],["csc1NC(=O)C",-12.052758611456092],["c1nc(N(C)C)ncc1",-12.052791500008665],["c2nc3c(Cl)cccc3",-12.052808044997592],[")C1COc2ncccc21",-12.05285689244518],["▁CC(C)(C)N1CC(",-12.052865357314255],["c(-n2cccn2)c1",-12.052880874803735],["[C@H]34)[C@H]2C",-12.05294123718778],["(C(=O)CC)",-12.05313950988143],["c(/N=N/c2c(O)cc",-12.053209061988705],["c1c(C)cc(C)cc1",-12.053219427320451],["c(-c2nc(N)c3cc(C",-12.053281584425935],["c1cc2c(o1)",-12.053411606581726],["[C@@H](C2)C1(C)C",-12.053445558774545],["c4ccc(OC)cc34)",-12.053630716088284],["/C=C2/NC(=O)N(",-12.053776219779827],["nn2c(C)c1C",-12.053928603836637],["c(Cl)cc2F)",-12.053953619019213],["CCC(N2C(=O)",-12.05408609021339],["[C@@H](C=CC4=C",-12.05424380031255],["Cc1ccc2c(n1)N",-12.05425349972248],["c3c2)ccn1",-12.054257337204785],["(Cl)cc3)o2)cc1",-12.054270532346704],["c3)cn2n1",-12.054277237441545],["O)/C=C/C(=O)O.",-12.05450462468742],["[C@H]1CO[C@@H](",-12.054551879905588],["c1c2c(n(C)c1C",-12.054558391084814],[")C1CCCN1C(=O)N",-12.054615686488004],["c3cc(N)ccc23)cc1",-12.054663397140626],["4c5ccccc5",-12.054755015693267],["CN1C2CCCC1CC(",-12.05492456908426],["c(-c4cnco4)",-12.05515416990725],["Sc1nncn1C",-12.05523899117933],["c1ccc(O)c(CO)c1",-12.055258405334373],["▁c1csc(CN2CC",-12.055335412878009],["N=C(c1ccccn1)",-12.05537181521258],["CCc1ccccn1)N",-12.055441139746543],["▁CN1CCOC(CNC",-12.05549445859249],["[C@@H](C2)N(C)CC",-12.055595626059604],["C3CCC(C3)",-12.055608304211445],["C1CCC2C3C",-12.055658187667696],["(F)cc(F)c3s2)",-12.055673473924434],["c3cc(F)c(Cl)cc3",-12.0556783352411],["CCCCCCCCCCO)",-12.05570710004011],["c2cccc(CN)c2)",-12.055747909548144],["2c(cc1=O)CN(Cc1n",-12.055826992652248],["Cc3cc4c(cc3C2",-12.055908484449049],["c2c(N)cc",-12.055946144526668],["c(-c2ccccn2)s1",-12.055967318581686],["CNC(=O)c2cc3ccc(",-12.055998299033758],["ccc(C#N)c2",-12.056085538229407],["c1sc(N)c(C(=O)",-12.056101274762796],["c3c1OCO3)",-12.05618261866527],["c2cc(Cl)cc3c2",-12.056211303258811],["nc3c(N4CCOCC4)nc",-12.0562181591834],["▁COCc1cc(C)nc(SC",-12.056273664869328],["▁OCCOCC",-12.056285441514548],["c(S(N)(=O)=O)cc3",-12.056287762332923],["▁CC1(C)N=C(NC",-12.056477335837382],["c(N)c2c(C)c1",-12.056600489612302],["▁CC(C)=CCn1c",-12.056620341406964],["C(F)(F)C(F)F",-12.056731533541011],["/N=C/C1=C(O)",-12.0568244835277],["(c3ccccc3)C2)cc1",-12.056848276086514],["cc4CC[C@H]3[C@",-12.056877672072083],["1CC(F)(F)C1",-12.056904584452475],["c2c(O)c(C(=O)O)c",-12.056967152925024],["CCNc1nc2c(c(=O)",-12.056980635464493],["nc2ccccn2c(=O)c1",-12.056988755908469],["N1C(=O)CC[C@@H]1",-12.057066143289235],["▁Nc1c2c(nc3ccc",-12.05727118529652],["CN(c2ncc(F)cn2)",-12.057394704404992],["1CC=CC1)",-12.057433976985454],["COc1cc2c(cc1OCC)",-12.057506104754768],["(CO)C3)c2n1",-12.05755392469561],["CN(Cc3ccccc3)C2)",-12.057603944149166],[")c(C#N)c(-c2ccc",-12.057748882331929],["n1c(=O)sc2cc(",-12.057770945279543],["▁Cc1ccsc1-c1cc",-12.057781547863938],["[C@@H]1CCC(C)=C",-12.057925827065713],["c(F)c(F)c2)cs1",-12.05804954493154],["c1cc(C(N)=O)ccc1",-12.058056282592402],["N(CCCN)CCC",-12.05807120255266],["N(c1ccccc1)C2=O",-12.058083234804624],["▁Clc1ccc2c(NCCCN",-12.058098715783226],["C(c3ccc(C)cc3)=N",-12.058106861193831],["c(C4=NCCN4)cc3)",-12.058186783669091],["(O)cc(O)c2c(=O)",-12.058188868220414],["c4c23)cc1",-12.058220280360397],["c3ncnc4sccc34)",-12.058262103583395],["c3ccccc3c2n1C",-12.058284107787529],["C(=O)c2c(C)oc3nc",-12.05832920056838],["(O)[C@@H]3O)c2n1",-12.058337614760392],["C3=CC(=O)OC3",-12.05842578054317],["O)c(=O)cc1",-12.058431754066016],["sc(N2CCOCC2)n1",-12.058567062887432],["c3ccc(CO)o3)",-12.058735083896114],["c(N2CCOCC2)cc1=O",-12.058817424172364],["c2cc3c(=O)n(",-12.058835909720784],["2c(CC)n",-12.058840389632426],["-c2nonc2N)nc2cnc",-12.058849510063643],["@H]34",-12.058851155710803],["c(NCc2cnc",-12.058963340165922],["CNCC1COc1cccnc1",-12.058970516954682],["▁Cc1cc(C)n2c(SC",-12.058991871590814],["c4ncnc5",-12.059019588456335],["c(OCC3CCNCC3)c",-12.059091651885248],[")c(Cl)c1/C=N/N",-12.059108099357474],["c1nc2cc(C)ccc2",-12.059115297025908],["/C(C)=N/O)c",-12.059306033914822],["CSc1nc(C)c(C",-12.059414151765534],["[C@@H](CN12)[C@",-12.059673568923593],["(OCC=C(C)C)c",-12.05972474256],["4CCNCC4)c3)",-12.059812535854164],["c(Oc3ccccc3)c",-12.059823097686545],["COc1ccc(Br)cc1)N",-12.059868067955277],["CC(Nc1ncnc2",-12.060117317156289],["nc(N3CCNCC3)n2)",-12.060121575303038],["O[C@H]2[C@@H]1OC",-12.06015409282388],["=C1SCC",-12.060175781889452],["(C=CC(=O)C=C",-12.060189240067569],["▁Cc1cc(Oc2ncccc2",-12.060316038398776],["c4[nH]ncc4c3)n",-12.060424179320655],["N1CCc2c(ncn2",-12.060451190126766],["c1ncncc1-c1ccc",-12.060479120182672],["c3cccc(CN)c3)",-12.060503596260224],["nc3sc(-c4ccccc4)",-12.060516101951016],["▁CC1(C)Cc2c(sc3n",-12.060519902561715],["▁N#CC(C#N)=",-12.060639933052796],["/C(=N/c2ccccc2)N",-12.06064799471125],["c(O)ccc2c(=O)c1",-12.060664216892556],["[nH]c2ncnc(-c3cc",-12.060741064926468],["c1cnc2c(c1)CCCC2",-12.06079934809904],["ccc2-c2cncn21)",-12.060875273190057],["[C@H]1CCC[C@@H](",-12.060928620250673],["[C@H]1NCC[C@@H]1",-12.06101515795982],["c2cc3c(c(OC)c2",-12.061018330920955],["nn3c(=O)c2",-12.061046071248622],["▁Cc1cc(N(C)C)c",-12.061174329439291],["nn(-c2ccccc2)c1-",-12.06146344421289],["4CCOCC4)n3)",-12.061520927619926],["(-c3ccccc3Cl)o2)",-12.061612138033963],["(C(=O)OCC)c23)c",-12.061653105354974],["▁N#C/C(=N\\Nc1cc",-12.061768964383669],["c(-c2ccccc2O)n",-12.06180480301622],["c(C(F)(F)F)c2Cl)",-12.061940738724491],["C1CC=CC1",-12.061949953355276],["c2cccnc2n1-c1ccc",-12.062045747064904],["CSc1nnc(COc2ccc",-12.062085983388943],["C)c(C)nn12",-12.062148323676212],["O/N=C(\\Cn1ccnc1)",-12.062185122724454],["O)(O)O",-12.062193770708308],["nc2cc(Cl)ccc2o1",-12.062517122205133],["▁CCOCc1nnc(N",-12.062558827541745],["n4)c3)",-12.062699210195108],["c2ccc3[nH]c(-c4",-12.062760254241477],["nc(N)c1-c1nc2cc",-12.062817079500237],["c(Nc2n[nH]c3ccc",-12.06286637718503],["c1ccc(CNc2nc",-12.062905668164166],["c2nc(C)n(C",-12.062987928389326],["(Oc2cnc(C(=O)N",-12.06324041585682],["C2(CCC(C)CC2)",-12.063246005583022],["/C(C)=C/C=C/",-12.06327538161044],["▁Clc1ccc(Nc2nnc(",-12.063320064084504],["c32)[nH]1",-12.063436388970134],["Cc1nc2cc(/C=C/",-12.063454206940264],["c3c(Nc4cc",-12.06346337423316],[")c1ccc(C2CN(c3cc",-12.063548528950694],["Cc1nnc2n1CCC2)",-12.063553997361453],["4)c3CC2)",-12.063606540532115],["(-n2ccnc2)cc1)",-12.063610659268312],["c1nnc(CN2CC",-12.063631284082648],["OC(=O)CCC(=O)O)",-12.063762478809403],["c(OC(C)C(=O)O)",-12.064058277597605],["(-n3cccc3)cc2)",-12.064064206152526],["c3cccc(Br)c3",-12.064170608865991],["3oc4ccccc4c3c2)",-12.064214945241591],["c3oc(C)c",-12.064226856117845],["#N)cc2C(N)=O)cc1",-12.064372703033662],["N5CCCCC5)cc4",-12.064452792972869],["N(Cc1cnn(C)c1)C",-12.064643599709669],["C(NC(N)=O)C(=O)N",-12.064729300961789],["c(C)c3c(C)nn",-12.06474929285034],["@H](C2)N(C)CC3",-12.064779621366732],["c(O)cc3O)",-12.064781418081454],["▁O=S1(=O)CC(N2CC",-12.06480131464349],["nc(Nc2ccc(Cl)c(O",-12.06481664283143],["c2ccc3c(c2o1)",-12.064928781996905],["c(NCCN(C)C)n",-12.064998253276524],["c2cc(C(=O)Nc3ccc",-12.06505222918796],["C(n2ccc(=O)",-12.065078360762737],["cc2)[C@@H](CO)N1",-12.065085893354944],["/C=C1\\CN2CC",-12.06512005264597],["nc(C)c4",-12.065185176267777],["c1ncc(C2CCC2)",-12.065334977408156],["c2cc(COc3ccccc3)",-12.065361102981996],["c5ccccc5)nc34)",-12.065583070952702],["(c1ccc(O)c(O)c1)",-12.065668484530285],["c(C)c2)no1",-12.065690598633251],["▁C[C@](O)(CO",-12.065826689819572],["(Nc3ccccc3)nc(N",-12.066049498077458],["CCCN1c2ccccc2CC",-12.066123299555752],["n(C)c4c3",-12.066265553891116],["CC(F)(F)F)N1CCC(",-12.06636895203265],["cc(-c2cn(-c3ccc",-12.06640671905222],["▁COc1cc(C)cc(",-12.066427652494454],["ccc1Nc1c2ccccc2",-12.066623694233115],["Nc2nc(C(N)",-12.066702357056856],["▁CC(C)CCc1cc(",-12.066735804900876],["2c1COCC2",-12.066780765905566],["[C@H]3CNCCO3)",-12.066881656050846],["c3c(N)ncnc3n2",-12.066940620802068],["4c(c3)COC4=O)s2)",-12.067095565024712],["o2)nc2sc(CN3CC",-12.067239660610475],["▁C[C@]1(c2cc(N",-12.06726206350391],["c3nc[nH]c3n2)cc1",-12.067414094970443],["c(C)c3)c3n2C",-12.06752468581631],["c(S(C)(=O)=O)c2)",-12.067638811793609],["ccc(O)c(C(C)C)c1",-12.0677196131144],["=[N+]2",-12.067780371744153],["▁COc1cc(NCCCCC",-12.06807063291654],["cc4C3)",-12.06824025981258],["c4ccncc4)ncnc32)",-12.06824710872],["c(C(C)C)nc3",-12.06832341603728],["▁CC1CCCN(CCC",-12.06832396356346],["c(N(CCCl)CCCl)c",-12.068634992109477],["▁CC1=CC[C@@]2(C",-12.068655095193414],["c2nnc(C3CCCCC3)",-12.068662467900376],["c1nc(Cl)c(NC",-12.068671615415052],[")NC(=O)[C@H]",-12.068789074164204],["c3O)nc2c1",-12.068794150523898],["▁c1ccc(-c2csc(N",-12.068965662265091],["cc(-c2nccc(NC",-12.0690619176369],["▁O=C1C=CCCN1",-12.0691029368664],["c2ccc(OCCO)cc2",-12.069222291199404],["▁C=C(C)C(=O)Nc1c",-12.069260020524094],["c3cc(N4CCOCC4)",-12.069272634218809],["▁Cn1ccnc1Sc1c",-12.06928365361104],["c1c(O)cc(/C=C/",-12.06933297672632],["c(C)c3cc2c1C",-12.069356459967365],["C2CC3CC1CC(C2)C3",-12.069415812548437],["Cc2noc(-c3cc",-12.069532574280604],["3c(n2)CCC3)",-12.069563055471374],["3c1[C@@H](C2)N(C",-12.069794653508904],["CN(Cc1ccoc1)C2",-12.06983142684452],["cn2)c(C)c1C",-12.069874331618346],["(=O)c3cc(Cl)c",-12.069940466754916],["c(CN2CCC(N(C)C",-12.070010217683462],["c1cnc2sccn2c1=O",-12.070097580317906],["cc(C3CC3)nc2",-12.070300299712612],["13)O2",-12.070434320908],["c1nccnc1C1CN(",-12.070479343375911],["▁Cc1ccsc1-c1n",-12.070542165597756],["3nc(-c4ccco4)nn3",-12.070709852833016],["c(NCCCn3ccnc3)",-12.070880375075596],[".O=S(=O)(",-12.071141893274644],["c3nnc(-c4ccncc4)",-12.071204493947764],["CN1CC(C(=O)NCC",-12.071288467679398],["▁O=C(O)COc1cccc(",-12.07139643626603],[")c(C)n2C(=O)",-12.07152068204384],["[C@H]2S(=O)(=O)C",-12.071526415134423],["c2nc(Cl)c(Cl)",-12.072121694356026],["c1cccc(-c2cncc(N",-12.072122319032498],["ccc3Cl)nc2c1",-12.072141667478563],["N1C(=O)CCSC1",-12.072224062976616],["▁CCCC(C(=O)O)c1c",-12.07222555422537],["▁CN1C(=O)/C(=N\\",-12.07244566717016],["c2cc3ccccc3oc2=",-12.072554060009445],["c2nc(-c3ccc(OC",-12.07261890116877],["n1cc(F)c(=O)n(C",-12.072632609274288],["c3ccc(C(=O)NO)",-12.072676245514453],["C(=O)c2c(O)cc(OC",-12.0727258878857],["▁CC1CCc2c(sc(N",-12.07275800637608],["[C@@H](N)[C@H](O",-12.072800956550264],["C[n+]1cccc(/C=N/",-12.072879660790562],["-c2nc3cc(C)ccc3",-12.072892004391962],["n4nc(SC)sc4n3)",-12.073055259210342],["▁COc1cc2nc(N(C)C",-12.0732261341009],["c(-c3cn4c(n3)",-12.073283500659151],["N2CCC[C@@H]2C",-12.073493214991196],["(O)nc(S)n",-12.073613447122632],["c1cc2c(=O)n(CC",-12.073616128886645],["▁CCOC(=O)CCCn1c",-12.073643358691108],["c3c(c(C)nn3C)",-12.073752648241964],["C2=NN(C(N)=S)C(",-12.073798895003224],["c2ncccc2Cl)",-12.073820749284804],["c1c(O)c(OC)c",-12.073982133899449],["▁CC(=O)N1CCCC1(C",-12.07398412739745],["1CCCCC1)Nc1ncc(C",-12.074007418039386],["CC2(C)C1C",-12.074128474761403],["n3cncn3)CC2)",-12.074140044534111],["cc(-n2nnnc2",-12.07419096268581],["(N[C@@H](c2n",-12.074202784319052],["c1cc2n(n1)CCN",-12.074300048149858],["c3c(C(N)=O)cccc3",-12.0743871506992],["▁CCCSc1nnc(",-12.074459203173642],["cs/c1=N\\C(=O)",-12.074492284587516],["-c2cc3ncccc3c(NC",-12.074672898845968],["c2cc(O)nc(N)n2)c",-12.07476878122487],["[C@H](C)C(=O)NO)",-12.074879993705444],["[nH]c(C)c(C",-12.074979675073878],["1(C)OC2=C(C(=O)C",-12.075185567584692],["C[C@]2(c2ccc",-12.075191126890315],["CN1C(=O)C(O)(C",-12.075220075773776],["c1ccc(/C=c2\\sc3n",-12.07522420619652],["c1ccn2ncc(-c3cc",-12.07525341924513],["c3c(c2)CCCC3)",-12.075267467382185],["(=O)c3ccccc32)C1",-12.075326129227316],["c4cc(F)ccc34)",-12.07541753418629],["3ccc(C)cc3c2s1",-12.075419869926314],["▁Cc1ccn(-c2ccc(",-12.075437003488345],["c1ccc(N2C(N)=NC",-12.075550440963015],["c3ccc(C#N)cc23)",-12.075652491271912],[")ccc3CC1[C@@H]2C",-12.075698588240217],["c1ccc2[nH]c(-c3n",-12.075917045560985],["▁Cc1cc(C)n2c(N",-12.076027088627786],["Cc1ccoc1)C",-12.07611199309699],["N(CCCN1CCOCC1)C",-12.076263275627348],["▁O=C(CCN1CCC(",-12.076352628685775],["c1nnc(S)n1/N=C/",-12.076366071006888],["COc2cc(NC",-12.076639683684697],["c3oc4c",-12.07670375366906],["▁C/C=C1/CN2CC",-12.076737101355002],["nc(C4CC4)o3)cc",-12.076785768241663],["▁C#C[C@]1(CO)O",-12.076920535952402],["C1=C(O)CCn2c1nc1",-12.076987453576],["o1)N1CC2CNCC",-12.077078627911256],["O)cc1I",-12.077157302154818],["▁C#CCSc1nc(N",-12.077241106104074],["c1cc3ccccc3o1)",-12.077333400809197],["COC(=O)C1=COCCO1",-12.077375135727168],["▁CNCCC(Oc1ccc",-12.077441710713936],["N4CCC[C@@H]4",-12.077477462656253],["(c2ccccc2)N=C1N",-12.077492150719712],["CN1CCOCC12CCN(",-12.077548425190894],["O[C@@H](n2cnc3c",-12.077593055901406],["c4cccnc4)CC3)",-12.077651146534077],["c2nc(C(C)C)n",-12.077688400670972],["=C(c2c[nH]c3ccc(",-12.077719007520214],["c(NC3=NC[C@",-12.07781874001525],["c4cccc(C(=O)O)c4",-12.078041289913076],["c1cc(=O)n2c(",-12.078132375449115],["(c3ccccc3O1)",-12.078132778817396],["ccc(OC)c3OC)",-12.078589510285322],["SC(N)=N3)c2)",-12.078659781842855],["c3noc4ccccc34)",-12.078737457883497],["c3c(C)ccc(C)c3",-12.078746834431758],["c(OCc4ccccc4)c3)",-12.078871924228832],["(C4)C3)",-12.07887934551424],["▁Cc1nnc(N2CC",-12.078914971565451],["OC(=O)c1sc(=S)n(",-12.078946019235962],["3[nH]cc(-c4cncc(",-12.079000579736215],["(c(C)c1N)CC(C)(C",-12.079088828872669],["CC[C@H](C[C@@H]1",-12.079098431446944],["C(=S)[S-].[Na+]",-12.079393840305867],["4cccc(C)c4",-12.079457385465316],["C(Cn1cncn1)N",-12.07950796740215],["CC/C=C\\CCCCCCCCC",-12.079515733456486],["c(O)c3ncccc23)",-12.079575964409749],["C1(C)CCCN1C(=O)",-12.079722710861986],["C2CC2)[C@H]1O5",-12.079726656114488],["c4c(C)n",-12.079741589122808],["c1cc2[nH]c(=O)",-12.079757420201483],["N3C(=N",-12.080044820811407],["c3n2CCS3)cc1",-12.080115477868333],["nc32)C[C@@H]1O",-12.080275049345984],["Oc2cc(O)c3c(=O)",-12.080503100242792],["nc(-n2cncn2)",-12.08061967674573],["C[C@@]43C)",-12.0806353652326],["N3C2)cc1",-12.080807862591662],["nc3c2ncn3C(C)C)c",-12.080980430260254],["▁Cl.O=S(=O)(",-12.081002772575005],["▁O=C(Nc1n[nH]c2c",-12.081013488719767],["▁Nc1nc2[nH]c(",-12.081014620445677],["N(c2ccccc2)C(=S)",-12.08111591420814],["N2CCN=C2S",-12.08122678304551],["nc(N2CCCC(C(=O)N",-12.081261982307064],["=C(N)O",-12.081266504399933],["c(C(=O)N(CC)CC)",-12.081356412901163],["[N+]12CCC(CC1)C(",-12.08140719938463],["cc(F)cc3)c2cn1",-12.081473679826036],["c1ccc(OCCN(C)C)c",-12.081604618708676],["c2c(Cl)c(Cl)ccc2",-12.081854958171547],["Sc2nc(N)cc(O)n2)",-12.081994302531022],["CCCCCc1ccccc1)c1",-12.08200615019928],["ccn2)c2c1C",-12.082046053006463],["N1C(=O)CC(S",-12.08210530531528],["c2nc3c(F)cccc3",-12.082150016520275],["c1cccc(-c2cccc(C",-12.082157523693947],["C(C(C)C)=C",-12.082198613288927],["▁Cc1cccc(-c2nnc(",-12.08233340325266],["c(C)c3c(C)nnc(",-12.082351482296732],["c4c(C)noc4C)",-12.082392463560526],["c(OCC[18F])cc",-12.082524367020604],["(Cn1ccnc1)",-12.08258077299953],["(-c3c[nH]nn3)c",-12.082603118422812],["▁CC1(C)Oc2cc3oc(",-12.082604350384596],["=NCC(=O)N3CCc4c(",-12.082808931427712],["Sc1nc2nncc-2c(O)",-12.082866671393331],["2C[C@](O)(C4)C3)",-12.082866672670333],["C)CCC4=C(COC4=O)",-12.082866795195589],["nc4[nH]cc2c34)c",-12.082866871191888],["(=NC1=O)c1cccc3c",-12.082866950810152],["Cc3c2cc(O)c(O)c3",-12.08286722298138],["(-c4cnc(N)nc4)nc",-12.082867827410546],["▁Nc1nonc1-n1nnc(",-12.082870192954337],["N1C(=O)C2C(C1=O)",-12.082870889650035],["=c1ccn2c(n1)O",-12.082876071098422],["Oc4c(O)ccc5c4",-12.08287856671975],["CCCOP(=O)(OCCCC)",-12.08288070823487],["/C(=C(O)/C=C/",-12.082881194166266],["Cc3cc(C)cc(N)n3)",-12.08288827896347],["nc(N)nc([O-])c21",-12.08289233289911],["cc(-c4cncnc4)c3)",-12.082916838739084],["1CC2CC1",-12.082921106766507],["=C2Sc3ccccc3N2C1",-12.0829220184909],["[nH]cnc2nncc1-2",-12.082930088269489],["C/C1=C/C=C1\\CCC",-12.082941408920068],["cc(OC3CCNCC3)c12",-12.082980082355345],["c(=O)n2ccccc2n1",-12.08298688447217],["(Cl)ccc1-n1cncn1",-12.08300042513198],["c3n[nH]c(N)n3)",-12.08306084833552],["c(-c4ccnc(N)n4)c",-12.08307276057904],["▁O=C(CCC1=CCN(C",-12.083083230323314],["OC)C=CC(C)(C)O3)",-12.08308740417488],["(C)oc2nc(C)nc(N",-12.083087720353673],["CCC4(C)C3CCC12C",-12.083105322139254],["c3nc4c(s3)CCC",-12.08312027819916],["C2C(C)(C)C2(C)C)",-12.083156986058574],["▁[O-][n+]1onc(",-12.083184624335772],["▁CCC(C)Oc1cc",-12.083208282885966],["=NN(C(C)=O)C(C)(",-12.083219920694976],["[S+]([O-])(=N",-12.083277656489152],["▁C=CCNc1nc(N)c(",-12.083301306183191],["n2c(NCc3cccnc3)c",-12.083330009944223],["c1noc2c1CCCCC2",-12.083405633999694],["=CCSC1=CC(=O)C(N",-12.083433977233309],["(-c2ccccc2)nc(N",-12.08345112740898],["cc2c3ccccc3nc1-2",-12.083453072523213],["CN2CCCC(Nc3ccc4",-12.08346290807845],["CC2C(CCC3(C)C(",-12.083487334017738],["CCN(CC2)[C@@H]1C",-12.083526552438077],["▁N/C(=N\\O)N/N=C/",-12.083615551951182],["▁CC(=O)NCCNc1nc",-12.083644627938996],["C2C3C=CC(O3)C2C",-12.083696147036722],["C2CCC(F)(F)CC2)",-12.083727473310717],["c(-c2cc(C)c(OCCC",-12.083760402407195],["▁CC(C)(CO)CCCC",-12.083913247031472],["3CCC(F)(F)CC3)",-12.083941101022608],["3ccc(OC(C)=O)cc3",-12.083977943623127],["▁O=C1C=C[C@]2(",-12.084033646695],["c2cc(F)cc(C",-12.084063103973444],["c2noc(=O)n2",-12.084159634181429],["c2nc3c(s2)CCC3)",-12.084186999293186],["▁Cn1ncc(Br)c1",-12.084255071955202],["CCC(Cn2cncn2)C1",-12.084318367375044],["(OCCN2CCCCC2)",-12.08432714603178],["▁[Br-].c1ccc(",-12.084332019999527],["ncc3c2CC",-12.084387578577212],["1CCc2[nH]c3ccc(",-12.084439923740016],["c1ccc2nc3n(",-12.08448219073611],["cc4[nH]3)c2)c1",-12.084603193101396],["[nH]c2=O)OC1CO",-12.084637499627162],["2CCC(F)(F)C2)",-12.084674770512104],["/C=C/C(=O)NO)=C\\",-12.084676756392204],["c4ccc(Cl)cc4Cl)",-12.084705200197606],["▁Nc1ncnc2c1sc1nc",-12.084728330457189],["c1[nH]nnc1",-12.084784869933724],["1(C)CC(=O)C2=C(C",-12.084812845432168],["c2c(Cl)c(Cl)c",-12.0850113368306],["▁N#Cc1ccc(CSc2n",-12.085073992810528],["CC2=C1C(",-12.085144287378183],["nc(C3CC3)nc2",-12.08515071027472],["(N2CCOCC2)cc1)",-12.08519313378985],["c(Br)c3)ncnc2c",-12.085325348088809],["c(-c2cnc3nc(N4CC",-12.085384443456732],["c(CCN(C)C)c2c1",-12.085403402064811],["c1ccc(Br)c(Cl)c1",-12.085573604134035],["c3c2c(=O)oc2ccc",-12.08559513463158],["(OCC(C)C)cc",-12.085644509472443],["(ccc3ccccc32)o1",-12.085652147847124],["▁CC(C)c1n[nH]c2",-12.08576540711355],["▁Nc1nc(N)c2cc(CN",-12.08582514109364],["nc(NCCc2ccccc2)",-12.086029053031371],["▁CCCN1CCC(=O)N(",-12.086045604712089],["[C@H]1[C@@H]2CN(",-12.086069194011255],["c1ccc(F)c(C)c1",-12.08608862846996],["#CCN/N=C/Cc1ccc",-12.086111886300085],["/C=C2/C(=O)ON=C2",-12.086144648821016],["c3c2ccn3C",-12.0861714461863],["▁Nc1nc2[nH]c(SC",-12.086204101450296],["(C2CCC(=O)NC2=O)",-12.086304580173689],["(-c3ccc(OC)nc3C)",-12.086324998401246],["NC1(C(=O)O)CCCC1",-12.086513034084993],["C2COC2)",-12.0865453231044],["N(S(C)(=O)=O)CC2",-12.08658256800956],["cc54)CC3)nn2)c",-12.086661040041369],["2(CN3CCC2CC3)O1",-12.086719747578003],["[C@H]1CNC(=O)C1",-12.086762573327055],["c2c(C)n[nH]c2O)c",-12.08682866720502],["c(-c2c3c(=O)n(",-12.086860715838627],["C)c2O)c(=O)c1=O)",-12.086884491651324],["C1(CCCCC1)O2",-12.086966993607287],["CN(c2cccnn2)CC1",-12.087145595677985],["c2cnn(C(C)(C)C)c",-12.087261135118798],["=C(N)C2(C#N)",-12.087277785771269],["(-c2nnc(S)o2)cc1",-12.08730384625186],["[C@@H]3CCCO3)",-12.087356065438325],["c2cnc(Nc3ccccn3)",-12.087523413895688],["▁CC1(C)C2CCC1(C)",-12.087598822970396],["(CO)NCc1ccc2cc",-12.08787042313097],["c2cn(CC3CCOCC3)",-12.087891226640222],["▁N#CCCn1c(=O)c",-12.088052410045828],["▁CC1Oc2ccccc2N(C",-12.088088881583438],["▁COCCCn1c(SC",-12.088176832515838],["(-c4ccccc4)cc3)n",-12.088380899854435],["c(/C=N/n2nnnc2N)",-12.088436493959676],["(C(=O)O)=C[C@H]1",-12.08843990745633],["c(Cl)c2)ncn1",-12.088461276282416],["cc2)oc2cc(O)c(",-12.088519319616118],["sc(NC(C)=O)n",-12.088648392847116],["-c1cccc3c1[C@",-12.088727895037202],["2c(cc1OC)-c1cc(N",-12.08880440528518],["▁Cc1nnc(N/N=C/",-12.088959349982586],["Cc1c-2n[nH]c1",-12.088976912471578],["[C@H]3O[C@]3(C)C",-12.088987041559808],["=C1\\NC(=O)CS1",-12.08900309224676],["CCN(CC1CC1)C2",-12.089169773328996],["Nc1cc(N2CCCC2C",-12.089267367831054],["▁Cn1cc(C2=C(c3c",-12.089291477883824],["CC2(C1)CN(",-12.089307132716902],["c1cccn2c(=O)",-12.089337942727596],["C43C)C1C",-12.089362433276229],["Nc2ncnc3onc(",-12.089388011875844],["c3ccc[nH]c-3n2)",-12.089415442253602],["c3nc(-c4ccncc4)n",-12.08942340550329],["▁Cc1cccc(C(=O)n2",-12.089429183047624],["c2N)n1",-12.089447815709724],["c3ccsc3c2=O)",-12.089508798418647],["O[C@H](CC=C(C)C)",-12.089512061021274],["c2nnnn2C2CCCC2)",-12.089699863560536],["c(-c4cncs4)",-12.089700390354242],["nc1Nc1cc(C2CC2)",-12.089708306885774],["cc(OC(=O)N(C)CC)",-12.08981592885169],["3[nH]cc(-c4ncc",-12.0899398359625],["c4cncnc4",-12.090113303519306],["Cc1n[nH]c2c1",-12.09031688597922],["c4ccc(O)c(O)c4)",-12.090369480304808],["c2coc(-c3ccccc3)",-12.090373285251918],["CN1C2CCC1",-12.090465683509954],["(NC2=NCCN2)cc",-12.090530083267058],["Cn2nnc(C(=O)NC",-12.090647281788998],["c(OCCCC(=O)O)c",-12.090680694889237],["2c(o1)c1ccccc1n2",-12.090899583634364],["[n+](-c",-12.091030171838174],["▁CCCCOCCCNC(=O)",-12.091163812586016],["Cn1cnc2ccccc21)N",-12.091177280103404],["(C)=O)cc1COC(=O)",-12.091311513475356],["1=N[C@H]2[C@H](O",-12.091371216285513],["▁N#Cc1c2n(c",-12.091375395640554],["CN(Cc2cccs2)C",-12.091432791236723],["c1nnc(S)n1-c1ccc",-12.091438672673524],["c3)ccnc2O1",-12.091494252128609],["N(CCCC)CCCC",-12.091880669975886],["(CCc2ccccc2)nc2c",-12.091889684904698],["c2cnc(C)nc2",-12.092102971613452],["(Cl)cc2)n[nH]1",-12.092134275038712],["▁O=C(O)c1csc(",-12.092145857412326],["▁O=C1CS/C(=N\\N=C",-12.092197607739935],["3CC(=O)NC3=O)",-12.092261005940808],["oc1-c1ccco1",-12.092291549340636],["C[N+](C)(CCCl)CC",-12.092364305419892],["c(CN4CCCC4)cc3)",-12.09237643464867],["C1CCN(c2nc(N)",-12.092459252240712],["c2nc(NCc3cccnc3)",-12.092460520812844],["ccc2F)COC",-12.092701425727215],["C(C)(C)N=C(S)N1",-12.092735076552556],["c(C#CC3(O)CC",-12.0927552174273],["c(C)sc3",-12.09296551717283],["cc4c(cc3n2)OCO4)",-12.09303332605588],["▁COc1c(Cl)cc(",-12.093173453607475],["N2Cc3nccn3CC(C",-12.093179807989976],["c2coc(C",-12.093452490828964],["C1(c1ccccc1)CCN2",-12.093512374494676],["▁O=C(CSc1nncs1)N",-12.093560335303168],["C2CCC(O2)",-12.093626031156534],["C(=O)NC2(C#N)CC",-12.093652417111487],["2c(c(Cl)c1Cl)",-12.093687774117404],["c2c(ccc(=O)n2C",-12.093767111077875],["c1noc(C(C)C)c1",-12.093787518973818],["c(NC(=O)C3CC3)c",-12.093990463933787],["c(CN4CCN(C)CC4)",-12.09414536525514],["-c2ccc(F)cc2)on1",-12.0942208823896],["C(C)=C(C(C)=O)",-12.094256342043586],["COC(=O)C(O)CC",-12.09427248486732],["▁Cl.Cn1cc(",-12.094401312828523],["C(C)=C(N2CC2",-12.09441058812312],["CN1CCc3cc4c(cc3",-12.09455750079626],["c4cccc(F)c4)cc3",-12.09459049917074],["▁Cc1ncnc(N2CC",-12.094595665518716],["N1CCC2(CCN(C(=O)",-12.094609398039134],["▁COc1cc(CN2CCN(",-12.09474135621705],["▁CCN(CC)CCCNc1nc",-12.09493694312802],["Nc1cccn(C",-12.09554709168325],["c1cc(Br)c(=O)n(",-12.095588593353122],["(-c2ccc(Br)cc2)n",-12.095879729329392],["Oc1cc2c(cc1C(C)",-12.09588835366362],["c45)CC3)",-12.095930710428584],["c(-n3nn",-12.096029517932434],["sc2c(c1C(N)=O)CC",-12.0962948593735],["(-c3ccccc3)nc2n1",-12.096329026286162],["▁S=c1oc(-c2cc",-12.096355840315908],["▁CCn1ccc2c",-12.096668667750254],["noc(C2CCNCC2)c1C",-12.096690007399486],["c1[nH]c2c(c1C",-12.096771275520355],["COn1c(S",-12.096783087966358],["c(-c3ncc[nH]3)",-12.096786479136965],["=C(Nc2ccccc2)N1C",-12.096886046013374],["(NCCO)nc2ccccc21",-12.097024794933562],["P(=O)(OCC)O",-12.097040379821054],["▁CCN(C(=O)CSc1n",-12.09704286229314],["OCC(=O)NCC(O)C",-12.09727460400658],["C(c2ccccc2O)N1",-12.097349795005943],["C3(C#N)CC",-12.097388246037053],["Cc1n[nH]c(=O)n1-",-12.097480699984008],["c1nc(-c2ccoc2)",-12.09752628826756],["c3ccc(O)c(C)c3",-12.097654102694332],["[O-])c1.[Na+]",-12.09785327116498],["c2ccc(N3C[C@H](C",-12.097889017520332],["▁Cc1nc(CN2C",-12.098139121511023],["▁CNC(=O)Oc1cccc(",-12.09836381834988],["sc2nc3c(cc2c1N)C",-12.098366636082154],["c1nc2c(o1)CN(",-12.098440363580352],["3c(c2)CC(=O)N3)",-12.098448685484604],["n(Cc3ccccc3)nn2)",-12.09847120623341],["CCN1C(=O)/C(=N\\N",-12.098496616199816],["▁Cc1c(O)ccc(",-12.098707726515904],["(cnn2-c2ccccc2)",-12.098739580323068],["▁COc1cc(-n2c",-12.098955692193996],["▁Cn1c(C(=O)O)c",-12.09899095860874],["N1C[C@@H]2C[C@H]",-12.09902420030716],["c2cc(-c3nn(C",-12.09906747907588],["c(-c3ccc(-c4nc5c",-12.099075927146748],["Cn2cnc(C(=O)N",-12.099105785919283],["c(-c3ccccc3CO)",-12.09914982396092],["CC2(c3ccccc3)CCC",-12.099177638645198],["4)c3n2)",-12.099403153472387],["1CCN(C(=O)Cc2ccc",-12.099432700568036],["c2cc3cccc(OC)c3o",-12.099435376599503],["NN=C1CCCC1",-12.099582302279572],["c1cc(OCC)c",-12.099653480194773],["c2c(C(=O)O)c(O)c",-12.099686025750218],["▁CCc1c(C)nc(SC",-12.09968927774979],["3c(O)nc4ccccc4",-12.099713886459591],["=Nc2nc3ccccn3c2",-12.099797272438112],["nn2c(C(F)F)cc(",-12.099927346872713],["2nc3n(c(=O)c2c1)",-12.10005458308418],["cc4c(cc32)OCCO4)",-12.10009352193175],["C(C(C)=O)=C(C)",-12.100140396395268],["c(C3CCCNC3)c",-12.100262791833266],["Cc2ccc3[nH]cc(",-12.10030302878449],["nc(SCc2nc3ccccc3",-12.100323947789075],["▁COc1ccccc1-n1nc",-12.100329408714307],["▁CC1=CC2=",-12.100380756608882],["c2[nH]cc(C(=O)OC",-12.100554313766596],["c(-c2nnc3ccc(S",-12.100577846487392],["CC(c1nnnn1C",-12.100586401562886],["[O-].[Ca+2]",-12.100724373336542],["C(c1ccco1)N1CCN(",-12.100798069972315],["c(-n3cnnc3)ccc2",-12.10084187992805],["c1csc2c1C",-12.10087912444312],["c1nc3ccccc3[nH]",-12.100921865358124],[")Cc1nc2c(cnn2C",-12.100951008544886],["-c2cccc(O)c2)c1",-12.100989563508232],["Cn2cc(Cl)cn2)",-12.101017712611426],["C12C3C4C",-12.101202381735868],["▁Clc1ncnc2c1ncn2",-12.10133410380882],["CN1CCCn2nc(CN",-12.101347359163135],["▁Cc1cc(C)c2c(O)",-12.10156043953912],["C[C@]1(CO",-12.10171395960208],["C2C=CC=CC2",-12.101823660354816],["ccc4-n4nccn4)C",-12.1018969646428],["1C2CCC1C(",-12.102012551262863],["cc3cc4c(cc3c2c1",-12.102031590441216],["c(OC(C)C)c3)",-12.102032804750044],["c(-c2cccs2)s1",-12.102040030889595],["c3cccc(-c4cc",-12.10210360641256],["▁COP(=S)(OC)",-12.102116915847697],["/C=C2/SC(=S)N(C",-12.102171683737584],["▁CN(CCCCN1C(=O)",-12.102327671585416],["S(N)(=O)=O)sc2s1",-12.10241238968202],["CN(Cc3cscn3)CC2)",-12.102608952266998],["NC(=O)CCCCC(=O)N",-12.10266862644535],["ccc3c(NCCCN",-12.103053531619947],["▁COCCCNc1nc",-12.103099529340785],["▁CCCCN1CCC(CN",-12.103151122602876],["C[n+]3ccccc3)",-12.10318161894637],["c2c(C)c3[nH]",-12.103242773505452],[")c2c(ccc3c2ccn3C",-12.10325324127485],["(Cc3ccccc31)",-12.103295300876574],["c4cccc(F)c4)C3)",-12.10332661508505],["/N=C1\\C=C",-12.10342884956697],["▁Cc1ccc(-c2ncc(",-12.103502284380427],["c4[nH]nnc4c3)",-12.103578524332155],["▁CN(C)CCSc1n",-12.103801280054332],["c(Nc3ncccn3)",-12.103824794215903],["▁COCCOc1n[nH]c2c",-12.103889970204728],["Nc2nccs2)cc1OC",-12.10395883744276],["c1c(C)nn(",-12.103958885968137],["▁CC1=N[C@@",-12.10439844072988],["c2c1c(C)nn2C",-12.104550738143878],["[B-](F)(F)F",-12.104608092246544],["Cc1noc(CN2CC",-12.104653731924222],["2CCCC1CC(NC(=O)",-12.10467623335875],["▁Cn1ccc(C(=O)N2C",-12.104717407542376],["▁O=C/C=C/c1ccc",-12.104838754876342],["Cn2nnnc2C",-12.10494525255154],["c3[nH]cnc3c2)cc1",-12.10494583751839],["c2ccc(C3CC3)cc2",-12.10502333724805],["c1sc(=S)n(-c2ccc",-12.105105725252717],["[C@@H]32)C(=O)N1",-12.105124379482955],["(C)c(C#N)c(N",-12.10515199834479],["c3c(C)cccc23)",-12.105186653352716],["NC2=NC(=O)C",-12.105274574601516],["c(-n2nnnc2SC",-12.10537346095158],["2c3c(cccc13)N=C(",-12.105413370869876],["c2c(Cc3ccccc3)c",-12.105827558091738],["1CCC[C@@H](n2n",-12.105868504064382],["C(C)NC(C)=O)cc3)",-12.105952865402486],["cc2-n2c1n",-12.10597405731521],["(O)c(C34CC5CC(CC",-12.106047002787715],["n(-c2nc(C(=O)O)c",-12.106056108720722],["OC[C@@H](O)[C@",-12.10608249523692],["c3c(c2)OC[C@@H]",-12.10611745311978],["2=O)cn1",-12.106238903194864],["[nH]c2ccc3c(c12)",-12.106271031973966],["c(-c4nc[nH]n4)",-12.10633442012822],["▁O=C(O)C1C(C(=O)",-12.106447105559347],["c4ccccc4c3n2C)",-12.106606193273842],["c1ncc(F)c(N",-12.106861109211204],["=C(\\S)N",-12.106879104238134],["c2cnn(C)c2C)",-12.106892556800368],["c(N2CCOCC2)nc(N",-12.106965666430686],["c(C(F)(F)F)nn2",-12.106992661480074],["[C@@H]2c3cccc4c3",-12.107025928097716],["c4cccc(F)c4)c3)",-12.107657035402108],["C2=CC(=O)OC2",-12.107675177888323],["▁CNc1ncc(C",-12.10781086381352],["n(C)c(=O)c2[nH]",-12.107903155184966],["#CC1(O)C",-12.107992959138777],["c3[nH]c(=O)ccc3",-12.108132836918257],["n2Cc1c(F)cccc1F",-12.108257788130532],["c2c(Cc3ccccc3)n",-12.10838132313038],["c2nc(Cc3ccccc3F)",-12.10852341017809],["c(Cl)c2ccccc2c1O",-12.108537761075883],["c(Cl)c(O)c(CN)c1",-12.108669611741806],["CNC4)n",-12.10868457134827],["▁COC[C@H](C)N",-12.108686909208986],["c(OCC3CC3)n2)",-12.108711710567263],["▁c1cnn(CC2C",-12.108943935820337],["C(N)c1csc(N",-12.108992522772432],["(C)=O)c2ccccc12",-12.109038982710835],["C4(CCCCC4)",-12.109131627410177],["▁COCCc1noc(C",-12.109151524133592],["▁CC(C)(CC(=O)O)C",-12.109205921282692],["cc(O)cc3)oc12",-12.109277903393398],["C(=O)C2(N",-12.10931183863672],["C1(C)OC(=O)C(=C",-12.109341325312409],["CN3CCCC(",-12.10935421112242],["OCC1=CC=C(CO",-12.109377419502254],["CCCN2C(N)=O",-12.10947517206808],["c2ccc(CC[C@H]",-12.109483425962583],["▁CCCCc1nnc(N",-12.109557240189702],["sc(C(N)=O)c(N)c2",-12.109568780413705],["▁CC(=O)OCC1OC(",-12.109571667624849],["(-c3nn[nH]n3)cc",-12.109589856672455],["c2[nH]c(=O)oc2c1",-12.10967987759285],["N1CCCC1)CC2",-12.109786537868732],["c1cc(C(F)F)n2nc",-12.109969510328872],["c1cc(O)cc2c1O",-12.11004320813316],["Cc1cc(O)c(O",-12.1102090023726],["c3ccc(NC(C)=O)cc",-12.110370640942463],["c3ccccc3c(=O)o2)",-12.110375331899457],["[C@@H]1C[C@",-12.11037993780111],["c(-c2cn([C@H]3",-12.11046888868134],["cc2)CCC/C1=C\\",-12.110525763179488],["SC(=O)NC3=O)cc2)",-12.110540339853015],["c3ccc(N4CCNCC4)",-12.110542419437415],["CN(CCO)C(=O)",-12.110552873649574],["C2(c3ccccc3)CC2)",-12.110588033454531],["nc(C(N)=O)cn1",-12.110633620805144],["Cc2ccc3c(c21)CC",-12.110672954440131],["2ccc2ccccc23)",-12.110812851150786],["C(=S)N(C)C2=O)",-12.11086299116698],["CCN4CCCCC4)cc3)",-12.110932968255808],["c(C(N)=O)nn2C",-12.11115453689942],["/C(=N\\O)c2ccnc",-12.111218640805406],["n2nnnc2-c2ccc",-12.111253557611557],["c(O)c(OC)c3",-12.11140564987095],["c3)n[nH]2)",-12.111560801165622],["c(Cl)c(Cl)c2)o1",-12.111602388807407],["▁Clc1ncc(",-12.111771279270428],["O)O[C@H]1n1cnc2c",-12.111818746862],["C(c2c[nH]c3cccc",-12.111842440711936],["n1cc(C#N)c2c",-12.111856921775626],["N1Cc2ccccc2O",-12.111909042381122],["n1)CCN(C(=O)",-12.112011548973827],["c2c(C)cc(O)cc2",-12.112155451849109],["c(Cc3ccsc3)",-12.112214487795075],["c(NCC(O)CO)",-12.11227298468354],["C(c1ccc(Nc2ccc",-12.112362232555174],["c1cccn(Cc2ccc",-12.112541764138442],["1C(=O)C[C@H](N)C",-12.112556380061262],["n(C2OC(CO)C(O)C2",-12.112705139739552],["▁CC(=O)N1CCOc2cc",-12.112941349225371],["C4(CCCC4)",-12.112953246578355],["c(O)cc(O)c3c2=O)",-12.113478405839173],["(N)=NC2(C)C)cc1",-12.113712697797846],["c3cn(C)nc3",-12.113736994386956],["c1c(-c2ccccc2F)",-12.113831270582535],["cnc2N(C2CC2)c2nc",-12.113916794397614],["(OC)cc(OC)cc2OC)",-12.113921686981564],["▁Cc1c(C(=O)O)sc2",-12.114018471358763],["(C)c(C#N)c(SC",-12.11405096496993],["-c2cc3n(n2)CC",-12.11415499075045],["nc3c(cnn3C",-12.114207544895295],["c3csc(N)n3)",-12.11423690858672],["C=C(C)\\C=C\\",-12.114322436033516],["c2c1-c1nc(N",-12.114633746740113],["C4=CC(=O)CC[C@",-12.114757639285497],["C[C@@H]1COCCO1",-12.11476099697916],["(C(F)(F)F)nc2c",-12.115077839511908],["Cc1[nH]cnc1C",-12.115097395501056],["c3cnc(-c4cccnc4)",-12.115103915994574],["CCN(Cc2ccco2)CC1",-12.115134254188836],["3ncnc(N)c23)",-12.115286269186273],["c1ccc(-c2nc3c(",-12.115295815863613],["▁NC(CO)(CO)C",-12.115329287333369],["(-c4cccnc4",-12.115379332639309],["c1sc(C)c2c1",-12.115611094178462],["c2snnc2",-12.115703067034325],["cc3nc2-1",-12.115719210830978],["(-c2cc(=O)n3nc",-12.115745278175543],["2[nH]ncc12)NC1CC",-12.115798545416189],["CC(CC)CCCC",-12.115859715022252],["NC(=O)c1cccc2c(N",-12.116065574702564],["CN1C(C)CCCC1C)",-12.116211953216414],["c(O)c(O)c1O",-12.116460989766974],["c3c[nH]cn3)C2)",-12.116463087700946],["N2CCOCC2)CCCCC1",-12.116775132357368],["▁CN(C)CC1(O)CC",-12.116815383827058],["Cc1cc2ccccc2nc1",-12.116985599220044],["nc3sccn3c2",-12.116988944507986],["c1ccc(C2=Nn3c(C",-12.11706959338544],["n3ncnc3n2)",-12.1172297653794],["@H]2CC[C@H]1O2",-12.117468022530977],[")N1N=C",-12.117870320635522],["NC(=O)CSc2nc(=O)",-12.117981174094608],["c4ccc(OC)c(OC)c4",-12.117999418964954],["-c2cc3ccccc3o2)c",-12.118030906514656],["(OCc4ccccc4)ccc3",-12.118079999943337],["c1noc(CN2CCN(",-12.11839709564292],["CC1c2ccccc2N=C(",-12.118480459758745],["2C3=C(COC3=O)Nc3",-12.118578249662727],["▁OCC[C@H]1C[C@",-12.118773247109583],["c1c(N)[nH]c(",-12.11885690516734],["CCCCCCCN=c1ccn(C",-12.118918486546656],["4c(cc",-12.11909518602574],["▁CCN1C(=O)CC(",-12.119258307849492],["▁CN(C)c1ncccc1CN",-12.119261884235849],["COc2cccc3c(=O)",-12.119336341183068],["cc(-c2noc(C",-12.119431251917725],["▁O=C1N(CCN2C",-12.119637213092313],["N2CC[C@@]3(CCCN",-12.11969442272386],["1)OOC1(O",-12.11970503843944],["[C@@]4(C)C2=C",-12.11973505399427],["(-c4cnn(C",-12.119814177391271],["F)N=C(N)O",-12.119904191695344],["C2(N(C)C)CC",-12.119931119098784],["c1cc(-c2cncnc2)",-12.119952809490162],["CNCc2c(C)nn(C)c2",-12.11996090289775],["-c4nnn[nH]4)ccc3",-12.119984555061729],["cc2)c2c(n1)-c1c",-12.120214792619077],["NC1=NCC(",-12.120446592069786],["▁O=C1OCCC1Sc1n",-12.12059512050898],["[C@@H]1N[C@@H]",-12.120767233774773],["c3c2-n2cccc2",-12.120768796038522],["2oc(=O)ccc2cc1",-12.120845915181278],["[nH]c(=O)c2C#N)c",-12.121087757549237],["c5cccc(F)c5)",-12.121103580384586],["c2n[nH]cc2-c2ccn",-12.121120811056104],["▁Cc1c2c(=O)n(",-12.12115281722389],["c-2cc1",-12.121200198752222],["N1N=C(c2ccccc2O)",-12.121231289539551],["c(O)c(O)\\c2=N/",-12.121328188588592],["▁N#C/C(=C(/N)S",-12.12132822846775],["(C1)Cn1c2cccc1=O",-12.121328268029435],["c3c(c2)COB3O)",-12.12132829974885],["3COC(N)=N3)cc2)n",-12.121328368667626],["(N/C(C)=C2\\C(=O)",-12.121328779631542],["(N/C(O)=C2\\C(=O)",-12.12132900155838],["C1C=CC2C12CC2",-12.12132906171314],["-c2c[nH]c(C3(NC",-12.121329441840915],["NC2(CCCCO2)CCS1",-12.121330195415736],["CCCN4C(N)=O)c2)",-12.121331563670031],["▁CCC/C=C(\\CCC)",-12.12133296482994],["C23CCC(C)(C(=O)",-12.121334595779148],["c2c3c(nc4ncnn24)",-12.121334780205109],["CSc1nc(N)cc(N)n1",-12.121337405382883],["c(Nc2nc(Cl)cn(",-12.121342651192624],["▁c1ccc2nc(N3CC(",-12.121347594663447],["▁Nc1nnnn1/N=C/",-12.121347773027964],["CCCC[C@@H]1CCSS1",-12.12135212448783],["c1c2c(cc3c1CC1(C",-12.121373656947153],["c3nc4c(c(N)c3",-12.121374253133],["C)n1cnc2c(nnn2",-12.121375254325816],["C(SCCO)=C(SCCO)C",-12.121382193405427],["2(CCN(C)CC2)OC1C",-12.121396777706517],["-c2nnc3c4c(c(OC",-12.12140174374863],["Oc1ccccc1C2SCC",-12.121403809100672],["▁CN(C)C1CSC(C#N)",-12.121423172470156],["CCN(CC1=NCCN1)C2",-12.121437917230825],["[N+]1(C)[C@H]2CC",-12.121440075432403],["C)c(=O)n(C)c3cn2",-12.121445101684468],["c2cccc(NC(C)=O)",-12.12145863631896],["C12CC3(C)CC(C",-12.12148197044026],["c2c(Br)cc(Br)cc2",-12.121514473313848],["CN4CCC[C@H]4C)cc",-12.121520511486075],["c2c1C1CCCCN1C2=O",-12.121540135151609],["c1cc(F)cc2c1OC",-12.121563859357456],["(F)F)cn3)ccc2n1",-12.121569068549915],["▁CCC(C)C(N)C(=O)",-12.121620666177211],["C2CC2)CC[C@]314",-12.121641561461091],["N2CCc3ncnc(C4CC",-12.121673278119143],["C1C(C)(C)C1(C)C",-12.121678834435524],["3c4ccccc4ccn3c2C",-12.121690233752629],["▁CCN1c2ncc(CC",-12.121696106198495],["1CCNCC1)n1cc(",-12.121711060843891],["CC(C23CC4CC(CC(",-12.121732915660786],["Cn1cc(COc2ccc",-12.121743764603012],["c2ccc(F)c(Br)c2)",-12.121771081689923],["nc(-c3ccnc(C)c3)",-12.121792539257497],["▁Fc1c(F)c(F)c(",-12.121837545321227],["▁CNC(=O)c1cc2c(O",-12.121980909078118],["[C@](c2ccccc2)(",-12.121985859572415],["c(C(N)=O)nc1-2)",-12.122047098082652],["Nc3ncnc4c",-12.122173619504586],["C[C@](N)(CO)C",-12.12217807453512],["c(O)c2ccccc2n1)N",-12.12221809638752],["2CC(=O)C(N)CC3)c",-12.122318174574811],["N)nnc2C(N)=O)",-12.122369953698405],["C(C)(C)C=C2C",-12.122412218599004],[")C[C@H]2N(C)C1",-12.122481841601171],["C1C(C(=O)O)[C@",-12.122512216632284],["CC(=O)O)c2cc1Cl",-12.122647311233289],["C2(Cn3ccnc3)OC",-12.122670833757104],["▁O=C1NCc2c1c1c",-12.122679349884963],["▁O=C(NCC1CCOC1)",-12.12269367911977],["CC1SC(=O)NC1=O)N",-12.122736549762772],["1cc(Cl)ccc1n2O",-12.12276978549847],["N3CCCS3(=O)=O)c",-12.122836744401727],["CCNc1nc(N)n",-12.122868943244804],["▁CCc1cc(=O)oc2nc",-12.122914954851728],["nc3sc4",-12.122962253736006],["c1nnc(C2CC2)o1",-12.123003511259933],["(Cl)cc2)s/c1=N\\",-12.123060410550757],["▁COCCN(C(=O)CCl)",-12.123098747769646],["cc(-c2cc(C3CC",-12.12315255142597],["CC2(CC(=O)O)CCCC",-12.123292197909606],["2c1[nH]c(=O)c1sc",-12.123348250127034],["▁C#Cc1cn([C@@H]2",-12.123367081413845],["4c(c3)NC(=O)CO4)",-12.123450374889924],["[C@H]3CCCC[C@H]3",-12.123499189087052],["(-n2nc(C3CC3)cc2",-12.123508944252627],["c(CN(C)C)c(O)",-12.12369813364568],["[nH]c1ccc(F)cc12",-12.123823348729076],["CNCC1(O)CCCCC1",-12.123857255998756],["c2cc(Cl)sc2",-12.123923558479532],["Nc2nccc(-n3ccnc3",-12.12404588047221],["▁O=C(CS)NCCCC",-12.124101118203862],["▁O=C1CCC(c2ccc(",-12.124181135092602],["▁COc1cc2nnc",-12.124265707752327],[")c1c(C)n[nH]c1O",-12.124269570220616],["c2nc(C3CCCC3)",-12.124377268034246],["n4c(nc3c2)CCC4)",-12.124393964086714],["NC(=O)CCc2c(C)n",-12.124469850673371],["c3ccc(-n4cnnc4)c",-12.124573261687871],["▁CCCCCCCCCCn1cc(",-12.124877563759156],["[nH]c2cc(=O)n1C",-12.124880232145534],["Cc1nc(C2CC2)no1",-12.124990895806771],["nc2c(Br)cnn12",-12.125028543556104],["#CC(O)(c1ccccc1)",-12.125156875444471],[")ccc3Cl)n",-12.125159412652362],["-c2cnc(N)c(-c3cc",-12.125331453962923],["c3c2oc2ccccc23)",-12.125424035113785],["▁O=C(/C=N/O)N",-12.1255481507178],["▁CC(C)N(Cc1n",-12.125643815636357],["N1CCN(CCCNC(=O)",-12.125644296843152],["c(-c2cn(-c3cc",-12.12578092746739],["c1cn2ccsc2n1",-12.125863215305548],["c(N2C[C@@H]3CN",-12.12590765605222],["c1cc2n(n1)CCCNC2",-12.125926819678815],["c4ccc(O)cc34)",-12.125973574615466],["(-c2noc(C)c2",-12.126019725176358],["[C@H]1COC(c2ccc",-12.126150646418962],["C(=O)/C=C/c1c(O",-12.12618170873476],["[nH]c2cccc(F)c12",-12.126230718451264],["c2cc(N3C(=O)CSC3",-12.126406752342724],["c(C)n1Cc1ccco1",-12.126488702187556],["c2ccc(CCO)cc2)",-12.126507414852242],["▁Cc1cc(C)n2cc(CS",-12.126511184816389],["3CCOc4ccccc43)",-12.12652529099159],["-c3ccc(/C(N)=N\\O",-12.126567451836875],["O)c(O)c3)cc2C#N)",-12.12661789328778],["c3ccc(C4=NCCN4)",-12.12677689846259],["(F)c(F)c2)c1",-12.126840301452644],["c(=O)c2c(O)cc(O)",-12.127080131255356],["CC3(CCN(C(=O)",-12.127125628259586],["▁COc1c(C)c2c(",-12.12714044987114],["(=O)nc-3n(C",-12.127276236944454],["nc3c(C)ccc",-12.127370877668271],["nc3cc(C)ccn23)c",-12.127378012566403],["2CCOCC2)ccc1",-12.127534270759462],["Sc1nc2ccccc2s1)N",-12.127601861243738],["c(CN3CCOCC3)n2",-12.127878341956148],["c2c(C)cccc2Cl)",-12.12788069297735],["Cc2cc(C(C)C)no2)",-12.127888592373075],["C/C=C\\CCC(=O)O",-12.12794226346785],["C(=O)C(Oc1ccc",-12.127968984423491],["cc3cc(O)ccc3c2)",-12.12799916604964],["c1cc(OC)c(O)c",-12.128062316725844],["C(NC(=O)c1cccs1)",-12.128224450300747],["c3cc(-c4ccncc4)",-12.128259811977044],["c2cc(Cn3ccnc3)cc",-12.128461699267016],["c3cc(Cl)ccc13)",-12.128510947441344],["[C@H]2CC3C",-12.128551949657837],["▁Cc1cccc(Oc2ccc(",-12.128555070471425],["c1cccc(B(O)O)c1",-12.12863274984198],["Cn1ccc(=N)",-12.128704295542644],["c1cc2n(n1)CC(CNC",-12.128745918358629],["c(CC(N)=O)c",-12.128809942350989],["c(Cl)ncn2-c2ccc(",-12.128902233134506],["(N)c(C#N)c(C)",-12.129136591439574],["Nc2nc(NCC3CCCO3)",-12.129185403039768],["c2ccc3c(c2)COC3)",-12.129231859662973],["C1Oc2ccccc2NC1=O",-12.129384694997812],["nc(O)c1ccccc12",-12.129459103080494],["▁CC(=O)NC(c1ccc",-12.129471151664106],["[C@H](CCC(N)=O)",-12.12948090549768],["N1CCC=C(c2nsnc2",-12.129608595746616],["n1c(=O)ccn(",-12.12989735063821],["c2ccc(CC(=O)O)cc",-12.129968007717244],["P(N)(",-12.130019697148509],["CC[C@@H]4[C@H]3",-12.130022994068227],["N2C3CCCC2CC(N",-12.130081272035111],["c(-c3csc(C)n3)",-12.130170444735953],["Nc3ccccc3S2)",-12.130355319277673],["CN[C@@H]2C(=O)O",-12.130361207603803],["(N2CC2)=",-12.130440348373812],["(C(=O)CC(C)C)",-12.13057058255503],["(C)CCC[C@]1(C)OC",-12.130598318208316],["Cn1c(-c2ccc(Cl)c",-12.131001560187515],["c(Cl)cc23)CC1",-12.131129759706749],["sc(N3CCOCC3)n2)",-12.131426158394198],["cc(c23)C(=O)N1",-12.131504113085676],["C(=O)C(Br)=C1",-12.131571762037694],["coc2cccc(OCC",-12.131586243151082],["c2cc(-c3cn4nc(",-12.131771367844044],["(c1ccoc1)OC2=O",-12.132147199565289],["c2c(c1)NC(=O)C21",-12.132191475454016],["c(NC4CCNCC4)",-12.132241380127372],["NC(=O)c1c(O)c2cc",-12.13226081167653],["c(Oc2ccc(-c3noc(",-12.132278635530795],["c1cn2ncnc(Nc3cc",-12.132428376362396],["c5ccccc5)cc4",-12.132444325238431],["(C3CCNC3)",-12.132468351633957],["nc(-c3ccccn3)nc2",-12.13270639446638],["C2=NNC(c3cc",-12.132783839056833],["▁CCn1nc(C)c2nc",-12.133072200354434],["S(=O)(=O)C2CC2)C",-12.133126158794678],["c2ccc(-c3cncc(OC",-12.133153630978075],["3ccccc3n3cnnc23)",-12.13318394345536],["c3cccc(CO)c3)",-12.133247345443632],["SC(c2cccnc2)N1",-12.1333414547446],["n1c2nc3ccccc3c-2",-12.133518128597313],["c(OCc2cccc(F)c2)",-12.133519568851238],["3[C@@H]4CC=C5",-12.13358024734246],["▁Cc1ncc(-c2ccc(",-12.13361913377394],["C[S+]([O-])c1n",-12.133638842195134],["▁CCc1nnsc1C(=O)N",-12.133749727673658],["▁CCNc1n[nH]c2c",-12.133801462758644],["c1c(Cl)cnn(",-12.133828448887815],["c(C#Cc2ccc(CC",-12.133937790168766],["▁c1ccc2c(c1)ncn2",-12.133970100665794],["c1n[nH]c(=S)",-12.13401899919356],["(C)c1ccc(OC(C)(C",-12.134181826294132],["▁CC(C)=CCOc1cc(N",-12.134324350623087],["▁NCCCNCCCC",-12.134389072980126],["nc2c(N)nc(",-12.13442748041631],["ccc1Nc1nc(N)nc(",-12.134682831838653],["[C@H]2CNC[C@H]2",-12.134827540729445],["c(-c2ncoc2-c2cc",-12.135048518054804],["c1c-2ccc2c1C",-12.135283268219863],["▁N[C@H]1CCCN(",-12.135477037119031],["nc(N3CCCCC3)n2)",-12.135589819955689],["(/C=N/N=C(\\N)NO)",-12.13563439308174],["c4c(c3)CCC(=O)N4",-12.135647568835232],["C[n+]1c(C)sc2",-12.135807686889196],[")c(CN)c(",-12.135829377028095],["c5c(c4",-12.135896363067156],["2CCCCC2Cn2cncn2)",-12.135963657050803],["CCN3CCCC3)cc2)",-12.136007899379177],["c3cnn(C)c3)CC2)",-12.136014823698796],["N(c2ncccn2)CC1)",-12.136101236334406],["n[nH]c3cn2)",-12.136139919962345],["H](O)[C@H]2O)cc1",-12.136144880372797],["c4ccccn4)cc3",-12.136198419238912],["▁CN(C)/C=N/c1n",-12.13623304656302],["c(C(=O)C[n+]2cc",-12.136245743002767],["C[C@]12CCN(C",-12.136310432467326],["c1cccc2c1[nH]c1",-12.136452221952627],["c5ccncc5)",-12.136478244881642],["C(C)(C)C1CC=C(C)",-12.136513430785662],["Cl)/C=C/C(=O)N(C",-12.1365652245819],["c1ccc(C)c(Nc2nc",-12.136607855240031],["n(CC(F)(F)F)c2c1",-12.136722465820007],["\\c1cccs1",-12.136953483604469],["OC(C)(C)O[C@@H]3",-12.137253068610708],["c(cc3occc32)c1=O",-12.137435407586954],["nc2c(n1)O[C@@H](",-12.137494086724391],["N1CCc2nc(O)n3",-12.137601847993889],["c2ccc(O)c3c2",-12.137764232536096],["c3c(Br)cccc23)",-12.13793135905512],["▁CC(C)n1c(=O)n(",-12.138158272634444],[")nnc3c3ccccc23)",-12.138342419992426],["CSc1n[nH]c(N)n1",-12.138500204045004],[")=NO3)",-12.138590229431768],["cc(-c3ccccn3)n2)",-12.138632823733378],["▁CN1CCN(CCCN",-12.138793096601518],["c(-c3cccnc3F)",-12.138862454512331],["c3c2CCNCC3)cc1",-12.13893453904187],["NC(=O)C12CCN(",-12.13894634581792],["c1nc(COc2ccccc2)",-12.139095648443316],["(Cc2ccccc2C#N)",-12.13912744119878],["c(COc3ccccc3)nn2",-12.139143660495629],["c(C(=O)/C=C/c3cc",-12.139224667892805],["▁Cn1c(CN2CCN(",-12.13942127393431],["c(-c2ccc3[nH]nc",-12.139544522740367],["C=C[C@@H](C)N1",-12.139608277175904],["(SCC#N)n",-12.139627167201729],["ccc2cccc(O)c2n1",-12.139640482946422],["▁Cn1c(=O)c2[nH]c",-12.139706389563942],["c[nH]c2c(=O)[nH]",-12.139827447992529],["CCC(C2)[C@@H]1",-12.139876122860136],["NC(=O)c2cnc3sc",-12.139914962854116],["N2CCC3(CC2)COC",-12.13997699024484],["cc2nc3c(O)n(C",-12.140083198038026],["c(NC(C)C)nc2",-12.140265673890717],["▁CCOc1cccc(OCC",-12.140315466228904],["c2c(Sc3cc",-12.140330345865571],["▁CC1(C)CCc2cc(",-12.140447610813016],["CC2C3Cc4ccc(O)c",-12.14064591630182],["▁CC1CN(C)CCN1",-12.140694499812763],["ON(C)[C@H]2C",-12.140865236467292],["[C@]1(O)CCC2C3CC",-12.141219919288162],["n3ncnc3N2)",-12.141290091854945],["N1CC2CC(C",-12.141304998201733],["c1nn(-c2ccccc2F)",-12.14145131569419],["▁CC(COc1ccccc1)",-12.141638558609015],["c(C(=O)N(C)C)c2)",-12.141677789910757],["cc3c2N)cc1",-12.14168481384042],["▁O=S1(=O)CCN(C",-12.141777895411929],["c(C3=NNC(=O)CC3)",-12.141882548963778],["CN1C(=O)CC[C@H](",-12.141938701087366],["Cc3ccc(F)cc3)o2)",-12.142106041403204],["C(=O)N1CC(O)C",-12.142414703615252],["c(-c2nc(CNCc3ccc",-12.142428338059798],["c3n(c",-12.142452770796377],["C(=O)NO)N(Cc1ccc",-12.142469093790536],["C[C@@H](Nc1ncnc2",-12.14271144543773],["(C(=O)c2cn(CC",-12.142810834438936],["c(C(=O)O)cn(",-12.143028748115947],["(-c2ccccc2)c2cc(",-12.143166977954488],["c(Cn3cccn3)c",-12.143195117978449],["c1nc(Cl)cc(N",-12.143201439323857],["Cc4ccsc4)C3)",-12.143314347642953],["▁Cc1cc(=O)oc2c1c",-12.14332360024951],["c4ccncc4)CC3)",-12.143329140230485],["c4)cnc3",-12.14340270129722],["c2ncc(Br)cn2)",-12.143536099588951],["C1CCc2c(-c3cc",-12.143669722880013],["(C(=O)Nc4nccs4)",-12.14371453690319],["▁CCC(CC)N1CCN(",-12.14383745261743],["▁C[N+](C)",-12.144437723837688],["3c(c2)NC(=O)CS3)",-12.144495418059446],["c1c(C)oc2ccc(O",-12.144503859583612],["Nc1ccc2c3c(nn2CC",-12.144579308151902],["C2CCSc3ccccc32)c",-12.144610446332152],["c4ccccc4n3c2=O)",-12.14472662276746],["SCCN2C(=O)c2ccc",-12.144852605054826],["▁Cc1ccc(Nc2nnc(S",-12.145103672120854],["[C@](C)(C(=O)NO)",-12.14511433858578],["c4ccccc4Cl)CC3)",-12.14521820133741],["c(C(N)=O)nc3cc(C",-12.14526733321422],["n2ccc3ccncc32)",-12.145349270543347],["NC1=NN=C(c2cc",-12.145638050577263],["Cc2c(cccc2NC(=O)",-12.145697588772286],["▁O=C(Nc1ccn(",-12.145733286173233],["▁O=C1CN2Cc3c",-12.14578625627405],["c3nc(Cc4ccccc4)",-12.14584264963315],["▁CCC(CC)Oc1c",-12.146067196525436],["nc(N3CCCC3)nc2",-12.146123180834708],["(C)c(Cl)c2C)",-12.146196967142233],["(CCC(C)=O)",-12.14620959182246],["ccc(OC)c(=O)cc1",-12.146266724620896],["c1c(-c2ccccc2OC)",-12.146360971150909],["2CCN(c3nn",-12.146418035162728],["▁COc1ccc(NC2=C",-12.14643775293972],["N2CCOCC2)ccc1Cl",-12.146647248307444],["3CCCCC3)ncnc21",-12.146758702704142],["▁Cn1cc(-c2cnc3cc",-12.146884259385756],["C(=O)CCc1c(C)n",-12.14703887678828],["▁c1ccc2c(c1)CCN(",-12.147082671461282],["c(/C=N/N2CCN(",-12.1472120854984],["1CCCN(C2CCC2)CC1",-12.147333206588478],["C(C)(C(N)=O)C",-12.147338464499102],["ccc(O)cc3)coc2c1",-12.14736763896671],["Oc1ccccc1-c1nc(C",-12.147462602581417],["c(C)cn2c1",-12.147466176034085],["c(-c2cccc(CO)c2)",-12.147553217780162],["[C@@H](F)C[C@H]1",-12.14758850258235],["c2C)c(N)n1",-12.147611533104808],["c2cccc(F)c2)CCN(",-12.147613003818028],["▁C#CCNC1CCc2c",-12.147764059094008],["(O)nc3ccccc23)",-12.147816389258816],["(C)c(C)c2c(c1C)C",-12.14789449676074],["cc2ncccc12)",-12.147919877897776],["cc(-c3ccsc3)n2)",-12.148308096780916],["(N4CCN(C)CC4)cc3",-12.14927533733566],["(OCCN3CCCC3)cc2)",-12.149284769086991],["c(OCCC)c",-12.149522396711443],["▁O=c1c2cc(Cl)cc",-12.149532018888364],["(-c3cc4c([nH]",-12.149721133829672],["c(-c3cccnc3O",-12.149823364007982],["N1C2CCC1C(CO",-12.14996037255457],["5)[nH]c4c3)n",-12.150060883144212],["(Nc2cc(=O)n(CCCC",-12.150264921590104],["c(C(C)=O)c(O",-12.150280955469634],["c1ncc(C(CNC(=O)",-12.150338549391288],["ccc3c(N)c2c1",-12.150457447035205],["c1ccc(Nc2cc(C)n",-12.150457863910193],["cnc3[nH]ccc3n2)",-12.15047716613718],["(n2ccc3",-12.150646072455746],["(-c3ccccc3)nnc2",-12.150927477827487],["C2CN(C(=O)c3cc",-12.15096266027597],["Oc1ccc2c(C)c(",-12.151031689499096],["c3ccncc23)",-12.15104619601362],["c4ccoc4",-12.151212252454744],["▁OB1OCc2ccc(",-12.151398108605228],["c(C)c3c2N)",-12.151398326219889],["c3ccc(Cl)cn3)c2)",-12.151411241763368],["▁Cc1ccc(OC2CCN(",-12.151742751367411],["c4)no3)",-12.152070550403558],["c(/C=N/NC(=N)NO)",-12.152257070636868],["C2c3ccc(Cl)cc3CC",-12.152555156606326],["3CC(c4ccccc4)",-12.152677151123113],["▁COc1cc2c3c(c4cc",-12.152680210439817],["c1ccc(OCCCOc2ccc",-12.152821194692336],["n(C2CC2)c2c(F)c(",-12.152834012883917],["c2[nH]c3c(C)c4cc",-12.152885463888843],["ncc(-c2ccc3[nH]c",-12.15302224218784],["Cc4ccccc43)C2)C",-12.153038589166847],["=Nc3ccccc3S2)cc1",-12.1530743862607],["(Cl)cc2)nc1C",-12.153726787347292],["c4ccc(Cl)cc4)cc3",-12.153778503612044],["c1c(O)cc(CCCCC",-12.15430674295257],["c2ccc(OC)c(Cl)c2",-12.154462337120153],["▁Cc1cccc(Oc2nc",-12.154521199697424],["CC(O)C#CC#C",-12.154677528761264],["c3c(N4CCOCC4)nc",-12.15481918898411],["OC12CCN(CC",-12.15494425783504],["N(C(=O)Nc1cccnc1",-12.154961129790046],["▁COc1ccc2c(Cl)c(",-12.154988961208645],["ccccc",-12.15512938699615],["n2)CCNCC3)",-12.155137384273932],["NCCn3cccn3)",-12.155152043546044],["▁COc1cccc2c1CC(N",-12.155255852702908],["▁Cc1ccn2cc(C",-12.1553001374028],["▁Cc1ccccc1-n1cc(",-12.155343277212966],["c(/N=C/c2c(O)",-12.15550767001394],["▁C/C(=N",-12.155566439313192],["c2ccc(I)cc12",-12.155630773024072],["N)Oc2cc(O)ccc2C1",-12.155953715882475],["(Sc2c[nH]c3cc",-12.155980194265254],["cc1-c1cnc2c(c1)",-12.156083426015076],["c(=O)oc2c(C=O)c",-12.156159299025646],["1CCC(O)C1",-12.15639294536211],["Cc3cnn(C)c3)C2)",-12.156400630848278],["c1ccc2c(/C=C/c3c",-12.15640934458095],["c1cc(F)c(F)cc1",-12.15650233913938],["c(-c3cnc4[nH]",-12.1566545022559],["N4CCC[C@H]4C",-12.156742592887412],["cc(OCCNC",-12.15704168845537],["(NC(=S)NCC",-12.15711677807844],["c4ccccc4)ncc23)c",-12.157281507078176],["(O)c(C)c(O)c1",-12.15742339478756],["c(COc2ccc(/C=N/N",-12.15758426771945],["c3c(nc2c1)",-12.157829157682226],["O/N=[N+](\\[O-])N",-12.157882295021611],["c3c1CCC3)CCC2",-12.15804139506777],["@](C)(CC[C@@H]",-12.158053382317249],["N1CC2(CCCN(",-12.158238288267306],["▁CCN(C)c1ncnc2c1",-12.158330941297317],["c3)cc(=O)c2c1",-12.158331087016192],["c3c([nH]c12)C",-12.158397633709138],["/C=N/Nc2ncnc3sc",-12.158683464056129],["c1cc2c(=O)oc",-12.158769814443],["c4ccccc4C3C2)",-12.158772955559138],["(Nc2ccccc2)=NC",-12.158823049305427],["OCO4)cc(OC)c1OC",-12.158863149276586],["-c2cccc(O)c2)on1",-12.158932917364204],["1(c2ccccc2)CC1CN",-12.1589359883123],["c1cccc2c3c(n(C",-12.159007970633366],["CCCCCOc2ccc(C3=N",-12.159213177847162],["4CCOCC4)ccc3",-12.159227247814192],["c1cnc(-c2cc",-12.159408584499367],["c1c(C)sc2nc",-12.159453281593242],["Cn1c(=O)c2c(nc3",-12.159475059771475],["1C(=O)N/C(=C\\CCC",-12.159618114506834],["[3H]",-12.159762636813138],["1)C[C@@H]1CC",-12.15979371050419],["4c(s3)C",-12.159817497138564],["CN(Cc4ccncc4)C",-12.15991015636249],["1CCO[C@@H]2",-12.159958552670613],["(C(C)C)nn(C)c",-12.159963972072156],["/C=C/C(=O)O.O=C(",-12.159987820991269],["ccc3n3nnnc23)cc1",-12.160011844275028],["c4ccccc4)ncnc3",-12.160035975322677],["CCOCCCNC(=S)N",-12.160059135558395],["C1=C(C)N=C(C)",-12.160143227826437],["N(C1CCC1)",-12.16015883142018],["H](O)[C@H]1CO",-12.160176365733792],["cc(OC)c(OC)cc34)",-12.160428774586908],["c(-c2nc3cccnc3n2",-12.160485972799831],["C(Cn1cncn1)C",-12.160516744897745],["nc2cncnc21",-12.160573788165165],["c3ccc(-c4ccccc4",-12.160626315891516],["▁Cc1ccc(Cc2cnc(",-12.16082089814032],["n3c(C)csc3n2)",-12.16082698717116],["c1c(O)nsc1N",-12.16088247662348],["c4ccc(C#N)cc4",-12.161065221822682],["sc3c(c2c1=O)CCC3",-12.161269226387372],["Cc3ccccc3CN2C1=O",-12.161289347427497],["1OC2(CCN(C)CC2)C",-12.161302383237691],["c4[nH]c(c2c34)C1",-12.16132819009272],["2[n-]c(=O)sc2C=",-12.161328192847328],["c2c(Br)sc(Br)c2",-12.161328199843442],["c2ccc4c(c2)OCO4)",-12.161328216661529],["c1c(CCO)sc[n+]1C",-12.161328222406649],["c4c5ccccc5nc-4c",-12.161328473538257],["▁O=c1cc2c(nn1C",-12.161329574149116],["Nc3nc(N)nn32)c",-12.161329863394796],["c2c3ccnc(C)c3n(C",-12.16133084005353],["3c(-c4cccc(N5CCC",-12.161331811872532],[")C(=O)NC1COCC1=O",-12.161331928296883],["N3CCOCC3)nccn2c1",-12.161332276661916],["c1cc3c(cc12)OCO3",-12.161333659934211],["4ccc(=O)oc4c3)",-12.161334827323628],["Cc3ccc(C=O)nc32)",-12.161339212484563],["nnc(N)s4)cc23)",-12.161339637844398],["c1nnnc2c1sc1nc(",-12.161348920463851],["4CN(CN(C4)C2)C3)",-12.161349576959417],["C[C@@H](C(=C)C)",-12.161352118972768],["-n2nc(C(N)=O)cc2",-12.161361110477513],["c(-c4ncn[nH]4)c",-12.161433564092212],["3CCCN3C)",-12.161434999329066],["Nc1ncnc2c1nnn2C",-12.161437310362958],["C(Cl)(C3)C1)C2",-12.161488372976386],["O)CCC23)C2(C)C",-12.161504173751872],["/N=C2\\CCCCCN2)",-12.161579459046695],["c2c3c(ccc2[nH]1)",-12.161587316380553],["CCn1c-2cc(OCC2C",-12.161595166977945],["=O)c(C(=O)O)cn21",-12.16162072200406],["c2cccc(=O)n2C3)",-12.161685156364191],["c2cc3c(cc2Br)OC",-12.161848448150852],["▁CCc1noc(CC)c1C",-12.161872827247556],["CN2Cc3c(sc4c3C",-12.161877028707492],["NC(C)(C)CO",-12.16194515498382],["CC(=O)C2=C(C1)",-12.162004650480291],["c(C#CCO)",-12.1620828016416],["▁CC1=C2[C@H]3O",-12.162098296597463],["C(C)(CCC=C(C)C)",-12.162139354082374],["C4CCCCC4)cc3)",-12.16214487695408],["▁CCC1C(=O)N(C",-12.162248473413936],["nc(-c3cccnc3)nc2",-12.162358168107296],["C2=C(C)C(=O)OC2",-12.162369243177178],["(c1cc2ccccc2s1)",-12.162426489788782],["c4C3)ncn",-12.162520871544446],["c(N)nc4",-12.162598776300896],["c(CCc3ccccc3)c2",-12.16259991424636],["c1ccc(-n2nnnc2-",-12.162721420845138],["c1n[nH]c(=S)o1",-12.162736445495366],["c4ccccc4n23)",-12.162752739757725],["(-c2c[nH]cn2)cc1",-12.162753803046094],["C1(c2cnccn2)CCC",-12.162892590988932],[")ccc31)Sc1ccc",-12.162893919015168],["/[N+]([O-])=N/",-12.162965438506792],["▁C/C(=C\\COc1cc",-12.16302417132364],["Cn2c(C)csc2=O)c",-12.163068686788632],["c(OC)c1OC)-c1ccc",-12.163101201979366],["c2ccc(-n3ccc(OC",-12.163140677227585],["c2cc(C)n(C)c2C)",-12.16321135873455],["▁NC1=C(c2",-12.16328269833278],["c3c2ccc2ccc",-12.163282832619482],["(Cl)cc3)nc2c1",-12.163302251934306],["c2)oc2c",-12.163343845925944],["CCn2ccc3ccccc32)",-12.163385006644893],["▁Nc1nc(O)c2nc(",-12.1633974811309],["(-n2ncc3c(=O)n(C",-12.16350015269672],["c(Cn3cncn3)c",-12.163652376376447],["c(=[N+](C)C)cc-3",-12.163674100310534],["CO[C@@H]3[C@H](",-12.163883846460037],["-c2nc(C(F)(F)F)c",-12.163956908911905],["c2oc3c(Cl)c",-12.164071694220778],["c(N3CCC(O)CC3)n",-12.164431260518072],["c2ccc[n+](C)c2)",-12.164436889668536],["c2c(cc(O)c(O)c2",-12.16447129344719],["(-c3cccc4ccc(",-12.164522263331062],["c3cc(F)cc(F)c3",-12.164526808705231],["(O)c1cccc(OCc2cc",-12.16460757706352],["1C(=O)CC(=O)N(CC",-12.164688432005606],["c2oc(=O)[nH]c12",-12.164711795187634],["2cc3c(cc2s1)OCO3",-12.164733771456094],["▁C[C@]1(O)C(n2c",-12.164759464930178],["n3cc(C(=O)O)cn3)",-12.164816758140834],["c2cc3c(cc2O)CC",-12.164976401464427],[")c4ncnc(N)c34)cc",-12.165016908624548],["▁N#Cc1cccc(CN2CC",-12.165239918300156],["c2cn(COCCO)c(=O)",-12.1652650425242],["▁C=C(C(=O)OC)C(O",-12.16533259897658],["▁COc1cc(N(C)C)c",-12.165552020990384],["NC1CCSc2ccccc21",-12.165581997306512],["c2nc(C)nc(O)c2c1",-12.165838425763564],["C(=O)Nc2c3c(nn2",-12.165901741908876],["c(OCC)c(OCC)c",-12.165931738447911],[")NCCCc1c[nH]cn1",-12.166063373199057],["Cn1nc2c3c(c(NCCN",-12.166112386918131],["N3CCCC(C(=O)N",-12.16626348512385],["C(=O)/C=C/C(C)Cl",-12.166452622317324],[")c1ccc(OC2CN(c3n",-12.166483992829503],[")NNC(=O)c1cccs1",-12.16655778018752],["CCn1nc2c3c(c(N",-12.166599246724104],["2cnccc2[nH]1",-12.16661962997578],["cc(N(C)C(=N)Nc2c",-12.166646403453694],["n2cc(C)cn2)",-12.166697449380074],["CCN=C1c1cccnc1",-12.16677196821867],["CSc1nc(N)c(",-12.16680396538449],["c1ncoc1",-12.166919038806158],["C3=NCCN3",-12.16693957560487],["(CC)C=",-12.16712681492547],["sc(-c3ccncc3)n2)",-12.167150669119565],["=C2C(=N",-12.167214133773337],["CN2CCCC2=O)C1",-12.167341769999416],["c3c(O)nc(N)nc32)",-12.167468858957104],["Oc1cc(O)c(C(=O)C",-12.167634315921552],["c2c(-c3ccsc3)c",-12.16770020118587],["1CCCN2CCCCC12",-12.16822529417101],["C5)c34)c",-12.168284295340762],["c4ccc(O)cc4c23)",-12.16837319178638],["ccc3Cl)nc12",-12.168579626115264],["(N3CC=CCC3)",-12.168686416297003],["n(-c2ccccc2)c1=S",-12.168832946195716],["ccc(N)cc23)cc1",-12.168833310536913],["▁C=C1CC[C@H]2[C@",-12.16884565096787],["▁C[n+]1ccn(COCC",-12.168926690745364],["Cn2ncc3c(N",-12.168953363832896],["O)c1ccnc(-c2cn(C",-12.168955607500529],["▁Cn1c(=O)ccc2c",-12.169004949705958],["▁CCn1cc(NC(=O)NC",-12.16906185997804],["▁COc1c(C)c2c(c(O",-12.169136916565778],["Cc1nc2c(sc3ccc",-12.16923605077478],["c(C#N)c(N)n2)",-12.169239866996486],["C3(O)CCCC3)",-12.169308595251623],["c1c2c(nn1C)C",-12.169316810474816],["▁CC(N/N=C(\\S)N",-12.169387151391147],["c1cnc(Cl)c(Br)c1",-12.169440274441268],["c(N2N=NCC2c2cc",-12.16958965298246],["O)c2C)c(N)n1",-12.16967670882766],["▁COc1cc(C(=N)N)c",-12.169849259696065],["(N3CCNCC3)nc21",-12.16985426164318],["c2ccc(-c3cccc4c3",-12.169947713566392],["1CCN(c2ncnc3sc",-12.170067554178972],["ccc2F)(C(F)F)",-12.170079302091048],["C(=O)N(C)c2ccc(N",-12.17021312089046],["(C)(C)CCC[C@]13C",-12.1703185212687],["c(CN)c2",-12.170375937621383],["CCN(c1ncnc3",-12.170383633455735],["(C)nc2sc3c(c2c1",-12.170412525840426],["N(Cc3ccccn3)C",-12.170452290288935],["[C@H]3[C@H]2CCN3",-12.170482541867871],[")CCC4[C@H](C)CC",-12.170665070792936],["▁N#Cc1c(O)nc(N",-12.170745188523693],["▁CCNc1nc(O",-12.17081344831701],["3C[C@H]4C[C@@H](",-12.17086439400966],["C2CC3CCC(C2)N3C",-12.170870574566148],["c1ccnc(-n2c",-12.171006709915869],["C4CCCNC4)",-12.17104750097232],["▁CC(CS)C(=O)N",-12.171098546666602],["n(C4CC4)c3c2Cl)C",-12.17115627799155],["C(=O)C(O)=C(C",-12.171171387876203],["/C(C)=",-12.171181892538293],["2CCCC1(",-12.171264041464102],["c(C2CC(=O)Oc3cc",-12.17161714739175],["▁CCc1nc2ccccc2c(",-12.17165199597132],["cc2cc3ccccc3nc12",-12.17169308625155],["2CCN(C3CCC3)CC2)",-12.171711436044715],["2CCOCC2)ccc1F",-12.171818978232173],["c2ccc(CC#N)cc2)",-12.171919323101642],["C1(C)CCC2=C(O1)",-12.171985249276254],["c1nc(C)n(CC2CN(C",-12.172130176782506],[")nc(=O)n2",-12.172426949011673],["nc(N2CC3C",-12.17242739276147],["▁CC(CS)C(=O)N1C",-12.172428760125086],["▁C(=N/Nc1nc",-12.172500949000916],["c2ccccc2C2=NCCN2",-12.172546498235976],["(c1ccc(O)c(C)c1)",-12.172550169242427],["cc(Cn2ccnc2)cc1O",-12.172726055340169],["2c(C)cc(C)nc12",-12.172754679404347],["nc3ncnn23)",-12.17277642605764],["▁CC(C)(C)SCCN",-12.172806441032158],["(-c3nc4ccccc4o3)",-12.17296004826624],["c(F)c1)c1nc(-",-12.173308219205706],["ccc1Nc1ncnc2cc",-12.173314883708972],["C1(C)[N+]([O-])=",-12.173335886082938],["CCN(Cc2ccsc2)CC1",-12.17357473196028],["c4ccccc4OC)CC3)",-12.173588956472583],["Nc1nc(=O)n(",-12.173845179008609],["cc(-c3ccco3)n2)",-12.174145363396452],["N(c1ncccn1)",-12.174186072294995],["-c2ncc[nH]2)cc1",-12.174259869461451],["N3CCc4c([nH]c5cc",-12.174275578219229],["CN1C(=O)CS/C1=N/",-12.174452259091057],["cc2c(c1)CC1(C2)C",-12.17460571459389],["c3ccc4occc4c3",-12.174737657007553],["CC[C@]3(C)[C@H]1",-12.17477551430521],["NS(C)(=O)=O)ccc1",-12.174781560621518],["2c(n1)sc1ccccc12",-12.17490201471081],[")N1CCC(c2nc(",-12.17494475276066],["c1c2c(c(C)c3c",-12.1750647643341],["C(O)CN2CCCCC2)",-12.17515211376344],["CSc1nc(O)cc(O)n1",-12.175153126834669],["▁CCCc1cc(O)n2nc(",-12.175389400136822],["NC1=CC(=O)C(N",-12.17555219431344],["▁NC1=N[C@@](c2cc",-12.175625328061958],["C1CCC2C3CCC4=C",-12.175637426410784],["c4ccc(Cl)cc4c3",-12.175671314978352],["C1=NOC2(CCN(",-12.17567392807984],["▁Cc1nnsc1C1=NNC",-12.17576958119705],["(C#N)c(N)nc3c2CC",-12.175831444609605],["c2-c2ccc(OC)cc2)",-12.175874393372148],["CCC/C=C\\C#C",-12.175931945719192],["/C=N/N=C(/N)S",-12.176152311573972],["C2(CCOCC2)",-12.176387784848275],["(Cl)cc(Cl)cc2Cl)",-12.17644279133585],["cc3cccc(O)c3n2)",-12.176445547566251],["cc(C2=NOC3CCCCC",-12.176636724400764],["c1cc(F)c(Cl)cc1",-12.176695256783628],["cc(C)n3n2)",-12.17672062046303],["1([N+](=O)[O-])C",-12.17673873243961],["c(N)nc2c1cc(-c1c",-12.177057447069128],["C2=Nc3cc(F)ccc3N",-12.17707060976428],["c1ccc(-c2ncncc2",-12.177110611204686],["▁Clc1ccc(-n2nn",-12.177160819512745],["CCN2CCC[C@H]2C",-12.17726100996076],["3CCN(C(=O)c4cc",-12.177478144764972],["▁CCOc1ncccc1CN",-12.177756123225642],["c(C3CCCNC3)n",-12.177829696868152],["(-c3cc(OC)c",-12.177880552255186],["@H](O)CC(=O)O2)c",-12.17794376481984],["[C@@H]3CCCCN3",-12.178119192834307],["▁Cc1ccc2cc(CCN",-12.178204270332312],["(NCc3ccccc3)nc(N",-12.17820818800132],["c(Oc3ccc(F)cc3F)",-12.178314816052872],["-c3cccnc3)o2)cc1",-12.178579455972232],["=C\\C=C\\",-12.178771295218423],["c3ccccc3CO2)",-12.178786798360436],["C1=CC2Cc3nc4cccc",-12.17881192779295],["▁CC(CS)C(=O)N(C",-12.178963747681516],["c1c(O)c(C=O)c",-12.179244799372194],["c2cccc(CC)c2",-12.179471596275697],["▁Brc1cccc(OCC",-12.179535172117216],["(-c3ccncc3)ccc12",-12.179678101898968],["n1c(=N)c(C(=O)NC",-12.179757499575476],["C2=NNC(=O)CC2)",-12.179834442973611],["c2cncc(F)c2)",-12.180269137115085],["CCc2c1n",-12.18039807466619],["c(Cc2c(C(F)(F)F)",-12.180450068812062],["CCc2cc(OC)ccc2C1",-12.180451249715356],["n3c(-c4ccccc4)c",-12.180478244780906],["c1cccc2c(O)cc(",-12.180614504492173],["(O)[C@@H]1F",-12.180697157589996],["nc(-c3ccco3)nc2",-12.180707556562009],["2n(c(=O)",-12.180778645482825],["c3c(NC4CCCC4)nc",-12.181068209633352],["Oc1c2ccc(C(=O)NC",-12.18110852802914],["c2)nc2cccnc21",-12.18118615461168],["(C(=O)O)ccn3)n",-12.181196061295068],["c4[nH]ccc34)CC2)",-12.181238967547054],["C(=O)C3CC=CCC",-12.181242604249752],["nc(N)n2)cn1",-12.181322800498176],["C[C@H]2C3=CC",-12.181327119839024],["c1cnc(N2CCCCC2)",-12.18144316734381],["▁C=C(CC)C(=O)c1c",-12.181554610844168],["=C(Cl)C(=O)c2nc",-12.181596550883464],["(O)[C@@H](O)CN1C",-12.18164326397215],["O)C(F)(F)F.O=C1",-12.181679021900676],["c(-n2ccnc2C)",-12.181710475072226],["n1c(N)nc2ccc(",-12.181751216279944],["Cc1cc(=O)n2nc(NC",-12.181879756018956],["CCc1c[nH]cn1)NCC",-12.181900186036874],["▁c1ccc(-n2nnnc2",-12.18191109510015],["1CC=C(C)CC1",-12.182031177844744],["C1(C)CC(=O)c2c(n",-12.182361211277469],["1Cc2nccn2CC(C",-12.182469116927791],["=O)c(OC)c(-c3cc",-12.182472458746895],["ncn2)C[C@@H]1",-12.182601582069491],["[C@@H]1C2(C)C)C",-12.182635768785197],["c2cc(F)c(O)c",-12.182712566091311],["2CCN(c3ncnc4sc",-12.182741500458542],["(=O)c3ccccc3)cn2",-12.182854991461369],["H](O)C[C@@H]1C",-12.183056128818828],["/C(C)=N/NC(=S)N",-12.18308383980673],["3nc4ccccc4n3c2c1",-12.183260556613275],["c2ccc(C)cc2c1N",-12.183357236755064],["c(N2CCOCC2)c(",-12.183440359450731],["c34)CC2)",-12.183559079808852],["c1cnc(N(C)C)nc1",-12.18356227410738],["▁N#Cc1c(N2CC",-12.18378391343888],["n1c(N)nc2ccccc21",-12.184067698509953],["(C)C)cc4)",-12.184268444581354],["▁CCCn1nnnc1NC",-12.184330038082347],["(C(=O)O)n[nH]c3",-12.184401520308588],["Nc2cc3nc(O)cc(C",-12.184436072920086],["(F)cc(F)c2F)nc1",-12.184472725852112],["▁Clc1cc2nc(",-12.18450689047258],["1)[C@@H]2N",-12.18463921930755],["(Cl)c(O)c(Cl)c2)",-12.18473634119448],["c(=O)c3ccccc3n2C",-12.18485934978407],["▁CC/N=C1\\SC(C",-12.185063974019672],["cccc2c1CCC(=O)N2",-12.185267305808964],["CCNC(=S)S",-12.185291583166087],["-c1nnc(S)n1",-12.185470906515226],["3c(cn2)[nH]c2ccc",-12.185502132613657],["C[C@]3(C)C(=O)CC",-12.185697836934049],["▁Cc1nc2sc(C(",-12.185884527839091],["c1ccc(Cn2cncc2CN",-12.185892103578546],["nc2c(Cl)cccc2s1",-12.185975473402785],["/C=N/NC(=N)N)c1",-12.18615433908619],["cc3[C@@]1(C)CCN2",-12.186295354323088],["CCSC(c1ccccc1)",-12.186303661118934],["(F)(F)F)c3cc2",-12.186331489590929],["n2c(cc3ccc",-12.186378564027669],["/C=C/C(C)=C/C=C/",-12.186431325760053],["n(-c3ccccn3)c2",-12.186443719056603],["CC/N=c1/",-12.18655145619536],["▁O/N=c1\\cc(-c2c",-12.18673316183932],["2ccc(F)cc2)n1",-12.186879588605969],["(O)c3)c2c1",-12.187309283494807],["(S(N)(=O)=O)ccc1",-12.18750196053958],["=C(N2CCCCC2)",-12.187514170943016],["CCn1nc(C2CCN",-12.187937803054478],["c4cc(C#N)ccc4",-12.18795301089162],["▁CC(O)(C#Cc1c",-12.188219279756575],["C(=O)C(C)CS)",-12.188235231476858],["Nc2ncc(F)c(N",-12.188287800849992],["c1cn(CCOc2ccccc2",-12.188304891500696],["(C)Cc1c[nH]c(CC",-12.188385531846908],["▁Cc1ccnn1CC",-12.188560517946945],["CCN2CCCCC2C1",-12.188697497842078],["(c3ccccc3)O2)C1",-12.188699641609915],["n(c23)CC1C",-12.188712816564514],["n1cc(Br)c(C(=O)N",-12.188774952733493],["c(C(=O)N4CCCCC4)",-12.188956836725575],["ccc1-n1nnnc1SC",-12.189189813471796],["▁O=NN(CC",-12.189331591714726],["Nc2nc(N)c(C(=O)",-12.189456833263126],["C1(N)CCN(c2nc",-12.189585757694491],["ccc3C([n+]3c",-12.18959977659991],["c(/N=c2\\ssnc2Cl)",-12.18963056984538],["(NC3=NCCN3)cc2)c",-12.189661196216424],[")-c1cc2c(cc1C",-12.18970300466421],["c2ccc(C(C)C)cc2",-12.189748406282638],["▁[N-]=[N+]=",-12.18976418534364],["c1n[nH]c(N)n1",-12.190162981201672],["c(OC)cc2OC)",-12.190456850144596],["c(C)n(C)c2",-12.19051029005967],["3)CCNC4=O)cccc2",-12.190598538506894],["2CCCC2)nc2c1c",-12.19070975896336],["N2CCOCC2)nc2c1c",-12.190754815305546],["3cc(C)ccc3nc2",-12.190969520826618],["c1nn[nH]c1",-12.19097667896365],["Oc2c(Cl)cc(",-12.190994175481343],["4cc(O)ccc4[nH]3)",-12.191019775902872],["NCC(O)CON=",-12.191156711879255],["C1CC2CCC(C1)N2",-12.19125768185403],["c1ccc(F)c(-c2cc",-12.191263949714084],["/C=C\\n1cnc(-c2c",-12.19127432929457],["▁CC1CCN(C(=S)",-12.19128553467095],["▁O=C(NCCCCCCN",-12.19129203831377],["l)c(Cl)cc2[nH]1)",-12.19142370244992],["cc2c(=O)n1NC(=O)",-12.191654477022023],["1(c2ccccc2)CCN(C",-12.191711306323509],["4CCCCC4)c3",-12.191872089918116],["nnn4",-12.192048109043505],["c3ccc4c(cnn4C",-12.192197827913112],["▁Oc1ccccc1N1CCN(",-12.192320520276832],["c1c(C#N)c(-c2ccc",-12.192402844294174],["C2CC2)nc2c1nnn2C",-12.19251840500457],["c1cc3ccccc3cc1",-12.192550889224362],["NCCO2)ccc1Nc1ncc",-12.192551822817997],["c1cc(-c2cccnc2)c",-12.192729631957524],["OCC2CCCCC2)C(",-12.1928048253479],["▁N=C(N)c1ccc2oc(",-12.192849361226347],["N/N=C\\c1ccc(O",-12.19288077726261],["(O)c(C(C)=O)c(OC",-12.192933417254167],["c3c(OC)ccc(OC)c3",-12.193100386221396],["1C(=O)O[C@@H]2C3",-12.193144832756722],["NC(=O)CSc2nc(O)c",-12.193202529993496],["c3cscn3)CC2)",-12.193421421457751],["[C@]2(C)[C@@]12C",-12.193634013791389],["Cn1ncc2c(",-12.193928671847775],["c(C)c3C)CC2)",-12.194071614303883],["▁[O-]/[N+](",-12.194224461141726],["▁CNc1cc(C)nc(",-12.194298556528326],["(F)cc4[nH]3)",-12.194649207991588],["(CN3CCOCC3)c(O)c",-12.19467959691025],["3ccccc23)CC1",-12.194692063038364],["c1c2c(c(O)c3",-12.194710677670573],["▁Oc1cccc2ccc(",-12.19479532058281],["N2C[C@H](C3CC",-12.194901926089882],["Nc1nc2nonc2nc1N",-12.19505625893714],["ccc1-c1nnc(SC",-12.19513394974058],["(OC)c(O)c(OC)c2)",-12.19538580350265],["▁CC1(C)OC(/C=C/",-12.195541876453316],["Sc1ncccn1)",-12.195702803973507],["CCCN1CCC2(CC",-12.195840562308362],["c(C3=CCCCC3)",-12.195886562452763],["/C(C)=C\\C=C\\",-12.196184072979138],["(c3ccc(F)cc3)CN",-12.196299881392315],["P(=S)(OC)O",-12.19630536908709],["c(cn2)cnn3-c2ccc",-12.196495148999738],["c(-n2cnc(Cl)c2",-12.196563702988982],["cc2)oc2cc(OCC",-12.196576183501604],["cc(C2=CCN(CC",-12.196743171568269],[")N1CCCC2c3ccc",-12.197038683002583],["3ccccc3[nH]1)",-12.197039198510115],["-c2nc(N)nc(O)c2",-12.197117766678724],["▁O=C(O)C[C@@H]1C",-12.197444726098832],["@H](O)[C@@H]2F)",-12.1974781093178],["(c3ccc(Cl)cc3)=N",-12.19748416765314],["-c1cccc(COc2ccc(",-12.197676885396714],["▁Cc1ccc2n(c1)cc(",-12.19775656607398],["C2Nc3ccccc3-c3cc",-12.197842517151342],["c2[nH]c(O)nc2",-12.197982430046553],["c2ccc3cn[nH]c3c",-12.198092711183811],["c1ccc(N2C(=O)C3C",-12.198126634302644],["C(=O)/C=C/c1cccc",-12.198478455317744],["2ccccc2n2cnnc12",-12.198685283896252],["(C(=O)N(C)C)cc2)",-12.198720126685],["(=O)CC(=O)C(=O)N",-12.198842977122109],["(Cl)c2c(c1)OCO2",-12.198899407548408],["C1CCN(c2nc3c(cc2",-12.19912316394834],["n1c(C2CC2)n",-12.199296850581234],["c(S(=O)(=O)NC2CC",-12.199716739571356],["c2ccc(F)c([C@]3",-12.19976571121211],["C1CN(C)CCC1",-12.19984480977013],["CSc1cc(C)",-12.19992072285896],["N(C2CCCC2)C1=O",-12.19992402513132],["2CC3(CCNCC3)",-12.20001855084919],["C2=NC(=O)C(C",-12.200253373339413],["c2ccc(N3CCN(C",-12.200327543131118],["Cc1ccc(-c2cnccc2",-12.20034625678568],["c(NC(=O)c4cccs4)",-12.200350188598916],["c(F)cc1C1CC1CNC",-12.200415649588924],["n2nc(C)nc2",-12.200472294249035],["▁CCOc1ccc2[nH]c3",-12.200509044085404],["cc2)CN2CCCCC2CO1",-12.200562516013532],["c2c(N)sc3c2CCC",-12.20059050921498],["Cn2c3ccc",-12.200616442700031],["(F)F)c(C2CC2)cn1",-12.200685776265916],["(NCCCCN)",-12.20078354030356],["CC(S)C",-12.200983655953353],["cnc(N)nc2)c(F)c1",-12.201211612595294],["cc-3oc2c1",-12.201368856398284],["▁CC(C)(CCCOc1ccc",-12.20147277985233],["ccc(F)cc13)-c1cc",-12.201514772497037],["▁Cc1cc(=O)n2n",-12.20167268725712],["N(C(=O)C2CC2)C",-12.201753810094331],["CNCCCCCCCNC",-12.201759244720664],["(-c4cc5ccccc5o4)",-12.2019151827154],["cc3c(=O)c2cc1",-12.201941681891933],["c3nc4c(F)c",-12.201951146211986],["C[C@H](C(=C)C)",-12.202095039882106],["nc(C3(c4ccc(-c5c",-12.20210714344292],["C1COC2(CCN(C(=O)",-12.202132876496504],["c(Cl)c3)oc2c1",-12.202359429598292],["nnc2-c2cnccn2)",-12.20240284079826],["c(NC(=O)C3CC3)n",-12.202468182287843],["▁C/N=C(\\S)n1n",-12.202731804725763],["c(-c5cnn(C)c5)",-12.202765630846278],["N1C[C@H]2[C@@H](",-12.202767610670778],["c(-n2nncc2-c2ccc",-12.202787971719768],["nc(N)[nH]c(=O)c2",-12.202790498544768],["c(C)c(O)c(C)c3",-12.202871452398592],["CCC(CC(=O)C(=O)",-12.202960485307834],["=C(c4cccnc4)[C@",-12.20296310701024],["C2C3=C(O)CCCC3=N",-12.20299486357382],["ccc2S1)c1ccnc(NC",-12.202994867261197],["/C(Cl)=N\\OC(=O)N",-12.202995078184234],["nn(C5CCNCC5)c4)c",-12.202995175270608],["C[N+]2([O-])CC",-12.20299551515412],["3nc(O)c(O)nc3cc2",-12.202995720680288],["cc4c(cc23)OCCO4)",-12.20299591193001],["c1nc2c(N)nc3cc(C",-12.202996414867927],["4c(C)cc(=O)oc4c3",-12.202996723907455],["c1ccc2n[se]nc2c1",-12.202997624466631],["N1CC1)N1CC1",-12.203005126573483],["Nc1ccc2nnn3c4ccc",-12.203011100253727],["c2nc3cscc3[nH]2)",-12.203012180877476],["(-c4nnn[nH]4)c3C",-12.2030160203646],["cccc1C1CN=NC12C",-12.203017661679354],["▁O=C1C2C(C(=O)N1",-12.203019102922037],["c(cc2c1)C=NN=C(N",-12.203022348949066],["1(c2cccs2)CCOCC1",-12.203041322897423],["c3nc(C)cc(C)n23)",-12.203042631314844],["n1cc(C2CC2)nn1",-12.203049250292043],["c4c(n(c5ccccc45)",-12.203050183448935],["C(O)(c1nc2cc(C",-12.203051134587064],["Oc1noc2c1CNCC2",-12.203052549577606],["▁CN1C2CCC1CC(=NO",-12.203057536081486],["COc2ccc(Cl)c1c2",-12.20307197240954],["C(C2)N(C)CCC314",-12.203072678212168],["c(OS(=O)(=O)c2cc",-12.203076143187351],["@H]2C[C@]3(C)C(C",-12.203127563196055],["▁CC(C)(C)C1CSC(",-12.20313149966026],["c2cc(F)cc3c2OC",-12.203223149666512],["Cc1occc(=O)c1O",-12.203245512631684],["OC(=O)c1c(C)oc2c",-12.203257062106156],["c(cn4C)C[C@H]21",-12.203271011721585],["n1cc2c(n1)CCCCC2",-12.203281749804772],["cc3[nH]ncc3c2s1",-12.203314969588806],["C2)N(CC1CC1)CC3",-12.203355961848674],["c(-c3nc(C)no3)",-12.203364682453763],["Nc2ccc(Oc3nccnc3",-12.203373672489054],["c2ccc(O)c(CN)c2",-12.203426805859127],["cc4cccc(c34)O2)",-12.20344725678949],["c1noc2c1CN(C(=O)",-12.203449140412753],["▁CSC1=C(C#N)C(",-12.203492612203986],["c3nnc4n3CCCCCC4)",-12.203515389180636],["(-c5ccc(Cl)cc5)",-12.203545970683493],["H](O)[C@@H]2O)c1",-12.20354715526119],["c(-c2ccccn2)c(N",-12.20355304474138],["[C@@](c2ccccc2)(",-12.203564450580323],["c(=O)c3ccccc3n(C",-12.203590384868043],["=O)c2c(nc3n2CCN3",-12.203620762871338],["c1c(N)sc2c1CC",-12.203694942451977],["-c3ccncc3)ccc2c1",-12.203838729586398],["n2c(n1)OC[C@H](",-12.20385192716795],["C3CCC3)nc2)cc1",-12.20388983594615],["c(O)c2c[nH]nc2n1",-12.20394009661742],["c3c(c2cc1OC)C",-12.20394210181831],["▁O=C1C2=C(CCCC2)",-12.203994323646516],["1CCC2(CCCN(C",-12.204043429172629],["C[C@H]3N(C)CC2",-12.204083633220002],["2CCN(C(c3ccccc3)",-12.204122196264498],["CCCN4)cc3)",-12.204251878347826],["CCNC1)c1ccnc2",-12.204254894448908],["C(=O)c2csnn2)c1",-12.204336429713535],["c1c(F)cc(Br)cc1",-12.20438218728518],["▁Cc1cn(C/C=C\\C",-12.204392213847536],["C1C2CC[C@@]2(C)C",-12.204424566324544],["OP(=O)(O)O[C@H]3",-12.20444219732893],["C3CS(=O)(=O)CC3",-12.20445357544887],["c1ccc2c(c1O)-c1c",-12.20447918323698],["CCCC/C=C/CCCCCCC",-12.204510774594684],["3NCCC[C@H]32)cc1",-12.204522672070922],["cc3c(n2)NCCC3)",-12.204548083464893],["nnc(-c2ccccn2)s1",-12.20460332733114],["C1=C(C(=O)OC1)",-12.204672119431802],["▁COCc1cc(C)nc2sc",-12.20472832146056],["nc(/N=C(\\N)NCC",-12.204877843349752],["2CC3CC(C2)",-12.20494504066844],["c2nc3cccnc3n2C",-12.204994097768108],["▁Oc1cc2c(cc1Cl)C",-12.205166096238552],["c(COC(N)=O)c3n2C",-12.205182443390475],["=N[C@@H]2[C@",-12.205184701288006],["N2C(=O)NC3(CCCCC",-12.205330546054656],["Cc1nnc2sc(-c3cc",-12.205355678950276],["nc2c(C)cccc2c1N",-12.20536041527139],["(C4CC4)n[nH]3)",-12.205392624478169],["▁O=c1c2cc(OCCC",-12.205394129471191],["c(-c3cccnc3)no2)",-12.205491804383511],["c4ccc(C)cc4c3",-12.205543450073703],["(CC(=O)O)C(=O)CF",-12.205606915102871],[")(Oc1ccccc1)O",-12.205661460109186],["e]",-12.205707973057358],["c3cccc(C(C)=O)c3",-12.20584000854502],["-c2ccc3ncnn3c2)",-12.206050766496054],["cc(C[n+]2csc(C",-12.206088625333322],["▁CC1=NN(C(N)=",-12.206364835167856],["3)[C@H]2C1=O",-12.20639401968934],["C2(CC(=O)NC2=O)",-12.206470654139371],["c1nc(O)c2c(ncn2C",-12.206535119192482],["C1CC2c3ccccc3C1",-12.206726075678231],["c3c(F)cc(F)cc3F)",-12.206849646483962],["c3cc4cccnc4cc3F)",-12.206870026896858],["c(S(=O)(=O)N2CCS",-12.206902776781922],["cc(O)c1-",-12.206911441327136],["OC(N)=C(C#N)C3",-12.206940996819124],["N2CC(c3nc(-c4ccc",-12.206945616822305],["C(C)Sc1nc(O)cc(C",-12.206988519632992],["ccc1-c1cncnc1NC",-12.207057452671188],["3ccc(C)cc3n2)",-12.207062984584674],["C[C@@]5(",-12.20707689874968],["CN1CC[C@H](O)C1)",-12.207138923576746],["(NC(=O)CN)",-12.207198356533716],["[C@@]43C)C1CC=C2",-12.20720409856274],["Cn1c(N)n",-12.207238474357862],["n2cc(Br)cn2)",-12.20730116565754],["C(=O)N1CCSC1)C",-12.207372398444884],["c3c(c(O)c12)",-12.207433323576332],["▁Cc1csc(N2CCCN(",-12.20749839492079],["[nH]c(C)cc(=NN=C",-12.20750483292376],["(O)c3nccnc3c2O)C",-12.2076132760239],["C3CCCCC23)cc1OC",-12.207920207793396],["▁COC(=O)C1=C(N)O",-12.20792957980519],[")Nc1nnc(C2CC2)s1",-12.207940486279837],["=C(O)/C=C\\C(=O)O",-12.208042196819084],["[n+](CCCC(=O)O)",-12.208086897896465],["(COCCO)",-12.20828605636045],["▁O=c1[nH]sc2c",-12.208359181490122],["C(O)=C(C(C)=O)C1",-12.208430392000626],["c3nn4c",-12.20852055028545],["▁O=C(O)c1ccncc1N",-12.20863004694958],["Oc1cc2c(C)nc(O)c",-12.20864238745363],["C)c2nc(O)c(CCN",-12.208814809183506],["=c1/",-12.208843731026104],["(-c3cccc(O)c3)n",-12.208894155090396],["n2c(=O)cnc3cnc",-12.208986169887975],["1CCc2c(c(=O)oc3c",-12.209130381525462],["P(=O)([O-])C",-12.209183667347034],["Cn1c2ccncc2c2cc(",-12.209228412564675],["c4nc5ccccc5s4)",-12.209237221844166],["n(-c2ccccc2)c1N",-12.20925207555659],["=C(\\O)OCC",-12.20925260367804],["nc3sc4c(c23)CCC",-12.209280300643655],["O[C@](C)(C",-12.209304822680178],["1CC(N)C(",-12.209634716647912],["(Nc3cccc(Cl)c3)n",-12.209635396062628],["cncc3C2)",-12.210327208167875],["n1c(=S)[nH]c2cc(",-12.210435889321197],["1CCCN(C)C1",-12.210500785638024],["-c2ccc(O)c(CNC",-12.21058556870036],["c4ccc5ccccc5c4",-12.210702455231893],["c1cc2cc3c(cc2n1C",-12.210714435175632],["c3c2c2ccccc2n3C",-12.210880565097805],["CCn1s",-12.210936500107092],["c4ccc(C(N)=O)cc4",-12.21104403107164],["cc(C(N)=O)nc3c2)",-12.211087529051149],["C2C3C=CC(CC3)C2",-12.21164711069435],["CC1CN(C)C(=S)c2c",-12.211667351277796],["C2=NOCc3ccccc32)",-12.211942788994198],["▁Cc1cc(-c2c(F)cc",-12.212041966370869],["-c2ccnc3[nH]c",-12.212057253316488],["Cc1ccc(Cl)cc1)SC",-12.212293847597522],["C2C=CC1C2",-12.21235385764183],["(F)cc(C#N)c3)cc2",-12.212428335369152],["Oc1ccc2c(=NN=C",-12.212482257795475],["c3c(ccc(=O)n3C",-12.212517810374894],["c(C)nnc2SCC(=O)N",-12.212564079650146],["Cn2c1cc1cc",-12.21257092281471],["(Cc3cccc(C(=O)O)",-12.212636982947542],["▁CCC(Cc1ccccc1)N",-12.212765491416643],["ccc(Cl)c3)no2)C",-12.212776681825078],["nc1n2[C@@H](CN",-12.21304250571721],["O/N=C1\\c2ccccc2-",-12.213070344842995],["nc3ncnn3c2",-12.213601505319662],["▁CN(C)c1ccc2c(c",-12.213613583081123],["/C=C2\\Oc3ccccc3",-12.213623702080492],["c1ccc(C(=C2C",-12.213638263949532],["c2cc(Br)c(O)cc2",-12.213678630899745],["(C(=O)O)ccn3)c",-12.213796532675463],["▁O/N=C\\c1c",-12.213874717877385],["-c3cn[nH]c3)cnc2",-12.21391148993408],["4ccnc(N)c34)c",-12.213924188906445],["C(=O)CSc2nccn2C)",-12.213928225421457],["C(=O)OC1CC2CC",-12.213961525701643],["c1c(O)ccc(C(=O)",-12.21402284660227],["▁CC1(C)C2CC=C(",-12.214078769115314],["(cn1)sc1ccccc12",-12.214085143450667],["nnc(-c2ccco2)s1",-12.214105354576445],["C(=O)N1CSC[C@H]1",-12.214192071778548],["sc1-c1nnc(",-12.214285819991956],["c1)C1CN(C)CCC1N2",-12.21442507316564],["c2cc(C(C)C)on2)",-12.214623428891064],["CN(Cc2nccn2C)CC1",-12.214860946394122],["nnc(N3CCC(",-12.214911726083672],["[n+]2ccc3c(",-12.21491544404963],["3CCCCC3)sc2c1",-12.2152061389856],["(C2C(C#N)=C(N)N(",-12.215367798472307],["C#N)cc(C)c1",-12.215371618962385],["OCC2)oc2c(-c3ccc",-12.215812434607429],["c3nnc[nH]3)",-12.21593537079568],["nc(N)c3c2C)c1",-12.21601351375924],["(CN2CCSCC2)c",-12.21605615560018],["c(C2CC(=O)c3c(",-12.216060647675596],["H]2OCC[C@H]2N(C",-12.21606449006849],["c1ccnc(-c2cn(CC",-12.216116110118175],["c1nc(N)c(C#N)c(",-12.216209859866249],["▁COc1cc2nc3c(c",-12.216306484548095],["▁Cc1n[nH]c(=O)n1",-12.216421198313146],["O[C@@H](O[C@@H]3",-12.21642819701266],["C(=O)c4cccs4)c",-12.216481505053489],["C(Cc2ccccc2)n2cc",-12.216549261436782],["(-c2cscc2-c2ccc",-12.216676429763066],["c1cc(C)n(/C(=N\\",-12.21669005606172],["(-c3ccccn3)n",-12.216720267120952],["NC2=NC(N)=NC",-12.216775838772074],["CC3)Oc3ccccc32)c",-12.216912916263365],["ncccc2F)ncn2nc(",-12.216995097507912],["cc1-c1cc2c(N",-12.217015829894214],["C(=O)c2ccccc2OC1",-12.217086078654688],["c(Cn3cc(C(=O)O)",-12.217115929451769],["▁CCOc1cc(C)nc(",-12.21734583068755],["C3CCOC3)CC2)",-12.21741504431768],["(Cl)nc2[nH]cnc12",-12.217551344400896],["CC2(CCCN2C",-12.217612579606108],["c4cn[nH]c4",-12.217775566844704],["cc(OC)cc3OC)",-12.21793339057835],["C(c1ccco1)c1c",-12.217961738834411],["(C)C(=O)N3C)cc1",-12.218031944882236],["Nc2cc(N[C@@H]3CC",-12.21811019325876],["P(=O)(O)O)o2)c(C",-12.218213594610196],["n2nnc(-c3ccccc3)",-12.21825417755052],["c1ccc(-c2nnc(O)",-12.218254450111864],["cnc(N5CC",-12.218255005220858],["n2c(N)c(C#N)",-12.218280485357363],["CC1(C(=O)O)CCCN(",-12.218392297717164],["N(Cl)Cl",-12.218418214027173],["▁NC(=S)Nc1cccc(O",-12.218439083526691],["▁C#CCNC1CCc2c(OC",-12.21844618688282],["c1cc(=O)n2c(n1)",-12.218490381165068],["c(OCc2ccccc2)c",-12.21849258996744],["cc2)c(C(=O)O)n1",-12.218506877897791],["▁COc1cccc(N2CC(N",-12.218557230964937],["c3ncnc(N4CCC",-12.218774607004814],[")C=C2)",-12.218926687541718],["c2n(C2CCCC2)c1=",-12.21900665861716],["CN3CCC2CC3)on1",-12.219165414628886],["c(N4CCNCC4)nc3",-12.219235814551409],["c2c([n+]1[O-])C",-12.219330860683872],["cc3)c1C2",-12.219574830537937],["CCCC1=C(O)C(=O)C",-12.21957888281841],["/C(=N/NC(=N)N)",-12.219625259690202],["cc(-n3cccn3)n2)",-12.219628189300098],["(Nc3ccc(Cl)cc3)n",-12.21964955141917],["ccc(c34)C2=O)",-12.219755157202558],["c(=O)c2c1nc1n2CC",-12.219766516149395],["cc(OC(=O)N(C)CCC",-12.219771156517735],["-n2c(-c3ccccc3)n",-12.219875432053607],["N1CCN(C(=S)SC",-12.219901361638271],["NC2CCc3nc(C",-12.219911141886875],["COc2ccc(Cl)cc2C)",-12.220049921174011],["▁CNc1nn2c(C)c",-12.22008456435597],["(-c3cccc(OC)c3)n",-12.2203400445991],["c4cccc(C#N)c4)",-12.220414480824708],["c(-c4ccccc4OC)",-12.220453238314937],["c1nc(Cn2c",-12.220604117018812],["c(C)cc32)c1",-12.220617354460916],["(ccc[n+]3[O-])c2",-12.22074460763525],["c2c(c1C#N)CCCC2",-12.221084216265648],["c4)nn23)",-12.221104525359538],["c4cccnc4)cc3",-12.221110633824344],["2cccnc2n1",-12.221351462068563],["/C=C1/CC1(CO)C",-12.221442698091904],["C(Sc1n",-12.221481988234414],["cc(F)cc3)no2)CC1",-12.221586498505808],["c(F)c(Cl)c3)c2c1",-12.221682049970546],["CN2CCN(c3ccccc3O",-12.221927059428983],["▁Cn1ncc2c(N3CC",-12.221986813984426],["@]23c4cc5c(cc4",-12.22209355174955],["c1OC)CCc1c",-12.222238102163628],["c2ccc3nonc3c2",-12.222542013596067],["CCc1ccccc1)c1cc",-12.222626862269223],["[C@H]1NC[C@@H](O",-12.222813119201348],["O)/C=C\\C(=O)O.",-12.222980819195424],["▁CC1(N)C",-12.223034595067224],["CCCCC(C)(C)CO",-12.223281657633834],["▁C/C(=N\\N=C1/SC",-12.223294582683115],["(F)cc3)nn12",-12.223453619956622],["(-c4ccccc4)ccc3",-12.223547231814637],["(Cl)c(N)c(Cl)",-12.223553867324272],[")[C@@](O)(CO)C3",-12.223657132039476],["c2ccccc2c1CNC",-12.223848514879828],["c2ccccc2Sc2ccc(",-12.223850457805645],["▁CO[C@H]1CC[C@]",-12.223933533405171],["1CCC3)CCCC2",-12.224080668684437],["c2sc3ccc(OC)cc3",-12.22412617393842],["CC#CCN1CC",-12.22418262638854],["c2cc(CO)ccc2",-12.22440655712973],["cc(-n2cnc3c",-12.224589078301282],["c2ccc(-c3coc",-12.224773801997364],["CC(c2ccccc2)=NO1",-12.224792065489222],["CC(c2ccco2)N2CC",-12.22487736725852],["(OC)c(OC)cc23)c1",-12.225102572630703],["C(C(=O)[O-])=C(S",-12.225215167869866],["c1nccn1CC(O)CN",-12.22527182866526],["C(=O)S[C@H](C",-12.22540326944152],["CCN/C=C1\\C(=O)N",-12.225502426341652],["c2ccc(-c3noc(",-12.225632535471464],["=C2c3ccccc3CC",-12.225638571746533],["▁C=C1CCCC(C)(C)",-12.22564201435592],["(C2=NCCO2)",-12.225687480520406],["c5c(c3",-12.225899857500252],["n24)CCC3)",-12.225930018931145],["-c2cnc3cnc(-c4cc",-12.22596077385414],["1C#N)CC(C)(C)OC2",-12.225964509907891],["C(c2ccccc2F)=N",-12.2259767804311],["c1cccc(OCC(O)CN",-12.226009563525697],["=O)n3ccccc3nc2s1",-12.226013277800975],["▁NC[C@H]1O[C@H](",-12.226168041745796],["(N2CCCCC2)ncn1",-12.226267287137826],["c3c(C(=O)O)cccc3",-12.226508917464034],["N(c1ccc(C#N)",-12.226685079006677],["(C(CN2CCNCC2)",-12.226739693213451],["[nH]c2cnc(-c3cnc",-12.226939694641338],["(-c2cnc3[nH]ccc3",-12.227170719141704],["▁CC1CC1C(=O)OC",-12.22750879674577],["C1(c2cccc(O)c2)",-12.22757530905843],["CN2C(=O)C3CCCN3",-12.227756739688324],["(=O)Nc1ccc2nc(SC",-12.22777011942908],["c1cc(NCc2cccnc2)",-12.227882377506887],["C2C3=C(CCCC3=O)",-12.227917120956928],["▁C/N=C(/N)Nc1ccc",-12.228040409871808],["n3cc(Cl)ccc3n2)",-12.228106769515456],["2CCNC2)c1",-12.22830976350747],["nc(-c3ccc(Br)o3)",-12.228550292380149],["(C(=O)Nc4cccnc4)",-12.228576321657416],["Cn2nnc(-c3ccccc3",-12.22879015775982],["C(=O)NCC1OCC",-12.228977190294945],["n1ccc(-c2ccc(O",-12.229087504468662],["c2-3)c1",-12.229151952831806],["2CN3CC[C@H]2C3)",-12.229396373945857],["▁C/C(=N\\N=C(/S)",-12.229441997517233],["2c1ccc1ccccc12",-12.229448726539076],["ccc1-c1ccc(-",-12.229589637685857],["3cccnc3c2",-12.229617314859864],["CSc2nc(C)cc(C)",-12.229645455955351],["▁N#Cc1ccc(Cn2cnc",-12.229858116455537],["c(CCCO)n",-12.229940205464644],[")nn3C",-12.23016261415306],["c(N4CCOCC4)nc3)",-12.230380091460132],["C12CC3CC(CC(C3)",-12.230507434254662],["c1)nn2C1C",-12.23068474521446],["n1cc(Cl)nc(Nc2c",-12.230693967560835],["c2cccc(OC(C)C)c2",-12.230715868529645],["▁N#CC1=C(N)N(",-12.230795013235836],["(OC)c(O)c(OC)c3",-12.230886208634669],["C(C3CC3)C3CC3)",-12.231032899013943],["(C3CCN(C4C",-12.231095358748629],["C3CCCCN3C",-12.231186223838831],["2c3ccccc3nc-2c",-12.231561060460807],["C4CC4)nn23)c",-12.23193126438438],["N2CCC(c3noc",-12.231998940431776],["N(C[C@H]1CCCN1)",-12.232105328880309],["[C@@H](F)C2)",-12.23214356386559],["NC1=NC(=O)C(C)(",-12.232149937233574],["2CCC(c3nc4ccccc4",-12.232338244334253],["2cnc3c2NC=NCC3O)",-12.232427023527327],["3sc4c(c23)CCCC4)",-12.232895254263951],["2cc(C)ccc2n1",-12.2329059213501],["CSC(=S)N1CCCC1",-12.23321327307347],["C)OC(N)=C(C#N)",-12.233381253744788],["c(CNC3CCCCC3)c",-12.233427725344368],["2CCC(C(C)(C)C)CC",-12.233454952825092],["n1c-2",-12.233607624389716],["O[C@H]1CNC",-12.233610006459902],["3cccc(O)c3n2)cc1",-12.233855254570626],["P(=O)(NC(C)C)O",-12.233885935316508],["CC(C)n1c(CC)nc2c",-12.234102017685249],["c3cccc(c32)CN1C",-12.234434703800584],["3c(c2)N(C(C)=O)C",-12.2346997525993],["c(N4CCOCC4)oc3c",-12.23502762601638],["oc2ccc3c(c12)C",-12.235349174026968],["CCN2C(=O)CSC2=O)",-12.23540381216439],["▁Cc1nn(C)c2ncc(",-12.23540872278488],["[N+]2(CCCC2)CC1)",-12.235465900709649],["CNc1nc(C#N)",-12.23548809177882],["nc1NN1C(=O)C=C",-12.235709065306844],["2CCCCC2)ccc1Cl",-12.23577116081411],["c(O)c2c3c(sc2n1)",-12.235971208277835],["c([C@@H]3C[C@H]3",-12.236006828471048],["c2ccc(CO)o2)",-12.236027719956416],["c1ccc(CNc2ccnc(-",-12.236109667001244],["[N+]1=",-12.236133827457994],["c(C=O)c(O)c(OC)c",-12.236147589313754],["/C=C/[C@@H]2C[C@",-12.236170748876456],["ccc2c(c1)B(O)OC2",-12.236182038752252],["(C)(C)C(=O)C2(C)",-12.236388944128215],["▁COc1cc(CC(C)N)c",-12.236477341648884],["[C@H]3[C@H](CCN3",-12.236693395923936],["ccc(O)c4",-12.236698060027988],["C(=O)O)N[C@H]1",-12.236779242115826],["3CCN(CCO)CC3)",-12.236876037055357],["CCCCC)OC(=O)",-12.23689126099901],["Sc1nc2c(cc1C#N)C",-12.23710208189338],["[As](=O)(O)O)cc1",-12.23723522737867],["C2C3CCC(C",-12.237255596136658],["C2(CCCNC2)C1",-12.237365879655384],["NC3(CCCC3)C2=O)",-12.237421037137576],["c1ccc(-c2n[nH]c(",-12.23742796884939],["C(C#CC2CC2)(",-12.237428318528972],["/C(=C/c2cc(C)n(",-12.237489645968974],["[C@@]12CCC(=O)C",-12.237498604269945],["Sc1nnc2c(n1)OC(",-12.23787007955984],["-c1cc2cnc(NC(=O)",-12.23791962410546],["cc1-n1ccnc1",-12.23796475352113],["(OCCCc2c[nH]cn2)",-12.238305592174038],["=C1NCCCN1",-12.23831359335298],["c(NC2=NCCCS2)c",-12.238339978635748],["NC1CCOc2ccccc21",-12.238514396558427],["CCn1nc2c3c(",-12.2387569303847],["/N=c1\\sccn1C",-12.238808169641544],["(-c2ccccc2)csc1N",-12.23916183348397],["C(=O)c2cccnc2SC)",-12.239174075426387],["[C@@]31CCN(C",-12.239192399767589],["c4cc[nH]n4)",-12.239286252460328],["c1[nH]nc(C2CC2)",-12.239405729874022],["2ccncc2c(C)c2c1",-12.23954421084051],["c(-c2cncnc2",-12.2395762496321],["c2ccc3cc4n(c3c2)",-12.239767296147775],["c1nc2c(c(N3CC",-12.239819329482918],[")cc(O)c3c2=O)cc1",-12.239861213719312],["2C(C)CCCC2C)",-12.239901573732944],["c3c(c2)OCCO3)cs1",-12.239925028937732],["[C@@](N)(C",-12.239949518169563],["CSc2nccn2-c2ccc",-12.240050330938203],["c(C)nn2C)",-12.240138608214018],["/C(C)=C/CC[C@",-12.240324244722403],["c(Cl)cc(C(N)=O)",-12.240333485431712],["c2cnn(C(C)C)c2",-12.240554282996166],["▁CC(C)(C)n1ncc(O",-12.240590171535375],["N2CCCC3c4ccccc4C",-12.24070260626072],["C[C@@]2(C)C3=C",-12.24077830404646],["▁C[C@]1(O)[C@H](",-12.240861917675687],["c(C)c1O)CCC(C)(C",-12.240876581854833],["5)CC4)c23)",-12.240938772640828],["▁CC(=C/C=C/C",-12.241160098250244],["CCn1cccc1)",-12.24120701413733],["(-c2cn[nH]c2)c",-12.241323102188248],["▁COCCc1noc(CN2CC",-12.241674611503472],["c2/C1=C1/N",-12.241917683298094],["cc(=NN=C",-12.241999408936891],["c2ccc(CC(C)C)cc2",-12.242209675311209],["c3ccc(N4CCCC4)n",-12.242237496385442],["2COc3ccccc3O2)n1",-12.242295550664643],["SSC[C@H](N",-12.24229783812993],["CCc2on",-12.242309901621066],[")c2O)c1O",-12.24243333221789],["c2cc(-c3nn(C(C)C",-12.242481359552803],["c2c(N)ncnc2",-12.24249360404295],["c2c(n1)[nH]c1cc",-12.242661637675448],["c(-n4cccn4)cc3)",-12.242666110858565],["c1c(Cc2ccccc2)n(",-12.242944676622413],["c(CNCCCN3CCOCC3)",-12.243142939428513],["c(-c2nnc(-c3c",-12.243364001382933],["oc(N2CCOCC2)",-12.243474869681776],["(cc(O)c(O)c2Cl)",-12.243576372786924],["4(CN5CCC4CC5)O3)",-12.243610171796997],["c1nnnn1C1CCCCC1",-12.24374376760681],["C(C(=O)[O-])=C",-12.24384534312478],["[C@H]3CCC[C@H]3",-12.24385681748888],["C2NC(=O)NC2",-12.243901989253928],["O)C=CC(C)(C)O3)",-12.2439500682317],["N2CCN(C3CCCC3)C",-12.244140676108268],["c1ccc(/C=C2/SC(",-12.2441938053506],["3CC[C@@H]2C3)",-12.244326797996433],["CCOC(=O)c1[nH]",-12.244415364500036],["(-c2cc3c(cc2C",-12.244421063263696],["OS(=O)(=O)[O-].",-12.244575756549622],["P(=O)(O)O)O3)c2",-12.244701429028158],["2(CCN(Cc3nccs3)C",-12.244797379728055],["c2cc(O)c(O)cc12",-12.245093576385356],["▁O=C(CC(c1ccccc1",-12.245454587114036],["▁N/C(S)=N",-12.245811876231622],["c1coc(-c2ccccc2O",-12.245821528946822],["CN2CCC(C)CC2)c1",-12.245934399310624],["CCC/C(=C\\c3ccc",-12.245987134477026],["c4cc(C)c(C)cc4",-12.246074499939391],["c4ccc5[nH]ncc5c4",-12.246292933497225],["2ccccc2c2ccccc12",-12.246311373562854],["NCC1(N2CCOCC2)CC",-12.24644485233287],["4C(C2)N(C)CCC341",-12.246473116883667],["(=O)OC)ccc3c2n1C",-12.246473118314686],["C4COc5ccccc5O4)",-12.246473125909295],["1CC2CCCC(C1)C2=O",-12.24647316447748],["c4[nH]ccc4n23)C1",-12.246473188733644],["C1CC2COCC(C1)N2",-12.246473583315243],["▁C(=N/n1cnnc1)\\",-12.246474111829745],["c1ccccc1-n1nccn1",-12.246474258552244],["c(C3=CN4CCC3CC4)",-12.246474541794967],["[C@@H]2CCCCN2)O1",-12.246480627845262],["[C@H](c2cncc(C#C",-12.246481073598456],["c1cc(CC(=O)O)cc(",-12.246502859751086],["c4nc5ccccc5n4C)",-12.246522218309916],["Nc1nc3ccccc3o1)N",-12.246527326050632],["N(c4ccc(C)nn4)C",-12.246533825476778],["nc3ccc(Br)cn23)",-12.24654623255755],["(C)ccc1/C(=N/O)",-12.246547203464566],["NCCc2[nH]cnc23)c",-12.246552996184882],["▁CCOc1nn(-c2ncc(",-12.246554469703574],["[C@H]4C/C(=N/OCC",-12.246558768234983],["N2Cc3ccccc3C2=N)",-12.24656575016598],["c(Nc3cccc(C)c3)n",-12.246585242436698],["C#N)C(N)=O)cc(CS",-12.246617461803606],["-c2csc(N/N=C3\\CC",-12.246617784001874],["Oc1ncnc2[nH]cc(",-12.246638985618263],["c4cc(-c5ccccc5)",-12.24670765364166],["Nc1snc(C)c1C(=O)",-12.246732823974265],["▁C/C(Cl)=C",-12.246751357114391],["c2ccc(OCC)cc2c1",-12.246754598253728],["c2cccc3c2N(CC3)",-12.246803613718424],["▁O=C1C(N2CC2)=C",-12.246808053198416],["CN(C(=N)N)C",-12.246865636066616],["=N)N=C(N)NC1(C)C",-12.246877755760488],[")ccc(C#N)c1",-12.246897853954303],["cn2cc(Cl)ccc2n1",-12.24690336291532],["c(C4CCCNC4)nc23)",-12.246937615396872],["▁COCCO[C@H]1CCN(",-12.24695568510232],["Cc2cn3c(n2)CN(C",-12.247006456995184],["n2nc3ccccn3c2=O)",-12.247092770632165],["c1nc3ccccc3nc1n2",-12.24710578765999],["c1ccc2nc(O)oc2c1",-12.247173205936],["H]4CCCC[C@@H]4N)",-12.247204476054169],["N1CCOCC2(C1)CN(",-12.247215478300578],["2C#Cc2ccc(N)nc2)",-12.247251127092763],["(C(=S)Nc2ccccc2)",-12.24725641375299],["c(NC(=N)N)n",-12.247278472517737],["▁CC(/C=C/C=C(\\C)",-12.24728107344319],["c1ccc(O)c(N)c1",-12.247300294340883],["3CC4CC(CC2C4)C3)",-12.247336405973655],["Cc1cc(O)cc2oc(",-12.247372404596543],["c1ccc(N(C)C)nc1",-12.247505609462962],["C[C@]2(C)[C@H]2C",-12.247515479854812],["cc4ccccc34)=NN2)",-12.247547234489687],["n(-c3ccc(C(=O)",-12.247694600651574],["P(=O)(SC(C)CC)N1",-12.247828120909649],["c3c(N)n[nH]c3c2)",-12.247976631234854],["2CCCN(C(=O)C",-12.24803601379812],["c1ncc(C#Cc2ccc(C",-12.248063291757765],["CC4)snc3c2)c",-12.248075104780025],["c1cc(=O)oc2c1cc",-12.248091122988818],["▁CCC(C)(C)/N=c1",-12.248093403205372],["▁CC(C)=CCCC1=CC",-12.248133380043225],["+]1C[C@@H](O)[C@",-12.248220673742848],["CSc2c(C3CC3)c(C",-12.248317071681551],["]3(CC[C@@H]21)",-12.24833289086896],["CCc3c2[nH]c2cc",-12.248396035170588],["C3CC4)O2)",-12.248433008937727],["sc2nc3n(c(=O)c",-12.248436032707556],["C2(CCCc3ccccc32)",-12.248506287332914],["3ccccc3n3c",-12.248513645787538],["nc(N)[nH]c2",-12.248664003956607],["c3c(cc2c1=O)OCO3",-12.248813102688375],["c(C2NC",-12.24889273219307],["▁O=C1CCC2(CCCN(",-12.248985804739416],["4CCC3N4)cnc2F)c",-12.249075957000263],["N(O)CC1=Cc2cc(O",-12.249092847648338],["2=NC[C@@]3(CN4CC",-12.249124755354348],["C2=C(C(=O)O)CCC",-12.249639860178576],["Oc1nc(N)c2",-12.249697637601194],["c4c2cc1OC)CN1CCC",-12.249794296103452],["c1c(O)nc(N)nc1",-12.249812788233946],["CC3)ncnc2s1",-12.249829915466156],["(O)cccc3C[C@H]21",-12.249848799158462],["O/N=C(\\CCN1CC",-12.249863234980284],["C1CCC(C(=O)O)CC1",-12.25000484208213],["c3cc[nH]cc-3n",-12.250218825726453],["4c(c3)OCO4)o2)",-12.2502513003906],["O=C(c1ccnnc1)N1C",-12.250479374300063],["(=O)n(C)c(=O)c-3",-12.25069065937534],["▁CCC1(C)Cc2c(sc3",-12.2507014890591],["CC(C)N(C)CC2C)c",-12.25079331384918],["c2c(cccc2-c2ccc",-12.25089301302063],["▁Cc1ocnc1C(=O)N",-12.25108600413952],["1CCCn2nc(C(=O)N",-12.25119987932041],["C(=O)C(CC1CCCC1)",-12.251243450951108],["c1c(O)cc(OC)cc1",-12.251250462591065],["c(-c4ccccn4)cs3)",-12.25130247384146],["n1ncc2c(NCCO)nc(",-12.251401479844986],["C1(c2cccc(Br)c2)",-12.25158805912054],["-c2ccc(C(=O)N(C)",-12.251595741136695],["N(CCN(C)C)C(C)",-12.251636571950176],["cccc2C2=NCCCN21",-12.251679926346537],["cc(OCC(O)CN2CCN(",-12.251804746060548],["COc1nc2c(c(=O)",-12.252006769250276],["c(=O)n(C3CC3)c2n",-12.252097121066743],["N1CCc2cccc3c2C1C",-12.252162994600775],["c2cc3ccccc3nc2S)",-12.252231775532996],["1(C)CC12NC(=O)N(",-12.252614981065657],["CCN(c3cnccn3)C2)",-12.252704529598718],["(CS)CC",-12.25286032966673],["c2cc3ccccc3cn2)",-12.25304906039276],["c1cnn(C)c(=O)c1",-12.253147893578095],["(CO)cnc(C)c",-12.25344561789672],["nc4ccc(F)cc4s3)",-12.2537450727041],["=O)oc(C)c1C(=O)N",-12.253763798953363],["N4CCNCC4)",-12.253975458153656],["▁Cc1nc2c(C)ccc",-12.254273356416313],["c1[nH]c1ccccc13)",-12.25443393633723],["Cn1sc(=O)",-12.254473287771187],["CN1CC[C@]2(C)c3c",-12.254733617466648],["OC(=O)CCC)",-12.2547928268582],["c(-c3cccs3)s2)",-12.254799572441526],["1(c2ccc(Cl)cc2)C",-12.254878522271047],["3O)c2n1",-12.254920221944646],["c1nnc(N=C(N)N)s1",-12.255020725563496],["2CC3(CCN(C",-12.255082627137298],["2OC(CO)[C@@H](O)",-12.255250380741089],["2CCN(Cc3ccncc3)C",-12.255272829239768],["4)ccc3c2)",-12.255314414235707],["Cc2ncc(C(C)(C)C)",-12.255376320033516],["NCCCNCCCNCCCN",-12.255410071334484],["▁CC1(C)CC(=O)c2s",-12.255430732970911],["c1ncncc1C(=O)N1C",-12.255470710044126],["C2CCCCC2C1=O)N",-12.255478061359772],["n(C2C=CC(",-12.255576795488372],["2CCN(Cc3ccco3)C",-12.255619966609768],["N3C(=O)C=CC3=O)",-12.25577718614814],["c4cc5ccccc5cc4",-12.256027768503008],["c3ncccc3C#N)CC2)",-12.25652797896945],["▁FC(F)(F)c1cnc(",-12.256581570226286],["CN(Cc4cccnc4)C",-12.256706695816302],["4c(c3)OCCO4)o2)c",-12.256911144697929],["(CN3CCCC3)c(O)c",-12.256991940122326],["▁Cc1cc(-c2nnc(SC",-12.25700655549793],["▁N[C@@H]1CCCN(",-12.257177553725594],["▁COc1ccc(C2(CN",-12.257240815939232],["n[nH]c1)c(=O)n2",-12.25736013530783],["1c(=O)c1cc(F)c(",-12.257663868262298],["c1nc(C)c2c(n1)",-12.257885048193897],["CC[C@H]1N2C(=O)N",-12.257941833883786],["▁Cc1c[nH]nc1C1C",-12.25796462953771],["c3c(C=O)c(O)cc",-12.257972530680492],["COc2ccc(-c3nn",-12.257982270427156],["C1=N[C@H]2[C@H](",-12.25802721810887],["C2SCCN2",-12.258072445047832],["(-c3n[nH]c4cc",-12.258085400711431],["O)c1cn(C2CC2)c2",-12.258178891607086],["[C@H]3[C@@H]1CC2",-12.258179727482522],["3C=CC(C",-12.258274308106856],["c1c(O)cc(C(C)(C)",-12.258399569380805],["2CCNCC2)CC1",-12.258571447285906],["C(C)(C1)",-12.25860854701178],[")c(CC=C(C)C)c3O",-12.258785805220011],["-c3ccccn3)ccn2)c",-12.258815247515647],["COc1ccc(Cl)c2c1",-12.258898412413778],["c1c(C)cc(O)cc1C",-12.25898761970994],["c4)cc23)c",-12.2589989708161],["2CCC(C1)",-12.259039646863847],["c(C)cc3oc(=O)c",-12.259061796599408],["Cl)nc(N)nc32)c1C",-12.259135725341531],["2C[C@@H]3CC",-12.259383804748806],["C1CCC2C3CC=C4",-12.259465813111388],["1(c1cccc(O)c1)C2",-12.259721440340169],["Nc1ccc2ncn3c4ccc",-12.259763338458676],["(-c2ccccc2)cs1",-12.259918660106594],["▁Cc1cnccc1-c1c",-12.260092184832285],["[C@]3(CC[C@H](C",-12.260194663567056],["C(=O)c1cc(F)c(",-12.260531764665805],["▁CC1CCN(CC(O)C",-12.26053702002532],["c2[nH]c(CN3CC",-12.26066727244356],["2c1CCCCC2",-12.260695123670288],["c4cccc(Br)c4)",-12.2610143166081],["▁O=c1ccoc2cc(OC",-12.261146650513528],["c1ccc2c(c1OC)",-12.261150423883397],["CCCCn1nc(-c2ccc",-12.261159377246283],["c1cc(O)c2c(c1O)C",-12.26121871466558],[")c43",-12.261416235360402],["C(C2)N(C)CC3",-12.261420775145146],["c(-c1ccccc1)c",-12.261426060038827],["▁Cc1ccncc1-c1ccc",-12.26146252629779],["c2ccc(Cl)c(O)c2)",-12.26157125894066],["3)c(OCC3CC3)n2)",-12.261592518778928],["[C@@]1(CC)C",-12.26161140184982],["1CCc2ccc(O)cc2O1",-12.261699072358065],["▁CSc1cccc(NC(=S)",-12.261731430400054],["c(-n2ncc3c(N4CCC",-12.261759279537024],["SC(NC(C)=O)=N",-12.261779745899634],["CCCCCN(CCCCCCCC)",-12.261790331746337],["c2cc3c(cc2OCN1CC",-12.262101563252113],["▁CC(C)c1csc(-c2n",-12.262283695658466],["2Cc3ccccc3C2)CC1",-12.26259971982908],["Cn1nc2c(cc1=O)C",-12.26289973293683],["(-c2nn(C(C)C)c",-12.262901770578877],["n1c(=O)c2c(c3cc(",-12.26293870484879],["oc(-c2cccs2)nc1",-12.262976368905278],["c(-n4cccn4)",-12.26304082439496],["cc(OC)cc2cccnc12",-12.263137829404323],["c2cc(F)c(Cl)cc2",-12.263141166944193],["c1cc(N)nc(N",-12.263534720127913],["(CCN(C3CCC",-12.263648621654616],["(Cl)cc3)CC2)",-12.2638130622776],["Cc2ccccc2)o1)N",-12.26399548350022],["c1ccc(O)c2nc",-12.264282413252396],["▁c1cn(-c2ccc(",-12.26429157954282],["C[C@@]2(C)[C@@H]",-12.26429455121601],["c1cc(Cl)c(O)c(",-12.264320269732137],["(Oc2ccc(C#N)c(C",-12.264418236795995],["3[nH]c(=S)n(c23)",-12.264544101241718],["▁Cc1cccn2cc(-c3c",-12.264644312293056],["Nc2cnc3[nH]cc(",-12.26474025964178],["c2c(O)ncnc2",-12.265221690902456],["2c(c1)C1C=CCC1C(",-12.265244515376002],["2c(c(O)c1OC)",-12.265284097380944],["▁CSc1sc(-c2cc",-12.265361415424849],["C1=C(C(C)C)C(=O)",-12.265504509972525],["CCN1CN=C(S)N(",-12.265587681538264],["c2c1nc1n2CCC",-12.26564842699717],["c(-c2cc3c(cn2)",-12.265734557965777],["c(=O)c2cc1C(=O)O",-12.265814988553362],["-c3noc(C)n3)c",-12.26581945521803],["c1C(=O)N(C1CCN(C",-12.265859196267074],["c3c(N4CCN(",-12.265952884209076],["1/C(=N/OC(=O)N",-12.265968065866485],["c2c(c1)NC(=O)CS2",-12.266112545647816],["c(C(C)C(=O)O)c",-12.266126785474553],["2N(C)c3ccccc3",-12.2662189334119],["c(C(=O)Nc3nccs3)",-12.266237624339348],["▁CCO/N=C/Nc1c",-12.2664123817118],["▁CCn1ncc2c1C(COC",-12.266537554808885],["Nc1ncc(-c2cc",-12.266595843176384],["COc1ccc(-n2cnnc2",-12.266642955054316],["c1cnc2sc(N3CCCC",-12.266849860085305],["c3[nH]ncc23)cc1",-12.266888527560283],["cc(N2CCC(N(C)C",-12.267055691377369],["2c(c(=O)o1)C(",-12.267244424684025],["(c1ccccc1C(=O)O)",-12.267260879044889],["c2nnc(C)o2)",-12.26739880920174],["CCNC4=O)c",-12.267429529640308],["c2[nH]c3ncnc(N",-12.267569712274971],["(C(N)=O)cccc23)c",-12.267642902631518],["4CCC5",-12.268023132829493],["CCN1c1nc(-c2c",-12.268035331841766],["▁N=C(N)N/N=C(",-12.268132157603985],["c2c(=O)n1N",-12.268175569421256],["OC(=O)C1=COCCO1)",-12.268435913804616],["c2-n2cccc2)",-12.268487047148946],["c3ccc(NC4",-12.268521135335476],["4ccc5c(c4)OCCO5)",-12.26862976612592],["(=O)C3CCCO3)CC2)",-12.2688559322841],["(SCC(=O)NC2CC2)n",-12.269124418120494],["C(=O)c1sc2nc3c(",-12.269360877153597],["c3cc(CO)cc",-12.269374095439984],[")[C@H](O)[C@H]2C",-12.269414381848735],["CCN(CCN)",-12.269499496952864],["c(-c2c(C)nn3c",-12.26951792455996],["1C2)OCO4",-12.269684403890713],["CN(CCCn2ccnc2)C",-12.26977192404244],["C/C=C/C=C/C(=O)N",-12.269867593485545],["c4ccc(C)cc34)",-12.27004465906638],["CN(Cc1ccncc1)C",-12.270517383833718],["2cc(Br)ccc2oc1=O",-12.270596125227472],["cc(N2CCCCC2)n1",-12.270612329176345],["[nH]n4)n",-12.270627057241308],["c(Nc2nn([C@H]3CC",-12.270730494935911],["▁CC(NC(C)(C)C)C(",-12.270864692677035],["▁Cc1nc(-c2nc(",-12.27086526843543],["n1c(Cc2cccs2)n",-12.270893508118268],["(CC(C)N)c(OC)cc1",-12.270923232523804],["N2CC[C@H](F)C2)",-12.271029173027625],["c1ccc(-n2cnnc2SC",-12.271173890269347],["n3cccc(C)c3n2)",-12.2713326787425],["Nc1nc2ccc(-c3ccn",-12.271378278894057],["(=O)OCc2cc(=O)n3",-12.271469696767904],[")CC2CC(C)(C)C3)",-12.271559921348018],["CCNC[C@@H](O)CO",-12.271585341338152],["1[C@H](C#N)C",-12.27162051254577],["O1)[C@@H]1",-12.27170577802052],["▁CC(C)=CN1Cc2c",-12.27177395190728],["CC(CS)C(=O)N",-12.271807346973944],["=C1C(=O)[C@@]23C",-12.271856752946334],["[C@]1(c2ccccc2)O",-12.272335213269406],["c2c(CN3CCCCC3)c",-12.27239430460154],["O)C(C)(C)CCC1",-12.272489982780218],["nc(N=C(N)Nc2ccc",-12.272673763612731],["Cc3sccc32)",-12.272922970425524],["-c2nn3c(c2-c2cc",-12.273024409589746],["-n2nnc3cccnc32)c",-12.27331082091183],["=O)[nH]c2=O)CC1O",-12.27349797223522],["▁Cc1c(NC2CC2)nc(",-12.27354214259347],["▁CCn1c(=O)c2c(n",-12.273562212734284],["c2c(OCC(=O)O)ccc",-12.273572513756786],["c(C(F)F)nc2",-12.274118973152536],["C1CCc2ccc3[nH]cc",-12.274242147723095],["-c3ccccc3)c2c(C)",-12.274365045674688],["2CCC(C(=O)Nc3ccc",-12.2744176888968],["/N=c1\\scc(-c2ccc",-12.274683242997224],["3CCCC3C2",-12.274899986693171],["c3)n3c2CC",-12.275334315048932],["2C(CCC3[C@](C)(",-12.275510513280391],["c(Br)c2C)",-12.275549931134858],["CCCCCCOc1ccc",-12.275695982918805],["N1CCCC(C)(C(=O)N",-12.275840639998098],["c3c(sc4nccc(",-12.275902002853025],["C1OC(=O)C(Cl)=C1",-12.276032314587024],["c3cc(N)ccc32)",-12.27610964709207],["c1cccnc1-n1c",-12.276413568291115],["c3nc4ccccc4c(=O)",-12.276628630977942],["Cc1cccc2sccc12)",-12.276687847499328],["CCCNCCCNCCC",-12.276711142093545],["c1cc(N2CCC(N",-12.276825217715754],["c4)[nH]c23)",-12.276889417325366],["N3CCCc4ccccc43)c",-12.277150067429528],["2c(c3c1",-12.277172453905784],["n2ccccc2=O)c2cc(",-12.277533324163452],["=O)[nH]c(N)nc32)",-12.27767869945528],["nc(O)c(C#N)c",-12.277730299627631],["(/C=N/NC(N)=S)",-12.277908228754969],["2(CCCCCCC2)C1=O",-12.277991896189675],["▁O=c1cnn(",-12.278054986886673],["2=Nn3c(nnc3-c3cc",-12.278278253886477],["Nc2nncs2)cc1",-12.278368453048072],["c2c(cc1Cl)OCO2",-12.278497618868174],["(=O)Nc1cnc(C#N)c",-12.27881654467926],["[C@]2(C)C(=O)C=C",-12.278894289552168],["cc2)[C@H](CO)N1",-12.279016991011469],["▁c1ccc(Oc2cccc(",-12.279210880099],["n(C2CC(O)C(CO)",-12.279262648477818],["c3c(nc2c1-c1cccc",-12.279666948828469],["▁COc1cc2ncnc(-n3",-12.280047004339409],["C(c3ccccc3)=NO2)",-12.280065971538193],["C2CC(=O)N(C3CCCC",-12.280112214412284],["3CCC(O)CC3)",-12.280150104023178],["▁CC1=C(C)C(=O)N(",-12.280273955175964],["c1cn(C2O[C@H](CO",-12.280340945212222],["c3ccc(OC)cc13)",-12.281018944622652],["CSc1ncnc2ccccc12",-12.281083581259988],["(C)C)C(C)C)C(=O)",-12.281183105473218],["COC(=O)C1=CCNCC1",-12.28146458909697],["C2OC(=O)c3ccccc3",-12.281665077056717],["cc2)cn2cc",-12.281746319729452],["cc(-c2cccn3nc(N",-12.281798686887871],["C)CC3)ccc2n",-12.281966719094484],["(F)c(N)c2c(=O)c",-12.2820919590036],[")sc2c1CCN(C",-12.282311706591358],["c5c(cc",-12.28232756567334],[")Nc1cccc2ccc(O)c",-12.282400100830971],["=C(OC)C1=O",-12.28243157220246],["CCNC4=O)c2nc1",-12.282546384649171],["CC[C@]314",-12.282564529293598],["CN(c4ncccn4)C3)",-12.282590094108762],["c(Nc2ncc(Cl)c(N",-12.282946478201502],["]23c4c5ccc(O)c4O",-12.283041784346487],["-c2noc(CCCC(=O)N",-12.283048057793904],["Nc1nc2cc(Cl)c(C#",-12.283100684770217],["[C@H](C1)N(C(=O)",-12.283216804802583],["CC[N+](C)(C)[O-]",-12.283260777094483],["4=O)cc3",-12.283314646639903],["Cn2nc3ccccc3n2)",-12.283505242740745],["[C@H]2CCN(c3ccc",-12.28354053032335],["c1c(C(F)(F)F)nn",-12.283567246854789],["CCc2cc(NC(=",-12.2840495677684],["COC(=O)C/C=C\\",-12.284128603432784],["nnc(-c2ccccc2)s1",-12.284335549193996],["3cccc(CC(=O)O)c3",-12.284873049134369],["C2C=CC(C2)",-12.284947639439242],["c(CN2CCCC(CO)(C",-12.284987035855838],["(C2CCNC2)",-12.285006338392137],["CCC=C1c2ccccc2",-12.28509220962985],["c3ccc[nH]3)CC2)",-12.285227925508677],["c2cn3c(n2)C",-12.285253656496934],["c3c(=O)[nH]cnc3",-12.28530743160151],["c3ccccc3)NC2=O)",-12.28532821931693],["c3nc4ccccc4n23)",-12.285432703906304],["ccn3[C@@H]2O[C@",-12.285498803694397],["CS)C(=O)O)cc1",-12.28575956276968],["c1c(C(=O)O)cccc1",-12.285801211355585],["C1CCc2c(cccc2OC)",-12.285827025981272],["▁COC(=O)C(CCSC)N",-12.285850945941506],["N=C(C)C(N)=N",-12.286017357963065],["(\\C",-12.286145832291222],["cc(OCc2nnc(SC",-12.286173112174922],["C(=O)c2csc3c2CCC",-12.286357141049004],["▁COC(=O)c1ccsc1N",-12.286360391446763],["c(-c2cc3c(cc2F)",-12.286388809084984],["c2c(O)nc3cc(Cl)c",-12.287486193220651],["N(Cc4ccccc4)C",-12.28750204081039],["ccc(Cl)c4)n3n2)",-12.288030955822386],["(CF)OCP(=O)(O)O",-12.288128373476413],["s3)n[nH]c2",-12.288158317445308],["C[C@@H]([C@H]1C)",-12.288287036878408],["(CCCOc2c(C)cc(",-12.28847759913698],["(Cl)cc3Cl)n2)",-12.288498839297],["c(O)c(=O)c(O)c",-12.288501800584164],["Cn2nnnc2CN2CC",-12.288587797036914],["c3ccc(I)cc3",-12.28861335172185],["nc2[nH]ncc12",-12.288692311125114],["-c4ccc(OC)cc4)c",-12.288700908747252],["(C(=O)O)cn4c3c2O",-12.288773384344235],["NC(=O)c2cc3c(C)n",-12.288923837624314],["CSc1nccc(O)n1",-12.288948223815543],["N2CCCC3(COCCN(",-12.289003429336992],["/C=C/C#CC(C)(C)C",-12.289040230017696],["▁COc1ccc2nc(Cl)c",-12.289190621564842],["cc(-c4cccnc4)c3)",-12.289704918095095],["N2CCC(n3cc(",-12.28971419360903],["c2cc3[nH]c(=O)c",-12.289772454672548],["(=O)NCC(c2ccco2)",-12.28982999291816],["cc2)cs/c1=N\\",-12.289952104647629],["c2nnc(C)c(=O)n2N",-12.289989451291374],["3cc(OC(C)=O)ccc3",-12.290073399735272],["Oc1cc(F)ccc1-c1c",-12.290090340950965],["nc2c1NC(=O)CN2",-12.290150208104148],["N2CCN(C(S)=NC",-12.290437880042848],["cc(-n2nnc(C(=O)N",-12.290684157356797],["/N=C(\\S)N1CC",-12.290684773545555],["(=O)c3c(O)cccc3o",-12.2906926163404],["3c(c2)OCO3)o1",-12.290910685808097],["C2CN3CCCCC3CO2)c",-12.291124106288176],["cc(F)cc2)c2ccc(C",-12.291287718936276],["c3)nc(C)n2)c1",-12.291457291163963],["(F)c(Cl)c2)c1",-12.291476093325883],["▁C[C@H]1COCCN1c1",-12.291486209262471],["[nH]c(=S)[nH]c2",-12.29165384149458],["nc2-c2ccco2)",-12.2918683851617],["3CC[C@@]4(C)C[C@",-12.291917194405595],["▁CCOP(=S)(OCC)SC",-12.29192780670636],["C(=O)Cn2ccsc2=N)",-12.291928027514064],["3c(c2)CC/C3=N\\O)",-12.291928035005116],["n1c2c(ccc1=O)C(N",-12.291928765628509],["2C=CC(O2)C1C(=O)",-12.291929962670228],["CN3CCSC3=N2)c",-12.291930592324723],["n4[C@@H]3C[C@]21",-12.291930989548352],["cc(N4CCOCC4)s3)c",-12.29193194681366],["OC(Cn4cncn4)C3)",-12.291945799500462],["CC[C@H]3[C@H]1C5",-12.29194669348044],["nn4)OC3=O)cc2F)",-12.29196096816],["2cccc3c4c(n1c23)",-12.29197529113367],["Cc1ccc(CN(C)C)o1",-12.291983360585228],["Cc1ccc2c3c(c(=O)",-12.29198579100753],["c3c4ccccc4ccn23)",-12.29201071575224],["ncc(C)o1)C1CCN(C",-12.292011735893167],["ccn2c(CC3CC3)nnc",-12.292013245952436],["C(=O)N(SC)[C@H]1",-12.292048641838903],["n3c1nc1ccccc13)C",-12.292092970743017],["[nH]c(=O)n3C)",-12.292150177220451],["c1c(O)nc2c(c1O)",-12.29215914586696],["C[C@@H]([C@H]2C)",-12.292205690498015],["c1cccnc1-n1cncn1",-12.292248159779554],["CCCCCCn1cc[n+](C",-12.292249950066005],["c3ccc(F)c(O)c3)",-12.292277943197456],["(C(=O)OCC)=C(N)O",-12.292312315658696],["c2oc(CO)cc(=O)c2",-12.29231783843158],["cc2[C@@H](n2cccc",-12.292344181068282],["S)C(=O)C1N=Nc1cc",-12.292359133569372],["NC(C)=O)cc2)c",-12.292374936030502],["C[C@@H](C(=C)CO",-12.292396552709093],["c1noc([C@H](CCC",-12.292415039922124],["cc(-c2c[nH]cc2",-12.2924687165685],["ccc(-c4nnc(N)o4)",-12.292533868727734],["c(Cl)cc(N/C=N/OC",-12.29259558622442],["/C=C\\C=C\\C(O)CCC",-12.292786670745809],["c2cn3c4c(cccc24)",-12.292832817593458],["OS(=O)(=O)C=C1OC",-12.29285250626657],["[C@H]2O)c(=O)nc1",-12.292873807013976],["c3nc(C(C)C)no3)",-12.29296108866474],["▁CC(=O)Nc1ncc(SC",-12.293077228323558],["▁O[C@H]1CN[C@H](",-12.293186906057343],["▁O=C(NN1CC=CCC1)",-12.29319043706503],["c1nc(O)c(N=O)c(N",-12.293238247887905],["c1nc(O)c2sccc2n1",-12.293250597265912],["c2cncc(-c3cc4c(",-12.293350081176524],["NC(=O)c2nn(C)c",-12.293402652950338],["▁CCn1nnc(NC(=O)",-12.293555973273],["▁O=c1c2cccnc2sn1",-12.293647141875644],["nnc(-c4ccco4)o3)",-12.293853382939858],["▁COc1ncc(Nc2nc",-12.293988128458231],["Sc1nc2ccccc2o1)N",-12.294228084902482],["c2ccccc2N1Cc1cn(",-12.2942521938145],["nn(C(C)C)c",-12.294489920769784],["c2nc(C(C)C)cs2)",-12.294573270129591],["c2cc3[n+](cc2c1",-12.294753605745862],["CCN(C(C)C)C2)",-12.29497016291685],["c(-c1ccccc1)nn2",-12.294980247046258],["CC=C(/C=N/O)CC1",-12.29518266298058],["n1cc(-c2ccncc2)",-12.295237201323308],["c3nnc(-c4ccccc4",-12.295267573026866],["OC1CCCc2nc(N",-12.29544424326705],["Cn1c(SC)n",-12.295457274946065],["c(-n2c3nc(=O)",-12.295463030029234],["(N)nc2=O)",-12.29553507848891],["C[n+]2ccc3c(c2)",-12.2955359235731],["▁S=C(NCC1CCCO1)",-12.295590314444675],["Cc4ccco4)cc",-12.295611271175895],["nn3c2C)",-12.295692863535333],[")C[S@+]1",-12.296111888612227],["nc3c2C(=O)c2c(N",-12.296250207273708],["c3c(-c4ccccc4F)n",-12.296289318901362],["ccc3c1[C@@H](C2)",-12.296462333810656],["c2ccc3ncnc(Nc4cc",-12.296543680301244],["c(OC)c2occc2c1OC",-12.296561467954202],["ccc(O)c2[nH]",-12.296630145834571],["▁COCCn1cc(-c2c",-12.296753972881907],["(C3CCCC3)C2=O)",-12.296837552288457],["Cn1c(N)c(C(=O)NC",-12.296935115007168],["N2CCC(F)(F)CC2)",-12.297150003161484],["▁Cc1cc(Cl)c2oc(",-12.29725627352903],["c(-c4cccnc4)n3)",-12.297308400689662],["C4CCCCC4)ncnc32)",-12.2973377938427],["c4)ncnc3",-12.297374564924583],["C1c2ccccc2C=C",-12.29739525180823],["-c2csc(NC(=O)c3c",-12.297492433764624],["C(N)=O)c(=O)c2cc",-12.29787306079923],["c3c(C)noc3C)CC2)",-12.297900109977236],["▁COC1COC2(CCN(",-12.298006720307011],["N(c2ccc(-n3c",-12.298044548452932],["c(N3C[C@H](Cn4cc",-12.298547730583875],["▁O=C(N1CCCC1)N1C",-12.298585054219776],["-c1n[nH]c(-c3ccc",-12.298614388705683],["@]1(C)O[C@H]21",-12.298639806273886],["Cc3ccccc3CN2C1",-12.298649502115495],["(=O)N1CCn2c(nnc2",-12.29871682525673],["CN(C4CCOCC4)C3)",-12.298783438975056],["c4ccccc4n(C)c23)",-12.298803647171432],["c(Cl)cc2/C1=N/",-12.298810051715511],["1)OOC1(C",-12.29908489442847],["(C(=O)c3cnn(C)c3",-12.299110597478023],["c2cc(C(F)F)n3nc",-12.29919561012752],["CCC3=CC(=O)CCC3",-12.299227430029417],["c2ccccc2)=C(O)O",-12.299316844274545],["(Cn2cnc3ccccc32)",-12.29953890495864],["3c(nc2c1)CCC3",-12.299747473216495],["c1ccc(-c2cn(-c3c",-12.299811504852048],["c3c(NCc4ccccc4)n",-12.299831958868324],["c(-c2nn3c(C",-12.299858900878494],["c3cc(Cl)cnc3",-12.299987790119037],["c1ccc(Cn2cc(Cl)c",-12.300223168671035],[")ccc([C@@H](O)CN",-12.300260624913966],["c2cc(OC)c(OC)c3",-12.300326518680649],["▁CO[C@@H]1CC=C2N",-12.30040851801301],["]23CCN(C)[C@H](C",-12.300576133361908],["c1ncnc2c1sc1nc",-12.300646358675872],[")c(OC)cc4",-12.30097867267603],["(OC)c(OC)cc1CN",-12.30148644267077],["2C3CCCC2C",-12.301926075455327],["(-c2ccc3ncsc3c2)",-12.301978254847452],["c1ccc(C(=O)Oc2cc",-12.30202019944234],["CNC(=O)C3CC3)c2",-12.302082414162964],["c2nnc(C(C)C)n2",-12.30208544054369],["n(C3CCCCC3)c(=O)",-12.302219067325732],["n2c(S)nnc2-c2ccc",-12.302325172344135],["c2sc(C)nc2",-12.30232969827838],["nc(N2CCNCC2)c",-12.302333612893625],["CN(C(=O)c1ccno1)",-12.302495922222988],["Cc1c(C(C)(C)C)n",-12.302623252496897],["2c(n1C)C(=O)C=C(",-12.302683957938886],["c2c(c3ccccc3c3nc",-12.303000996389317],["c1c2nc3ccccc3c-2",-12.30302301057766],["nc(Nc3ccc(F)cc3O",-12.303086621625706],["2cc(OC)ccc2nc1O",-12.303132542469662],["cccn3)n[nH]c2c1",-12.303304435531707],["▁Nc1ncnc2c1sc1cc",-12.303514792689178],["C(c2cc(F)ccc2F)=",-12.303753169462208],["1CC(=O)NC1=O",-12.303755091691794],["c1c(N2CCCCCC2)",-12.30397148030083],["cc(F)cc3)nc2c1",-12.30398379921935],["CN(c3ccc(C)nn3)C",-12.30427686291016],["3c(-c4cccc(N5CCN",-12.304329625009435],["c3nn(-c4ccccc4)c",-12.304438227025395],["c1c2nc(C(=O)O)cc",-12.30458572939126],["C2(CCCCC2)[C@@H]",-12.304835068879754],["c1ccc(NCc2cccc(O",-12.305154763925543],["[C@]3(C2)[C@@H]1",-12.305608721357546],["nc(C(F)(F)F)cs1",-12.3058083543353],["c2nc1NC(C)(C)C",-12.305849409254684],["-c2[nH]ncc2CN2CC",-12.305943537900028],["CO)O[C@@H](n2c",-12.306350525983916],["1C(=O)CCC1CC(=O)",-12.306393788023572],["/C=C/C1[C@H](O)C",-12.306566764155903],["CO)C=C2F)c(=O)",-12.306570017473057],["[C@@H](O)C12CCN(",-12.3066092178937],["2nc(C)cc(C)c2c1N",-12.306677082338314],["nc3c2NC=NCC3O)c1",-12.30684247151482],["=C(C)C2=O",-12.30692675754942],["[n+]3ccccc3s2)c",-12.306946590378343],["c1ccnc(N(C)C)c1",-12.307088965500144],["ccc3[nH]ncc3c1C2",-12.307137655991331],["▁Cc1nc(CN2CCCN(",-12.307406754873982],["(Br)c2c(c1)OCCO2",-12.30759298181376],["▁O=C1COC(c2ccc(",-12.307597067898795],["3nc(N)nc(N)c3c2C",-12.307783699679264],["NC(=O)c1c(N)n(",-12.307821120468567],["nc2sccn2c1=O",-12.307895711066225],["O)N3OS(=O)(=O)O)",-12.308194533713236],["N[C@H]2CCOC2=O)c",-12.308523920317066],["N(c3ccccc3O)CC2)",-12.308628276515462],["c(CC(N)=O)c2c",-12.308809137050808],["CC(n2nccc2NC(=O)",-12.308828563351494],["c1ccc(C2NC(=O)C",-12.308875550250075],["▁OCC1OC(n2cnc3c",-12.308909853946089],["c3ccc(N4CCCC4)c",-12.308930087645994],["ncnc3nc[nH]c23)",-12.308949864792266],["4[nH]cnc4c3)o2)c",-12.30905376670201],["▁O=C(c1ccno1)N1C",-12.309118770967537],["/N=C/c1cccc",-12.3091464660477],["2c(=O)n3c(nc2c1)",-12.309156515691903],["nc3c2nnn3C",-12.309236972625444],["n3c(n2)SCC3)cc1",-12.30956829646861],["c1cccc(N2C(N)=",-12.309572589945208],[")CCCCCCCCCCC1",-12.30968218640778],["Nc3cccc(Cl)c3C)",-12.309952584089798],["c1cc3ccccc3[nH]",-12.31014921467969],["OC[C@H](C)Oc1ccc",-12.310162867700695],["3(O)CCCCC3)n",-12.310228298362068],["c2occ(C)c",-12.310479011151005],["▁CC(=O)OCC1=C(C",-12.310548156239648],["c(-n2cc(COc3ccc",-12.31074457995166],["c4ccnn4",-12.311522737620962],["c3ccc(-n4cncn4)",-12.311550902161896],["NCCCOc1cccc(C",-12.31168714516313],["▁CC(/N=",-12.312002305643112],["C2CCC1CC(OC(=O)",-12.312080647188951],["Cl)c2c1CCC(CN1CC",-12.312229171130843],["CCC2Cn2cc(C)cn2)",-12.312814933211348],["CCC(C2)C1(C)C",-12.312961101131098],["COc1ccc2cc(-c3nn",-12.313158627321677],["C2C(=O)CC(C)(C)C",-12.313296973977732],["c4cc(C(=O)O)ccc4",-12.313673345246617],["(=O)n(-c4ccccc4)",-12.313727890992618],["=c1oc2ccccc2cc1",-12.314324929619614],["(=O)c1ccccc1n3C)",-12.314377676178752],["C1(C)N=C(N)N=C(N",-12.314548792238174],["-c3ccc4nc(-c5ccc",-12.314624416637487],["n3)ccc2F)N=C(N)O",-12.314850422858193],["CN[C@H](C)CN1C",-12.314950434040764],["-n1c(C)cc",-12.315008145705407],["4CCNCC4)c3",-12.31502511995293],["(=O)N2CCN=C2SC",-12.31510442770034],["/C(C#N)=C(\\",-12.3152425947658],["1(c2cccc(O)c2)CC",-12.3153001836441],["c1COC(=O)NC",-12.31533379751222],["▁Cc1cc(CCCOc2c(C",-12.31534075085072],["(C)N(O)C(C)(C)C",-12.31559760937113],["c4[nH]cnc4",-12.315963886026614],["CCC[C@H](N)CN",-12.31599942208011],["c(=O)n(C)c1=O)C(",-12.316579915177424],["cc(c34)C2=O)cc1",-12.316634752955752],["2CC3CN(",-12.316642323807244],["=C1CC[C@H](C(C)C",-12.316900669560198],["c3ccc4nccnc4c3)",-12.317050142894072],["nc3[nH]ncc23)",-12.317247376370924],["[nH]c(=O)c-3cc3c",-12.317310982729412],["N(CC2CCCO2)C(=O)",-12.317684033951927],["▁Cc1ccc(C)c(Cn2",-12.317849812954917],["ccc(F)c2F)",-12.318195394310209],["-c2ccc(C#N)n2C)c",-12.318198524752926],["CCN2CCCC[C@@H]2",-12.31839829453864],["c(N3CCC[C@H]3CO)",-12.318669583356977],["1C2CC[C@@]2(C)C1",-12.318674268898388],["2C3C4",-12.31876130090198],["sc1C(=O)C1CCCN(C",-12.318864329854463],["sc(-c3cccnc3)n2)",-12.31906545464371],["[C@H]3CNC[C@H]3",-12.319195299596732],["▁CCc1nn2c(=O)cc(",-12.319283094619344],["C(=O)CS3)C(c3ccc",-12.319487988689136],["N1CCCC(c2n",-12.31964952138453],["(C#N)=C(N)O3)cc1",-12.319759172215033],["3CCN(c4ccccc4)C",-12.319897542749734],["/C(=N/N=C/",-12.320079098345488],["C(=O)C(Cl)=C(N",-12.320473807031],["c3noc(C)n3)C2)",-12.320487776404262],["c(C2c3cc4c(cc3OC",-12.320909779320408],["▁Nc1nccn2c",-12.32106537385284],["cc(O)c2oc(-c3cc",-12.32120382472174],["▁COc1cc2c(=O)c",-12.32125852145813],["CCOC2CCCCC2N2CC",-12.321402847755],["2ccc3c(c12)CCCO3",-12.321415738139928],["Oc1ccc2c(=O)c(",-12.32141749414864],["(-c3cccnc3F)ccc1",-12.3215378984552],["cc(Nc2ncc(F)c(N",-12.321656139113394],["n1cnc2c(=O)[nH]c",-12.321918509282776],["CCCCc1ccccc1)C",-12.322091741349391],["c2cc(C)nc(N)n2)",-12.322217018586176],["#CCNC1CCc2ccc(O",-12.322303629474256],["c(/C=N/Nc2nnc",-12.322509906052725],["CC/C(=N/Nc2nc",-12.32256360669021],["c2cn3c(n2)SCC3)",-12.322595221547257],[")nc1CCOc1ccc(C",-12.3229335528069],["▁CN(C)c1ccnc2sc",-12.32320862961097],["2c(c1)OCCO2",-12.32323330500558],["c2nccnc2C2CN(c3",-12.32340289461228],["c2oc(=O)cc(CN3CC",-12.323452931594982],["3ccccc3o2)cs1",-12.323485137313837],["cc2c1NC(=O)C2(",-12.32428613229346],["C(=O)c1nn(C)c2c1",-12.324496185318113],["12CCN(CC1)CC2",-12.324511470869718],["[nH]c4ccc(-c5n",-12.324674143283916],["(SC(C)C)c(C#N)c1",-12.324835939136015],["c1ocnc1C(=O)N1CC",-12.324888135875332],["-n3cccc3)cc2)cc1",-12.324926388242602],["C[N+](CC)(CC)C",-12.324991079429632],["(NC(=O)c4cccnc4)",-12.325046471624102],["[C@H](NC(=N)N)",-12.325060499197264],["[N+]=",-12.325075706348642],["n1c2c(c3cc(",-12.325254577934183],["(-c4ccccc4)csc3",-12.325369556226889],["c(Oc2cccc(F)c2)n",-12.325465944517523],["nc(O)c3ccccc3n2)",-12.32546804992348],["CN3C(=O)NC4(CCCC",-12.325565175969004],["c2sc(C(=O)NC3CN(",-12.325631021269222],["Cc1ccc2oc3cc(",-12.325710342299647],[")CC(C)(C)OC3",-12.326006710227905],["c1ncc(CN2CCC(",-12.326127715131804],["Cc3coc(-c4ccc",-12.326342333889093],["N1CCCC(CNC(=O)",-12.326361985513676],["c(-c2ccccn2)nc(N",-12.326406279289074],["2CCOCC2)oc2cc(OC",-12.326728925787467],["(=O)[nH]c2nnc(SC",-12.326795138247205],["c3ccccc3)nc2n(CC",-12.326931729655223],["c2c1N)CCC",-12.327380561966606],["c(C(=O)O)c3)o2)",-12.32742941620416],["NC(N)=NC2(C)C)c1",-12.327654624835318],["c(-c2cncn2C",-12.327755745833834],["2CCSC2)",-12.32776628087504],["cc(-c2cncnc2-",-12.328004119679308],["(c1cccs1)c1cccs1",-12.328287128516903],["(C)NC[C@@H](O)CO",-12.328310410186544],["CCOc1nsnc1C1=CCC",-12.32833346521526],["c2c([nH]c1=O)",-12.3284580893707],["12CC3CC(C1)CC(NC",-12.328584287556284],["nc(C3CC3)c2",-12.328703802025842],["c3ccc(CC(C)C)cc3",-12.328901888384603],["▁COc1ccc(O)c(-c2",-12.329222709533688],["C2=CCN(C)CC2)c",-12.329779518642791],["▁COc1ccc2c(O)c(",-12.329898190519618],["(F)c(O)c(F)c2)c",-12.329911162668989],["Cc1c(C)n(C(=O)",-12.330047289272953],["c3ccc(OC)c(O)c3",-12.330277904746367],["C(C#Cc1ccccc1)",-12.330370486248448],["(-c2cncs2)",-12.330405546676472],[")cc(C)c1-c1c",-12.330491357825684],["(C(=O)N2CCC2)",-12.330556237469434],["[C@@](C)(c2cc(N",-12.330721827428674],["▁Cc1c2ccccc2nc2",-12.330798088356602],["[C@H](C(=O)O)CS1",-12.330872349974031],["N(CC2CCOCC2)C",-12.330882390342197],[")Nc1cccc",-12.331136719315172],["C2CS(=O)(=O)CC2",-12.331267651054612],["2C[C@H]3OC",-12.331513098506896],["Sc3ccc(Cl)cc3)c",-12.331592649193215],["▁O=C(CCc1ccsc1)N",-12.331784188794588],["c2c(O)cc(Cl)cc2",-12.331803519322293],["c3ncc[nH]3)CC2)",-12.331885282104365],["c(N3CCCCC3)nc2",-12.332068291042876],["cc(-c2cc3nc(NC",-12.3321803685252],["c2cc(-c3ccc(-c4c",-12.332332420160654],["nc2c(N)nc(C#CC",-12.332779179322888],["[n+](Cc4ccccc4)c",-12.332813935998546],["n3-c3ccccc3",-12.332957388483802],["c1nc2sccn2c1",-12.333200112733984],["c3[nH]c(C)c(C)c3",-12.333688369453894],["c1cc2ccc(O)cc2o",-12.334265856760586],["(-c2cc(C(=O)O)cc",-12.334449707292798],["c2c1NC(=O)C2(O)",-12.334504500980774],["cc4ccccc4cc3nc12",-12.334608135901618],["c4cnc5ccccc5c4)",-12.335013911426708],["▁c1ccc(Cn2nnc3c(",-12.33503651022382],["▁CSCC[C@@H](N",-12.335116910504544],["[C@@H]4CC[C@H]5C",-12.335156009395911],["(F)c(F)cc2-c2ccc",-12.33516299671507],["CC(C)COc1ccc(",-12.33555162294552],["(Cl)ccc23)ccc1O",-12.3357126988923],["NCCCNc2nc3ccccc3",-12.335889486798976],["c5ccccc5)c4",-12.335922120385185],["COc1c2occc2cc2cc",-12.335953911594816],["c3ccccc3C#N)CC2)",-12.335964787398304],["c(nc3c(",-12.33625694936577],["C(Nc2ccccc2)=C",-12.336259231214502],["CNCCCSc2ncccn2)c",-12.336277100233564],["(-c2ccccc2)cn1)",-12.33635600196823],["▁Cc1nccn1-c1",-12.336386368543009],["2CCCCC2=O)cc1",-12.336524274078348],["2Cc3[nH]nc",-12.33655851982338],["c1c(C(=O)O)n(C",-12.336763632337986],["OC(CO)C(O)C(O)C2",-12.336809571374593],["nc2sc(-c3ccco3)n",-12.33681015871303],[")CCCCC4)",-12.336819872424932],["c5ccc(O)cc",-12.336834503198425],["c(F)cc(C#N)c2)",-12.336941050916447],["c2c[nH]c3ccc(F)c",-12.337189318437414],["c2c(C(=O)O)[nH]c",-12.337292576486773],["▁CCn1c(S)nnc1-c1",-12.337744407012076],["c1ccc(C2=NN(C3=N",-12.33793531341649],["CN1CCc3ccccc3C1",-12.337968274032075],["N1CCn2c(nnc2C2CC",-12.338038789365063],["▁O=C(C[C@@H]1COC",-12.338150424407289],["N(C(=O)N(C)C)CC2",-12.33823724868997],["c2ccccc2n1-c1nc2",-12.338264051725773],["(N2CCCC2)ccc1",-12.33827366447163],["ccc1-c1nc(CNC",-12.338277148354171],["CC(=O)O)CC3)cc2)",-12.338312062254946],["(Cl)c(S(=O)(=O)N",-12.338545252561522],["c(F)cc4F)",-12.33863978643133],[")N1CCC(O)(C",-12.338659631118528],["N2CC[C@@]3(O)CC",-12.33900777630981],["4c(n3)",-12.339058228100598],["C[n+]1c2ccccc2c",-12.33918400193159],["(C)ccc1Oc1nc",-12.339304360131276],["▁CO[C@@H]1C=C[C@",-12.33952172590577],["C(=O)n2sc3c",-12.33953580452257],["-c3nnn(C)n3)cc2C",-12.339538092561448],["b",-12.339546709188529],["nc5ccccn45)nc23)",-12.339546709188571],["(=C1CC1)C=C2C(F)",-12.339546710125484],[")c3c2NCCC3)ccc1F",-12.33954672619476],[")(CC(C)(C3)C1)C2",-12.33954672919608],["3C=CC(O2)C(C(=O)",-12.33954690928795],["#N)SCC(N(C)C)CS1",-12.339547245966951],["@H](C)O)[C@H]2S1",-12.339550624193812],["C[C@@H](C=CC2=C1",-12.33955146229967],["CCCC(C)CCCC(C)CC",-12.339554527731798],["[nH]c2ncc(-c3cc(",-12.339561213232344],["c-2nc(O)c2nccn12",-12.339561901279996],["▁O=C(O)CC(O)(CSC",-12.339565346797244],["c(oc(CO)cc2=O)C1",-12.339566226476446],["c1coc(=O)c(Br)c1",-12.339569106511474],["c(Oc2cccnc2)ccn1",-12.339580261063164],["c3c([n+]2[O-])CC",-12.339597228369277],["cncn3)cc(=O)n2C)",-12.339639720384724],["▁c1ccc2c(c1)ccn2",-12.33964583755424],["c2cccc3c2CCO3)C1",-12.3396631146517],["c1ccc3[nH]nnc3c1",-12.339669896176668],["(Cl)c(N)cc2OC)CC",-12.33967599867689],["2CCCCN2)cc1",-12.339688352796028],["(OC3CCNCC3)cccc2",-12.339695414627402],["▁CC1=CCC2C(=O)N(",-12.339715052398052],["2C3Cc4ccc(OC)c",-12.339749626687404],["C(=O)c1cc(OCC(F)",-12.33980553992576],["cc(OC)cc13)CCCC2",-12.339810476349593],["=CC(C)(C)NC1(C)C",-12.3398193020505],["c1nc(N)c2c(n1)",-12.339953868684072],["(-c2cncc(C#N)c2N",-12.339962671386834],["sccc3c2c1-c1ccc(",-12.340006068713418],["c([C@@H](C)O)n3)",-12.340054760642325],["CC12CCCN(c1ncnc3",-12.340060630007002],["[C@@]1(C)SC(O)=C",-12.340092405494554],["3c(c2C(=O)C1=O)C",-12.34012573584247],["c2nc(C#N)c[nH]2)",-12.34013119021937],["=CC(=O)[C@@]3(C)",-12.340140789894354],["[C@H](O)C[S@",-12.340166252576818],["-c2cc3ncccc3c(OC",-12.340243733877577],["C(Nc3cccnn3)CC2)",-12.340250525002176],["[C@@H](O)C2(F)F)",-12.34027705849067],["CN4CCC3CC4)nn2)c",-12.340301981398744],["COCC1COCCC12CCN(",-12.340310598371593],["▁CN1/C(=C/C=C/c2",-12.34034483736791],["c2cc(-c3nc4c",-12.340348889001366],["c1nc(NCc2ccccn2)",-12.340378784930309],["H]2CC[C@]3(CC2)O",-12.34038260559111],["C(CNc3cccnn3)C2)",-12.340470509866572],["1Oc2ccc(C)cc2N(C",-12.340536642384697],["N3CCCCC3)c[nH]2)",-12.340572102051569],["▁CCCc1cc(N)c2cc(",-12.340618636231367],["5ccc(F)cc45)CC3)",-12.340653270464724],["2CC[C@H]3OCC",-12.340766806088254],["CN(c3ccccn3)CC1)",-12.340869566242128],["c(Cl)c2c1CCC(C",-12.340891422765411],["cc(N2CCOCC2)nc(C",-12.340947700975963],["CCN(C2CCCCC2O",-12.340962370310928],["Cn2cc[n+](C)c2)c",-12.340971252094404],["2oc(=O)cc(CC",-12.341014743641365],["(-c4ccccc4)nc-3",-12.341042902130283],["CC(C)(C)[Si](F)(",-12.341073658849396],["Cc3ccccc3CN2)",-12.341165162211166],["c1cc(=O)c(O)c",-12.34124366890961],["c(C(=O)CC(C)C)c1",-12.341358042226288],["▁Cc1ccc2ccc(C(",-12.341373604064078],["nnn[nH]",-12.341401781680911],["NC(=O)N(O)C1",-12.3416025639759],["nc(-c3ccccn3)n2",-12.341662856707806],["c(N)oc3cnccc23)c",-12.341763898293742],["C6C4C",-12.341817127772874],["c3c(c2)cc(C)n3C)",-12.34182285682066],["C1CCC2(CC1)OOC1(",-12.341924325692853],["▁c1coc(CN2CC",-12.341989730771184],[")nnc2c2ccccc12",-12.34210595561536],["2nnc3ccccc3c2=O)",-12.342134576688188],["NCc2nc(Cl)cnc2N)",-12.342138900152335],["c(c23)C(=O)N1CC",-12.342155113821864],["cn4c3",-12.342285485137516],["cc(C23CCC(C2)N(C",-12.342422600128527],["n4)n[nH]c3cn2)c",-12.342459525834824],["c3ccc(C)nn3)CC2)",-12.34253473918995],["OC(C)(C)CCCC(C)C",-12.342588987287392],["nc(-c2cccs2)oc1",-12.342704496891088],["Nc1cc(-c2[nH]c(",-12.342742230005133],["CN(c2nccnc2O",-12.34278030376631],["c1cc2c(=O)n3cc(",-12.3429308435055],["c(N2CCCCC2)c",-12.342953643604105],["(=O)O[C@H]2C/C(C",-12.343045914930812],["CN(CCCC)CC(O)c1c",-12.34316977325153],["C1=C(C)N=C2SC",-12.34321208273217],["N2CCn3nc(C",-12.343228679878246],["▁O=C1OCc2ccc(",-12.343271669323952],[")N1CC2CNCC",-12.343429351753056],["[C@@H]2[C@](C)(C",-12.343475528626566],["nc(-c2cnccn2)no1",-12.343572104804156],["C1C2CCC2(C)C(O)C",-12.343666859244978],["c(-c3nnc[nH]3)cc",-12.343692303026229],["N(c4ccncc4)CC3)",-12.3437386736602],["ncc2c(n1)CN(Cc1n",-12.34394763848743],["cc3nc(N)sc3c2)c",-12.343983916819049],["c3ccc(C=O)cc3)",-12.34407334334486],["/C(=N/C(C)(C)C)N",-12.34433275546072],["-n2nc3ccc(NC(=O)",-12.344572201453502],["(C)CC#CCN1CCCC1",-12.344803197092066],["c2oc(C)cc(=O)c2",-12.344834890768064],["CCCN1CC[C@H]2",-12.344847980671933],["c1ccc(-c2cn3c4c",-12.344900279552114],["n[nH]c1O",-12.344903116620142],["cc(C)c1-n1nnnc1",-12.345166821289462],["nc2)cc2ncn(C",-12.34519373105262],["Cc1nnc(NC(=O)CS",-12.34538196391366],["▁O=CN(O)C[C@@H]",-12.345539750984978],["▁C/N=C(/NC#N)NCC",-12.345549912600172],["2c(c1)oc1ccccc12",-12.345621629610257],["c3cc4ccccc4cc23)",-12.345685738227036],["cc2c(NCc3ccc",-12.345753730358927],["nc2cnc(N3CCNCC3)",-12.345792597744037],["3CCCCC3Cn3cncn3)",-12.346035709071288],["(=O)c1ccncc1C2=O",-12.3460637889115],[".O=P",-12.346094869243249],["(C1CC1)C(C)C(=O)",-12.346516095810085],["NCC1OB(O)c2c",-12.346633616563553],["N1CC[C@@]2(O)CC",-12.346690911678795],["(Nc3ccc(F)cc3F)c",-12.346848045251049],["(c2c1)CCN1C(=O)",-12.347090537503568],["2oc(-c3cn4nc(",-12.347129462159522],["cc(-c2cnn3c",-12.347172055526],["▁COC(=O)C(CN)c1c",-12.347187015009291],["(-c3cscn3)n",-12.347221746906554],["▁O=C1CCCC(=O)C1=",-12.347302916190966],["CC(=O)N1CCCC1=O",-12.347327472489887],["C4)cc3c(=O)c2cc1",-12.347439328768292],["sc(N/N=C(\\C)",-12.347446887939594],["cc(CN2C[C@H]3",-12.347544205950712],["c1ccc2cnn(-c3c",-12.347576981790487],["2CN3CCN(C",-12.347818067270683],["n3nc(C(=O)O)c",-12.347911451992063],["H]2[C@H]1OCCN2",-12.3480597487731],["(C(=CC#N)c2cc",-12.348068355089946],["(=O)N1CCCCN1CCN(",-12.34828089071256],["c1cnn2c(N",-12.348327369175497],["c2c1-c1ccc3c(c1C",-12.34837894044768],["(C(C)=O)c(C)n(",-12.348499849687734],["sc(-c3cccnc3)nc2",-12.348550000540316],["N3CC4CC3C",-12.348926600384903],["nc(N3CCCC3)c2",-12.34894272359558],["c2ccc(=O)[nH]c2)",-12.348996822540926],["N(c2ccc3c(c2)CCC",-12.349005461643229],["1CCN(C2CC2)CC1",-12.349155358985676],[")c1cc2cc(O)ccc2",-12.349316571783122],["N3CCCC4c5ccccc5C",-12.349446617243188],["CN1C(=O)C2(OCC",-12.3494930004982],["c2ccc(C)cc2n1CCC",-12.349912659453322],["cc2c1nc(C)c1c(C)",-12.349941811477947],["c1ccc2[nH]c3c4c(",-12.350098077275176],["OC(C)(C)C)CC3)",-12.350275649469172],["C1(c2ccccn2)CC",-12.350477229017764],["1CC=C(c2c",-12.350548555297824],["(CO)O2)c(=O)n(C",-12.35066975982991],["(C)(C)c1ocnc1/C=",-12.3510338521965],["c(-c2cnc3nnn(Cc4",-12.351142310474218],["SC1=NC(",-12.351183671119427],["=O)NC(=O)[C@@H](",-12.351369052750004],["n(C3CCNCC3)",-12.351615718108302],["▁c1cc(C2=NCCN2)c",-12.35176674369035],["c(F)ccc1-c1cncc(",-12.351866670661472],["(Cc1cccnc1)C",-12.351892103412052],["C(=O)/N=C(\\N)NC",-12.351924182488538],["c1c(OC)cc(OC)cc1",-12.352309755491858],["1CCN(c2nccc(NC",-12.352847011844204],["c1nc2c(c(=O)n1C)",-12.35292949230683],["(-c2nc(-c3cc(C)n",-12.353060576204626],["c(-c2nnc(CN3CC",-12.353189603858974],["CN4CCC3CC4)o",-12.353356946479389],["COC1COC2(CCN(",-12.353376650065796],["cccc2NCC2=NCCN2)",-12.353903677327402],["c2ncnc3c2CCN(",-12.353957049439762],["c(-c2cc(N[C@@H]",-12.354105219159882],["c1cc(Br)c2c(c1)",-12.35415209634254],["▁COC(=O)/C=C(C)",-12.35416683027284],["(CN1CCCC1)OC(=O)",-12.354255050682976],["C(=O)c2sc3nc(C)c",-12.354430265735944],["cc(Cn2cc(COc3ccc",-12.354850864008634],["N1CCCC(C(=O)O)C1",-12.354898932906163],["c(C4CC4)n3)",-12.35540761167679],["c2[nH]c3c(c12)CC",-12.355579202207648],["CCN1CC(O)Cn1c2cc",-12.355580142138688],["c(N4CCOCC4)nc23)",-12.355622613168812],["[C@](O)(C(=O)O)C",-12.35595512546212],["4)O[C@@H]3C2)",-12.356138810067252],["n2cc(C(=O)O)cn2)",-12.35614686842989],["(/N=C(\\S)Nc1ccc(",-12.356147964057538],["cc(F)cc2F)c2c1",-12.356221209000488],["cc(Nc2ncnc3ccc(",-12.356305277049366],["C)c(OC)c(OC)c3)c",-12.356465342924166],["c3nnc(Cc4ccc",-12.35653383408246],["N1C(=O)c2cccnc2N",-12.35684077448363],["1CCCCC1)[C@H](O)",-12.356998464024963],["Oc1cncc(N2C",-12.357069200404483],[")c1cc(Cl)cc2c1O",-12.357113993982637],["c4c3oc3ccccc34)",-12.357135122318208],["[C@@H]1COCCN1c1",-12.35721832328133],["c(-c2cccs2)csc1N",-12.357229901238188],["@]12CO[C@@]3(O)",-12.357371300886076],[")ccnc3[nH]2)",-12.357441120473888],["[C@H](NC(=O)OC(C",-12.35772476647634],["CSc1nc(C)cc(C)c1",-12.357961423413167],["cc(NCc3ccccc3O)c",-12.358074250745176],["2CCCNC2)c1",-12.35827343676186],["=CC2=NCCc3c[nH]c",-12.358382770467225],["nnc3c4ccccc4c(OC",-12.358527668322488],["C(CN1CCN(C)CC1)",-12.358709063300196],["(=O)N1CCC(CO)CC1",-12.358864852890768],["c1ccc(C(N)=O)cn1",-12.358963012395758],["c2sc(N3CCOCC3)n",-12.359133297343956],["nc(-c2ccccc2OC)",-12.359163364855664],["c2c(s1)CN(C)CC2",-12.359257308925168],["▁Sc1nnc(-c2c",-12.359289845426462],["2nc(C)c3nnc(-c4c",-12.359319168221942],["CC2(c3ccccc3)CCN",-12.359659831230482],["c3)nc(NC3CC3)c2",-12.359758544575296],["C1=NN(c2nc(N)nc(",-12.35979417466393],["c1nc2c(n1C)CCN(C",-12.35997163014533],["▁CC(C)Cn1c(=O)n(",-12.360008366762765],["c(c(NCc3ccccc3)n",-12.360074876216082],["cc2cc[nH]c12",-12.360232921136976],["c5ccc(F)cc5",-12.360418234959646],["c2c(Cl)nc(N)nc21",-12.360689166975064],["2c(c1-c1ccccc1)",-12.360808435589773],["N(CCC#N)CCC#N)cc",-12.360876999355655],["c(NCC3CC3)nc",-12.360918504469272],["c4[nH]ncc4c",-12.360919079056746],["c1nc3ccccc3o1)C",-12.361256519985108],["c3cccc(C(=N)N)c3",-12.36130077042436],["2C(=O)CSC2=S)cc1",-12.361430045166069],["N3C(=O)CSC3",-12.361456563671556],["CC[C@]2(C[C@H](O",-12.3615853782446],["(C3)N4)",-12.361593085400424],["▁Cn1c(=O)oc2c",-12.361665601784038],["CN(CC2CCC2)C",-12.361772951297231],["cn3C)nc2",-12.362232696400916],["▁Cc1nccc(-c2ccc",-12.362248548635296],["c(-c2nnc(SCc3ccc",-12.362444686644643],["(-c2ccncc2)[nH]",-12.362624605139256],["nc3cc(Cl)c(Cl)c",-12.362897560413137],["=C(C(C)(C)C)C1=O",-12.36327159086918],["C4[C@@H](C2)N(C",-12.3635800440289],["(O)C3O)",-12.36381311359893],["C1(c2cccnc2)CC",-12.36412094067198],["C3CCCCCC3)CC2)",-12.36446960644694],["-c3ccco3)o2)cc1",-12.36454070898024],["ccc(CC(N)c2csc(N",-12.364631020841228],["▁Nc1scc(-c2ccc",-12.364633309590335],["Oc1cc(C2CN=C(",-12.364634400969257],["c3cccc(Cl)c23)",-12.364726002679651],["c2occ(CC(=O)N",-12.364846113169786],["c3ccn(C)c(=O)c3)",-12.364889168859277],["(C)c1nc(C2CCCN2C",-12.365136067037517],["1CCC(c2ccccc2)(",-12.36520058243699],["▁COc1c(O)cc2c(c1",-12.3652081877059],["CCCCCCc1ccc(CCC",-12.365211366785042],["c(COC(C)=O)c",-12.365227528860917],["O)cc(C)c1Oc1cc",-12.36568553693508],["c(C(C)(C)C)nn2C",-12.365686180763165],["(C)Sc1nc2c(c(=O)",-12.365892407969032],["cc2Br)n",-12.365979038308232],["cc3cn[nH]c3c2)",-12.36624890570232],["(=O)NC1(C(=O)O)C",-12.366300850613522],["2CCCCc3ccccc32)",-12.366875823857288],["(O)(c3c[nH]cn3)C",-12.366879574032328],["cc(C(C)=O)c3)",-12.367084906085845],["c(-c2cccc(N)n2)",-12.367420031926166],["c1nonc1/C(=N/O)N",-12.367474820212784],["c1ncoc1-c1ccc",-12.367477646754242],["c1ccc2ccn(CCN3CC",-12.367666583275108],["CNCC(O)c2ccccc2)",-12.367672763477234],["/C=C/c3cccnc3)c",-12.368048346979949],["Oc2ccc3c4c(",-12.368332141643524],["Cn3cccn3)CC2)",-12.368344472951286],["c2nc(N)nc(N)n2)",-12.368367074735945],["H](N=[N+]=[N-])",-12.368454362382614],["c3ccc4c(ccn4C)c3",-12.368576727523315],["N1CCN(C2c3ccccc3",-12.3693693151279],["▁C=C1C[C@@]2",-12.369395587978772],["(C)c1ccc(OC(=O)N",-12.369509330827114],["(O)cc3)CC2)CCN1C",-12.369664418178708],["3COC(=O)[C@@H]3",-12.369903459064318],["c4o3)c",-12.370158091712586],["-n1nnnc1S",-12.370329253449984],["(CC2CCCC2)C(=O)N",-12.370348402729435],["-c5ccccc5)nn34)",-12.370393858507434],["C[C@@H]3N)n",-12.370472587627267],["c2[nH]c(C)c(CCN",-12.370515933552092],["n1c(C)c(C(C)=O)c",-12.370533286575938],["3c(nc2c1)CCCC3",-12.370650608816684],["▁c1ccc(Cn2cnc3c",-12.37072236160594],["N1C(=O)CC(N2CCN(",-12.370742342283542],["(-c4ccc5nc",-12.370858262817933],["cc(OC(=O)N(C)C)c",-12.37087847802782],["N4CCCCC4)ncnc3",-12.37103144353972],["ccc3c2CC1C(=O)",-12.371200301343857],["4CCC3CC4)",-12.371590060530847],["▁CCO/N=C(\\C",-12.371602554604843],["C[C@@H]1O)Cn1c",-12.371787134650903],["(C#Cc2csc(C)n2)c",-12.371937647468291],["N=c1sccn1CC(=O)N",-12.372346407117568],["Sc1sc(C(=O)O)c",-12.372421130124335],["O1)C(C(=O)",-12.372518098083596],["N2CCN(c3noc",-12.372552171165909],["cccc(-n2cnnn2)c1",-12.37258954797968],["c3cc(C)ccn3",-12.37288548358898],["(/C=C/C(=O)O)=C\\",-12.37309246466758],["N(Cc1nccs1)",-12.373229624994684],["=C(/C#N)C(N)=O",-12.373520640737611],["NC(=O)c2ccc(C3CC",-12.373875054023433],["c1noc(CCCC(=O)N",-12.373996765630976],["Cc1noc(-c2n",-12.374003842240487],["c3c4ccccc4nc-3c",-12.37402348549427],["=O)[nH]c(=O)nc-3",-12.3741934886556],["(-c2ccccc2O)o",-12.374301921468495],["F)cc1-c1ccc2cc(N",-12.37435280417144],["cn(-c3ccc4c(c3)",-12.374379058230776],["c1cnc2n(c1=O)C",-12.374541832096602],[")[C@H]1O5",-12.374957436401894],["oc2ccc(Cl)cc2n1C",-12.37502726124368],["3CC[C@H](C2)N3",-12.375185088884043],["N[C@@H]2C(=O)N3",-12.3752807588517],["C(=O)c1cc2c(cc1N",-12.37531332226848],["▁Cl.NC(N)=NC(=O)",-12.375361910312144],["3(CN4CCC3CC4)O2)",-12.37540161497518],[")ccc(Cl)c21",-12.375712455350085],["c3[n+](c",-12.37583878491057],["c3c(ccc4c",-12.37584916033882],["nc(-c3ccco3)no2)",-12.376118396675633],["▁Cn1ccc2c(-c3cc",-12.376119789763504],["c(C)c(C#N)c2",-12.37635223471499],["=C\\C(C)=C\\C(=O)O",-12.376799192483544],["@](CN)(CC(=O)O)C",-12.37688057658466],["COC(=O)c1c(C)n",-12.377280214200972],["▁c1ccc(-n2ncc3c",-12.37734856736353],["(C)nc3nc(C)nn23)",-12.37743127351375],["▁Cc1c2cc[n+](",-12.377540045111475],["C(Nc1ncccn1)",-12.37767385365943],["n2cc(COc3ccccc3)",-12.37776482528714],["(C(=O)N3C[C@H]4C",-12.377818339725016],["C1=C(/C=C/C(C)=C",-12.377939025095316],["C(Br)=C/c1ccccc1",-12.37800523946499],["(O)c2c(c1O)C(=O)",-12.378126645311308],["c(NCCN3CCCC3)",-12.378233531147984],["▁CCOC(=O)/C=C(C)",-12.378266255227794],["NC(=O)c2csc(C)",-12.378458336474935],["[nH]c2cc(O)ccc12",-12.378566940624928],["▁CCCCCCNC(=O)n1c",-12.378799528185075],["3(CCCCC3)",-12.378898619426428],["CCc1nc2cc(NC(=O)",-12.378935604548486],["c1cc(I)c(O)c(",-12.378975205426254],["n3c2nc2ccccc23)c",-12.379111367520908],["OC(=N)C",-12.379210295242345],["c3ccc(C(N)=O)cn3",-12.379263037489984],["▁CCc1ncnc(-c2ccc",-12.379449677214009],["N(C)[C@@H]1CCN(",-12.379974587926585],["CC2)nc2cc(NC(=O)",-12.379999587363354],["=CCC/C(C)=C/CN",-12.38072305912735],["c2cc(-c3noc(",-12.38074661851546],["c2cc(Cl)ccc2-n2c",-12.38080112558599],["2cnc3ccccc3c2=O)",-12.380829614868892],["C23CC4CC(CC(C4)C",-12.381049471559804],["▁Cl.N=C(C",-12.381077261726125],["2CCC3C4CCC(=O)",-12.381110676261248],["▁c1ccc(CSc2nnc(",-12.381113545411475],["COC[C@@H]2Cc2ccc",-12.381251179417262],["▁CC1(c2nnc(",-12.3813227475595],["c3c(=O)[nH]c(N)n",-12.38132825939772],["CC(C)(C)N(Cl)Cl",-12.381402857182442],["1c32",-12.381433417408676],["C[n+]1cccc(Br)c1",-12.381545799836308],["c(-c2csc3ncnc(S",-12.38165096602838],["sc(N=C(N)N)n2)c",-12.381742491097317],["c(C)cc(C(=O)CS",-12.381787196605943],["▁Cn1c(=O)ccc2cc(",-12.381834100578118],["(O)ccc4ccccc34)",-12.382045213008537],["c1c(C(=O)O)oc2cc",-12.38207414923158],["C(Nc1nc3c",-12.382179284887494],["oc2ccccc2c(=O)c1",-12.382314016120056],["C)c1C1C(=O)N2C",-12.382503757737473],["/C(Br)=C/",-12.382846275054671],["@H](O)[C@H]4O)",-12.38298732325573],["CCC/N=c1\\cc",-12.383147465862445],["c3c(C(N)=O)nc",-12.383239971628866],["n2c(COc3ccccc3)n",-12.383255777508024],["1(C)Cc2ccccc2-c2",-12.383626463175466],["(=O)oc3ccc(C)cc3",-12.383655915067404],["sc(N=C(N)N)n",-12.38379489589242],["C(=O)C(=CNc2ccc",-12.383800991766403],["4)ccnc32)",-12.383895166603455],["C(=O)OC(C)OC(=O)",-12.384105612972911],["c3c(ccn3C",-12.3841907100612],["sc1C1(C)CC(c2ccc",-12.384351295659874],["C2CCCN(c3ncnc4",-12.384382784087162],["cc3)cc(=O)c2c1O",-12.384755616036976],["CCC1C2CCC2(C)C(",-12.384811472395135],["(-c3ccc(OCC)cc3)",-12.38504585345475],["CC/C(C)=N/Nc1nc(",-12.385276070982885],["c1cc(C)c(C#N)c(S",-12.385321466294354],["oc(-c3ccco3)n2)",-12.385707038040438],["Oc1nc(N)nc2[nH]c",-12.385709552952834],["2c(c1)OCO2",-12.385765299475656],["Cc1nnc(O)",-12.385945472842266],["c2[nH]c(C(=O)N3C",-12.385997963178069],["c2nc(C(=O)O)cs2)",-12.386143548688343],["C1CN(c2c(F)cc",-12.386677177744255],["[Br-].",-12.386726775018278],["nc2c(Cl)cc(Cl)c",-12.386818614669696],["nc3n(c(=O)c12)CC",-12.386946396692684],["C(=O)c3noc4c3CC",-12.387092391268428],["2=NS(=O)(=O)c3cc",-12.387208506029598],["#Cc1cc(Oc2cnc(N",-12.38730026135666],["-n2nnnc2C",-12.387450616893382],["2c(C)n[nH]c2O)c",-12.387526361491778],["C)C(C)=CCC[C@H]3",-12.38762086449548],["@H]1NC(C)=O",-12.387649529059775],["C2(OCCCO2)c2cc",-12.387667614789423],["c(=O)n(-c2ccc(OC",-12.3876745147418],["(OC)c2c(c1)C(=O)",-12.387750562559344],["▁COCCOc1cc2nc",-12.38782114441241],["▁N#CSCCOc1ccc",-12.387906253976093],["CCCOc2c(C)cc(",-12.388067023045426],[")ccc3N2CC",-12.388216702507773],["▁CC1(C)Cc2c(sc3",-12.388275046213174],["(c2ccncc2)(c2ccc",-12.388591771133164],["cc(-c2nnc(SCc3cc",-12.38879601124049],["noc(C(F)(F)F)n3)",-12.388800946483054],["▁CC1=[N+](",-12.388836160000496],["H]2C[C@H]3C",-12.389067751192435],["c3oc(=O)ccc13)",-12.38907010421032],["(Nc3ccc(O)cc3)n",-12.38920931149534],["CCOc1ccc(NC(=O)O",-12.389251341773978],["(OCC2CO2)c",-12.389337307577248],["Cc5ccccc5C4)",-12.389359947864],["CC2(CCCNC2)",-12.389409373908958],["c2ccc3c4c(ccc",-12.389483429297371],["Cc1cnc(N)c(C",-12.389511713585076],["T",-12.389546709188528],["c(/C=C4",-12.389559283092328],["(O)[C@@H]3O)cc2)",-12.389565153990402],["[C@]1(C)SC(N[C@",-12.389717649211672],["(-c3c(F)cc",-12.389729019455157],["N2CC(C(=O)O)C",-12.389835732346114],["Nc2ncc(Cl)c(-c3c",-12.390292540151764],["c2ccc3cc4n(c3",-12.390353345491231],["(F)c(F)c2)n1",-12.390624570166269],["-n2c(S)nnc2-c2c",-12.390655063753693],["3ccc(O)cc3oc2=O)",-12.391118697758117],["N(c5ccccc5)CC4)",-12.391350114148445],["cc(C)oc(=O)c",-12.391596500457355],["c(O)c(O)c(Br)c1",-12.391630207939697],["c(c2)OC(F)(F)O3)",-12.3916854056947],["c(Cc2cc([C@@H]3O",-12.391786559877833],[")sc4n3)oc2c1",-12.391857637291878],["CCc3nc(N4CC",-12.392009112324844],["nc(C2CC2)n1C1CC1",-12.39208880480841],["3)CC2)ccc1C",-12.392281362192772],["N(C)c1nc(N(C)C)",-12.392338896223116],[")cccc3c21",-12.392348076654384],["c2ccc(Br)c(C)c2)",-12.39242498358508],["3CCC2CC3)",-12.392668852025189],["CC12CCC(=O)C=C1",-12.39268569482464],["oc2cc3c(cc12)C",-12.392824067525982],["[C@H](N)c1nc2cc(",-12.392865733997258],["▁Sc1nnc(COc2ccc",-12.39287052194502],["cc2c1C(=O)c1c(",-12.392965953445485],["▁COc1c2occc2c(C",-12.393336574410728],["2c1c1ccccc1n2CCF",-12.39334592900382],["c(-c3ccc(CN4CC",-12.393403744898816],["n(C2CCCC2)c2c1CC",-12.39342300441838],["c3c(-c4nc5ccccc5",-12.39352465853292],["-c1c[nH]c2ncnc(N",-12.393758785058653],["(C)cc(OC)c(C)c1C",-12.393786306476184],["▁O=C1CN=C(n2cnc(",-12.39396792778257],["CNC/C1=C\\c1ccc",-12.393986871739065],["CCOC(C)(C)C2)c1",-12.394010881654667],["cc3)OO2)c",-12.394197776464784],["nc(SCc2cc(=O)c(O",-12.394335673128769],["c2cc(-c3ccc4oc(N",-12.3943417670456],["@H](O)C[C@@]21C",-12.394986918345058],["Nc1c(C#N)c",-12.395085270089409],["c(-c2ccc(/C=C3/",-12.395484641371016],["-n2nc3ccccc3n2)c",-12.395592269525114],["(-c2cccc(Br)c2)c",-12.395790361923636],["CSc2nncn2-c2cccc",-12.396013648812607],["1CCc2c(C#N)cccc2",-12.396143408685422],["c1nc(Nc2ccncc2)",-12.396167610390895],["▁Cc1nc(N(C)C)nc",-12.396183440022874],["3c2CCc2ccccc2-3)",-12.396437899491511],["CCN(Cc1ccoc1)CC2",-12.396586577394409],["Cc3nnc4ccc(",-12.396630198299937],["c(-c2cc3c(-c4cc",-12.396660506819243],["c(Oc2ccc(O)nn2)n",-12.396664757962805],["▁CC(=O)N1CCC(=",-12.396778316095606],["cc1NC(=O)c1csc2c",-12.39741036825166],["▁NC(=O)N1CCCc2c",-12.39766753307272],["c(-c3ccccc3F)o2)",-12.397741248760514],["2CC=C(c3ccccc3)C",-12.39781844193982],["Cn2c3c(c4cc",-12.397906768488475],["nc(-c2cnccn2)n1",-12.39797920425918],["ccc31)CCCC2",-12.398081023020843],["c1oc2c(c1C",-12.398247513288185],["c3ccccc3C2)CCN1",-12.398401687216182],["cc(=O)n4ncc(-c5",-12.398421341930929],["n1cnc2c(N(C)C)nc",-12.398559854828427],["[C@H]3[C@@H](OC",-12.399037394079592],["c1ccn2ncc(C(=O)N",-12.399388961103831],["c4ccccc4)nc3c2)",-12.399493253666169],["CCC[C@@H](/C=N/N",-12.399543427636756],["nc(Br)n2",-12.399560471107602],["CCCCc1ccn(Cc2ccc",-12.399707634411287],["CSC(=S)N2CCCC2)",-12.399872231807826],["Cc1ccc(F)cc1)c1n",-12.39991108391333],["c2[nH]c(C)c(C)c2",-12.400203780661553],["c3ccccc3)N=C2C)",-12.40037439414978],["N1CCCn2c(",-12.400630610497208],["c(N2CC[C@@H]3CN",-12.40071522394411],["c(OS(C)(=O)=O)c",-12.40100584514041],["c2c(=O)c3cccc(C",-12.401169389934092],["▁CCCn1cc(-c2c",-12.4014014641464],["Sc1nc(O)cc(=O)n1",-12.401448695959118],["c(F)cn2c(=O)c(",-12.401449775025284],["nc3[nH]cc(C#N)c",-12.401502577582514],["NCc3cccnc3)c",-12.401675153147554],["▁O=C1OC(O)C(c2cc",-12.4016762889244],["Oc1ccc(-n2c(SC)n",-12.401869449700849],["(O)CN1CCN(C(=O)C",-12.402039699608965],["Cc2n[nH]c(=S)n2",-12.402158178556386],["CC(=O)C(/C=N/CC",-12.40237030119658],["=C2\\NC(=O)CS2)",-12.402454909569796],["N2CC=C(c3c",-12.402546373082693],["c1ccc(Cn2cc(Br)c",-12.402701736574388],["Nc2nc3ccccc3c3n",-12.402761875515653],["C2(CCc3ccccc3C2)",-12.402887011311323],["c(Cl)cn3)ccc2F)",-12.40295834109096],["]4(C)[C@H]3[C@",-12.403012100635769],["C(C2)[C@@H]1C",-12.403429900473514],["c1cc2c(cc1Br)OCC",-12.40361877374538],["2CC(c3ccccc3O)=N",-12.404081557045808],["c1cnnc(N2CCCC2CN",-12.404106972632103],["c(SC(C)C(=O)O)",-12.404300719733865],["▁O=S(=O)(NC1C2CC",-12.404373358259832],["c2nc(C3CCNCC3)n",-12.404412317911389],["O)cn3C(C)(C)C)C",-12.404422331160635],["c3c4c(sc3n",-12.40459137620844],["cnc3cn2)c",-12.404921941352534],["nc4[nH]ccc34)C2)",-12.40526015204108],["CSc1nnc2n",-12.40535042800954],["cnc1Oc1ccc(N",-12.405481427978426],["(C)c(C2C(=O)N3CC",-12.40551834333121],["CCOc1ccc(-c2cc(O",-12.405525139513426],["c1cc(NC(=O)CN2CC",-12.405549913170493],["[nH]n2)c2c1C(=O)",-12.40586272634353],["c(C#Cc2ccc(C(C)",-12.40589683425242],["▁Oc1c(Br)cc(Br)c",-12.40592875309762],["Cc1n[nH]c(CC)c1",-12.406844739154725],["nc(C2CC2)nc1N1CC",-12.40688722777922],["N2CCN(c3nccs3)C",-12.40693877510364],["n1nnc2cc3c(=O)n(",-12.40703497378742],["▁CCOc1ccc2nc3cc(",-12.407097451430587],["N=[N+]=[N-])C(CO",-12.407130957143156],["N2CCN3CCCC3C2)",-12.407672376349998],["▁Cn1ccc(CN2CCC",-12.407685175292784],["c2cc(OC[C@H]3C",-12.40776848192917],["C/N=C(\\S)NCc2ccc",-12.407875970335867],["nc(NCC(C)C)n",-12.408080389961976],["n(CCCN)c(=O)c2c",-12.40814830270266],["/C(O)=C(\\",-12.408224855831737],["cc(C(F)(F)F)c4)n",-12.408225563746877],["(N4CCOCC4)nc32)",-12.408230314823223],["n(Cc3ccccc3F)n2)",-12.408380659140242],["CC1)n1cc(Cl)nc(N",-12.40879193942062],["C(C)C)c(C#N)c2)",-12.40913160671413],["c1ccccc1-c1nnc(C",-12.409541669515448],["▁N#Cc1cnn2c",-12.409611427738543],["c(N3CCC3)n",-12.409638705729376],["▁CCCCCC(C)NCc1c",-12.410784204260535],["c1ccc(CN2CCOC3(C",-12.410839178661504],["C(Sc1nnnn1",-12.41085947789774],["N3CCC(N4C",-12.41097234925192],["(=O)CC1(O)C(=O)N",-12.411529997679176],["(=O)NCC(c1cccs1)",-12.41154281646104],["C[N+]12CCC(CC1)",-12.411901135191998],["1(c2ccc(N)cc2)CC",-12.411936202492916],["CC2C3CC=C4C[C@",-12.412509526508003],["1CC[C@H]2CCCCN21",-12.413116079736003],["(=O)C(C)=C(N",-12.413336559789409],["1CCC2(CC1)COC(CO",-12.413780859425303],["c1cccc(C2=NOC(",-12.414033567901248],["cc(C3=NCCO3)cc2",-12.414327688644],["/C=C(C)\\C=C",-12.41435468905948],["c(/C=N/n2c(C)n",-12.414681117075231],["C(CCn1ccnc1)",-12.415365078422436],["1CCc2sccc2C1",-12.415430262558726],["▁Cn1ccnc1CN1CCN(",-12.415610031528969],["(-c2cc(N3C[C@H](",-12.415636615500103],["c4ccc(N)cc4",-12.415810601412282],["c1noc2cc(-c3",-12.415928077855984],["c(N2CC[C@H](N3CC",-12.416353608362344],["Nc2c(C(N)=O)",-12.416418629391403],["n1c(/C=C/c2ccc",-12.416509295738466],["4c(cc23)OCO4)cc1",-12.416883963442272],["NC1=NCCN1OCc1ccc",-12.416988715428708],["c1cccc2[nH]c(C3",-12.4171217046916],["3c4c5ccc(O)c4OC2",-12.417148938391158],["C1Cc2c([nH]c3ccc",-12.417307140279648],["2nc3c(cc12)",-12.417511079176084],["▁C[C@H](CO)Nc1nc",-12.41772009705942],["]1(CO)O[C@@H](",-12.417771227845678],["c3c4cc5c(cc4c",-12.418171201516174],["cc(C3CC4CCC3N4)c",-12.418176066203388],["c(C2NC(S)=NC3=C2",-12.418531592683372],["[nH]4)n[nH]c3c2)",-12.41854782568625],["C(c3ccccc3O)C",-12.418833391828436],["▁COc1ccc2c(C)cc(",-12.419378917482296],["(-c2nccc3c(Nc4cc",-12.419386037729502],[")c(-c2ccc(OC)c(",-12.41987292325419],["3C(CCC4=C",-12.419920339288494],["3CCNC3=O)cc2)cc1",-12.420352663720886],["3ccccc3c2s1",-12.420734498307477],["C2(C1)C(=O)N",-12.420790677686004],["cc3O)o2)",-12.42081411406729],["▁Cc1nc2c(cnn2-c2",-12.42085187591776],["c1c(O)cc(C)cc1O",-12.421047026705558],["COc2ccc(F)c",-12.421090074171849],["c-3[nH]c",-12.42132871712934],["(=O)C1=C(C)NC(SC",-12.421329389178617],["nc(-c3cccs3)no2)",-12.421400997065644],["C4=CC(=O)CCC4C3",-12.42145767186387],["ncnc3c2c2c1C",-12.421597934784751],["ccc3c2[nH]c2cc",-12.421649462030173],[")c(OC2CCCC2)c1",-12.42171576293728],["2ccc(C#N)cc12",-12.421730640162073],["c2ncc3ncc(=O)n(C",-12.421985528914169],["(C(N)=O)c2c1-c1n",-12.42219813366436],["=O)cc(C(=O)[O-])",-12.42224218355678],["cc(OCc2cc(=O)n3c",-12.422338561501348],["(C(CCCCCC(=O)O)",-12.422515255166427],["▁Cc1c[nH]c2ncnc(",-12.42259063662972],["Oc1c(OC)cccc1OC)",-12.422676913293058],["c(CN2CCO[C@@H]3",-12.422980318587731],["Nc1c(C(=O)OCC)c",-12.423426453818877],["(sc3n2)CCCC4)cc1",-12.423453387555366],["c1nc2c(c3c1C",-12.423563401231704],["c1nc(S)n(Nc2ccc",-12.42362462939932],["C2CC3CCCC(C2)",-12.423778584266076],["▁CCc1cc2c(N3CC",-12.4246052051198],["-c2ccc(F)nc2)c",-12.424934231991584],["▁COc1cc2ccnc3c",-12.42494448370411],["n1cnc(-c2ccccc2)",-12.424984056177577],["c3ccc(CC(=O)O)cc",-12.42511678157217],["Oc2ccc3c(=O)c",-12.425566745981284],["c2cn(C)nc2-c2ccc",-12.425567184137838],["c(C(=N)N)cc3)c",-12.425626224789385],["C[C@]2(CC1)Cc1cc",-12.42600450926792],["3CC4(C",-12.426192523592412],["NC3(CCCCC3)C2=O)",-12.426237609706927],["N1C(c2ccccc2)C",-12.42659726054179],["c2nnc3c(C)nc",-12.426984481612322],["N(C)Cc1ccc(CSCCN",-12.427008665222193],["-c2cccc3ncnn23)c",-12.42714847335542],["3[C@H]1C5",-12.427575350697476],["Cc1cc(Nc2ccnc3cc",-12.42775792959727],["nc([C@H]3CCN(C",-12.427778027308976],["3cccn3c3cccnc32)",-12.428395804148687],["c2c(c1)NC(=O)CN2",-12.428734298543594],["=C/C(=O)O)/C=C/",-12.428833026328174],["c3nc(Nc4cc",-12.428861230576295],["Nc1nc2ccccc2n2cn",-12.429403067608012],["1CCC2(CC",-12.430212694008912],["3OO4",-12.430363942903185],["(=O)n(C)c3[nH]2)",-12.43043613960476],["CCc1cccc2ccc(OC)",-12.430560684166313],["2nc(N)nc(N)c2c1C",-12.430619040597612],["nc1N1CCN(C(=O)N",-12.430705702158036],["n3ncc(C#N)c3n2)c",-12.43079977977228],["Nc1nccs1)c1ccc(",-12.430804306990613],["CC)C(=O)c1ccc(OC",-12.43083395474594],["CSc1nnc(O)n1C",-12.43107554780232],["▁CC(C)NC(C)C(O)",-12.431552385020826],["▁O=c1c2cccc3c",-12.432165941006597],[")c2ncn(/C=C3/C",-12.432335403972722],["cc2c(c1)COP(=S)(",-12.432512296971913],["c(C#N)c(Cl)c2)C1",-12.432659584615877],["C(=O)N2CCOC(c3nc",-12.43314429852407],["Oc1ccc2oc3c(c2c1",-12.433557467049166],["c(O)ccc3C[C@@H]1",-12.434044906034138],["c(OCCOCCOCCF)cc",-12.434049968822793],["NC(=O)CSc2n[nH]c",-12.434120547950382],["N2C(=O)C(O)=C(",-12.4341966033406],["oc(C)cc(=O)c1",-12.434319416774708],["2CCCN(Cc3ccccc3)",-12.434335304767291],["c3c(cc12)CCC3",-12.434444393891852],["n1c(=O)c(C(=O)NC",-12.434500390106871],["c(-c2cc[nH]n2)c",-12.434591703481638],["c2cnc3[nH]ccc3n",-12.435125477998088],["c(Cc3ccccc3)no2)",-12.435236401132045],["▁Cn1cccc1-c1cc(",-12.435302313113333],["OP(=O)(O)CO",-12.435535790979404],["c1cc(O)nc(N/N=C/",-12.435540095363583],["-c2nc(Nc3ccncc3)",-12.435630829360289],["-c2onc3c",-12.435848409962942],["/C=[N+](",-12.435890884842763],["N1CC[C@H]2OCC",-12.436103350371594],["c1nnnn1C1CC1",-12.436153530305234],["c1ncn(-c2ccc(",-12.436211107977948],["c2cc3ccc(O)cc3o",-12.436391888015711],["c3ccc([125I])cc3",-12.436873954302287],["-c2onc",-12.436874471118037],["-c2ccc3nccn3c2)c",-12.436932327494402],["c2ccc(O)c(C)c2)",-12.437250073829327],["c(-c2nn3c(C)nnc3",-12.437461943954162],["(-c3ccc(O)cc3O)c",-12.43788442805776],["H]1CC[C@@]13C[C@",-12.43798741623488],["1CCN(Cc2nnnn2",-12.438054272612954],["NCC2CCCO2)c(",-12.438330363794003],["sc(-c3cc[nH]n3)c",-12.438525833802364],["c1n[nH]c2c1C(=O)",-12.438855930832188],["2cc3[n+](cc2c1OC",-12.43930647925892],["2[n+](c",-12.439688521925223],["]2(C)C3=CC(=O)",-12.439790241409856],["O1)[C@H](",-12.439818646075956],["c(C23CCCC(C2)N(C",-12.43987952018521],["N(CC=C)C(=O)",-12.43998570507707],["cc(C2CN(C(=O)",-12.439992854073214],["-c2ccc3occ(-c4cc",-12.44006704407576],["[C@]13CCCC[C@@H]",-12.4402868001016],["cc(-c2nn3c(c2",-12.440330747219932],["@H]1CO",-12.44042293148378],["c2OC)C1",-12.44043475384172],["c1nc(OC)nc(",-12.44051055760275],["Cn1c(-c2c",-12.440564407714158],["CN(C4CCCCC4)C",-12.440749453146186],[")N1CCc2c(ncnc2",-12.440797501453634],["2CCCc3cccnc32)",-12.440998626911744],["O)c1cn(-c2nccs2)",-12.441055124081736],["1-c1ccc(Oc2nccc3",-12.44110251412017],["nc(-c2nc(C)cs2)c",-12.441170999053892],["C/N=C(/N)Nc1n",-12.441250044700588],["c2cc(Oc3ccc(C(F)",-12.441260014662008],["[O-].[K+].[K+]",-12.441298144831723],["c1sc(Nc2ccccc2)n",-12.441364966409097],["H]3[C@@H](CC=C4",-12.441452088780691],["CCNc1cc(N2CC",-12.441558315419927],["c2cnn(-c3ccccc3",-12.441680806138129],["CC/C(C(=O)O",-12.441786503454438],["3c(cc(OC)c(OC)c3",-12.441826540713434],["Nc1nnc(C2CC2)s1)",-12.441939986153582],["cc2[nH]nc(OC)c2c",-12.442029275437797],["Cc4c(n(c5cc",-12.442156003123213],[")(N1CC1)N1CC1",-12.442171926281969],["H3]",-12.442178205432835],["▁Nc1nc2oc3ccc(C4",-12.442179287542809],["H](CC[C@@]21C)",-12.442215903332528],["I])c",-12.442324032020473],["N3CCC2CC3)c1",-12.442341539014132],["C[C@H]2[C@H]3[C@",-12.442360713542842],["4c3CCC4)",-12.442421265343004],["[nH]c2cccc3c2c1",-12.442839800319064],["[C@H](CC(N)=O)N",-12.443409464115213],["CC(=O)NCCC1CC",-12.443554332967576],["=O)Nc2nnc(CC)s2)",-12.443657862993843],["c(-c2ccccc2)[n+]",-12.443716441539705],["NC(C)=O)OC3=O)cc",-12.443752114331511],["N2C(=O)CC(N3CCN(",-12.444094515064313],["c3c(OC)c(OC)cc",-12.444149910740729],["C(NCc2ccccc2)=N",-12.444984692138048],["▁CCn1ncc2c1CC",-12.44550793669314],["3CCCCC23)",-12.44552945508368],["▁Cc1cc(C)c2oc(",-12.445750391852618],["c1nn2c(-c3ccccc3",-12.446438521949611],["c(/C=c2\\s",-12.44675479028667],["=CC=CN2",-12.44676912460871],["Nc2nc(-c3c(C)nc4",-12.446827941751431],["c(OCCCO)c",-12.446868082487786],["c1nn(C)c2c1CS",-12.447026129187927],["ccc2c(N3CCNCC3)c",-12.4470376990788],["OC(=O)Nc1nc2cc(",-12.447052642277288],["(Cc3ccco3)C2=O)",-12.447103873720904],["n1nc(-c2cnc(N)c",-12.447909810866264],["▁O=C(CCc1nc2ccc",-12.448015453864896],["1(C)Oc2ncnc(N)c2",-12.448145702907008],["([C@H]1C)C2(C)C",-12.448148079483389],["c1nc2sccc2c(=O)",-12.448176707887663],["CCN(N)c1nc2cc",-12.44872017021012],["2cc(Cl)ccc12",-12.44897915300572],["c1ncc2c(n1)CCN(",-12.449287852471814],["4=NCCN4",-12.449694204947882],["CC(O)=C1Sc1ccc",-12.449824188442316],["CC2SC(=O)NC2=O)",-12.4500810425858],["3C[C@@H]4CC[C@H]",-12.450120050563088],["1CCC3)CCC2",-12.450319969534435],["n1cc(-c2nc",-12.450516687093474],["C[C@H]2CN(c3cc",-12.450569171724938],["s/c",-12.45075917807257],["(-c2ccccc2)cc(",-12.450916285365324],[")OC(C)(C)C=C4",-12.450960819736633],["▁Nc1nccn2c(-c3cc",-12.451090323580493],["CCc2ccc(OC)cc2C1",-12.451277463304033],["(CNC(=N)N)c",-12.45161056399528],["cc(-c2cnc3nc",-12.45177032500919],["2cc(Br)ccc2n1",-12.452149535632646],["c1cc(N2CCCCC2)n",-12.452163397939284],["3ccccc3c2)o1",-12.45242911298916],["=c1/sc",-12.452761489016796],["(OC(C)(C)C(=O)O)",-12.453329059586707],["2c(c1)C(=O)CC1(C",-12.453489393290756],["C(=O)CSc2n[nH]c(",-12.453722124355478],["=C2\\SC",-12.45382571247788],["1(C)CC(=O)C=C(NC",-12.454177223403114],["=C(N2CC2",-12.45434682083051],["(-n3ccc4ccccc43)",-12.454419161127094],["(-c3csc4ccccc34)",-12.454425552904258],["[C@@]2(C(=O)O)C",-12.454466130615014],["n1ccccc1=",-12.455154292591146],["nc2c(Cl)cccc2c1",-12.45517030207962],["Nc2ncc3c(n2)CC",-12.455566744755217],["c(O[C@@H]3O[C@",-12.455569763760092],["3O[C@]4(C)CCC1",-12.455602082949728],["[C@@H]2CN3CCc4c",-12.455658347668628],["cc(-c2nnc3ccc(N",-12.455863711557155],["cc2c(N)c3cccc(",-12.455950884480105],["2CCCCO2)",-12.455994438244582],["nc2ccccn2",-12.456610554411707],["c5c4)n3",-12.456647453423647],["n1c(N)nc2cc(",-12.45691533015411],["OCc2c1cc1n(c2=",-12.457385985088193],["c(N2C[C@H]3CN",-12.45768971031925],["N1C(N)=C(C#N)C(",-12.457901363000076],["CCN(O)C(=O)C",-12.45799256450459],["4nc(-c5ccc",-12.458101900965056],["C2=C1C(c1ccc(F)c",-12.458208621810236],["▁CCC(C)n1c",-12.458383946081824],[")(C1)",-12.458412536913029],["n1cc(/C=C/C(=O)N",-12.45859578326518],["COc1oc(=O)c2cc(N",-12.458615874651452],["c(F)c(-c2",-12.458768864387366],["(-c2n[nH]c(N)n2)",-12.459346160676954],["COc2ccc(C(=N)N)",-12.45935294070969],["n1ncc2c(=O)[nH]c",-12.459426515713952],["c2ccc(-n3ccnc3)n",-12.459961083092288],["cc(-c2cc(Nc3ccc",-12.460162181853258],["]4(C)CC[C@@H]3",-12.46020000870057],["c1cc2[nH]nc(N3CC",-12.460365802048486],["nc(NCCO)nc2",-12.460514425437166],["N(Cc2ccoc2)C",-12.46087830479619],["N1CC(C(=O)N2CC",-12.461057525766956],["[nH]c3=O)C2)",-12.461136772120554],["c[n+](C(C)C(=O)",-12.461136949021252],["n2c(-c3ccncc3)n",-12.461242723652871],["C1(C)N=",-12.461405090046028],["c2[nH]c3cnccc3c2",-12.46167570569473],["c(-c3nnc4n",-12.46185855235733],["(-c4ccncc4)c3c2)",-12.462330309186289],["N=C(c2ccncc2)OC1",-12.462369667628089],["NC2=NCCC2)",-12.462400399917028],["nc(N)n3)c(-c3c",-12.46263928844443],["cc2)=COC12CCN(C",-12.463424534886146],["-c2n[nH]cc2-c2cc",-12.46374376637426],["c2ccnc(N)c2)",-12.46380488676306],["c(-c1ccccc1)n2",-12.463816720408824],["c3ccc(F)cc13)",-12.463843898874968],["(=O)c4ccccc4o3)c",-12.463956178941691],["▁CCc1ccc(-n2nnc(",-12.464336999030447],["(=O)c2c(nc(/C=C/",-12.46442787499698],["c2ccc(C3=NCCO3)c",-12.464567222998928],["[C@H]2CCCN3CCC",-12.464606071900253],["Oc1cccc(-c2cn3c",-12.464623621995669],["sc3c(c2c(=O)o1)C",-12.465089689847735],["ccc(-c2cn[nH]c2)",-12.465218198231891],["/N=C(/NC#N)N",-12.465284753796604],["C2(CCC1=O)CCN(C",-12.465297810838509],["CNCCCP(=O)(O)O)c",-12.465396426682297],["C(c4ccccc4)=",-12.465417957810246],["C4)c(C#N)c3)n2)",-12.465511462059649],["(=O)OC1CCN(C)CC1",-12.46552828785236],["3ccccc3s2)CC1",-12.465691878113937],["nc2sc(C)c(C)c2c1",-12.46574862011379],["2CCC(O)CC2)c1",-12.466394976713069],["c1ccc(-c2cncnc2N",-12.466572879785206],["n3ncc(C#N)c3",-12.466664494241297],["(Br)c1)C1=C(O)",-12.466708360477988],["▁CNc1nccc(-c2cc",-12.46677008993967],["Sc1ncccc1C(=O)NC",-12.466828951404691],["2c(Cl)cccc12",-12.46713970985847],["CCc2c[nH]cn2)n",-12.46737051414574],["n2nc(CCc3nc",-12.467562220565334],["nc(-c2cccnc2)no1",-12.467944019158873],["c(-c3csc(N)n3)c",-12.468414219623495],["@H]3c4ccc(O)cc4",-12.46875047436532],["Cn2c(C)nc3c",-12.46884912053416],["cc3[nH]nc(-c4c",-12.469308281740384],["c(-c2cccs2)nc2c",-12.46957949618008],["Cn1c(Cc2ccccc2)c",-12.47016057374072],["c(F)ccc2c",-12.470262533232072],["CC1(C)C=Cc2c(c",-12.470647534306766],["(=O)OCC)C(=O)OCC",-12.470684538191453],["c(C2SCC(=O)Nc3",-12.470828741777334],["cc(=O)oc2[nH]",-12.470955836484622],["cc(C4=NCCN4)c",-12.47101574131873],["1nc1ccccc1c2",-12.471059872168956],["(=O)N1CCC2(CCN(C",-12.471227047638024],["(-c3cc(C(=N)N)cc",-12.471372677208867],["cc(-c3cccnc3)n2)",-12.471410984411015],["Cc1csc2nc(-c3ccc",-12.471468434123114],["c(C3CC3)n[nH]2)",-12.471525657032949],["oc2cc(OCCCN3CC",-12.471695368301445],["-c2cncc(OC",-12.471755368175844],["c2[nH]c(-c3nc(C",-12.471769718104849],["c3c(N4CCC",-12.471858285554749],["Cc2nc3c(F)c",-12.472086603423705],["c3n[nH]c4ncc",-12.472423810402985],["(SC(F)(F)F)cc2)",-12.472542350437692],["c(C(=O)N2CCCC2)c",-12.472854992235009],["c1sc(N2CCOCC2)n",-12.472949771438406],["2nc2ccccc2c3",-12.472992362966156],["(O)[C@H]2O)c2nc",-12.472999436107806],["(O)=C/C(=O)/C=C/",-12.473323968094553],["cc(-c2ccc3occ",-12.473628416983251],["N3CC[C@@H](O)C3)",-12.474087162109528],["▁CC(Oc1ccc(Oc2c",-12.47419370240157],["c(-n2c(S)nnc2",-12.474257723596716],["c(-c2[nH]nc3c2C(",-12.474456888161882],["nc2n3CCCCC2)",-12.47512805661579],["▁CCNCCCNCCCNCCC",-12.475209270970506],["Nc2ccc3c(c2)N(C)",-12.475299046079645],["Nc2nc3nonc3nc2N",-12.475902645854706],["c3c(ccc[n+]3",-12.476313719955398],["2[nH]nc(-c3cccc(",-12.476473439098964],["N(c3ncnc4[nH]c",-12.476621238469257],["CCc1nnc(Cc2c",-12.477033807631436],["c3ncnc4sc",-12.477194793071858],["c(C(C)(O)c2nc",-12.477379606995353],["-c2nc(N)sc2-c2cc",-12.477963839093649],["c1cccc2[nH]cc(CC",-12.478010385665057],["sc2ccccc23)",-12.47886713453933],["(Cl)c2c1NC(C)(C)",-12.479173519481185],["C(=O)c2cccnc2O)",-12.479354117598763],["▁c1cn(-c2cc",-12.479390591572995],["CCO2)cc2n1CCc1cc",-12.480436765387068],["1)-c1ccccc1C3",-12.480763932700851],["Sc1nc(O)c2c(n1)N",-12.48078018159895],["C(=C2CCNCC2)c2cc",-12.48086428387775],["c4cscn4)",-12.48107094076942],["CCCC12CC1(C(=O)",-12.48136447635629],["▁CSc1nn2cc(-c3",-12.481384253332074],["CO)S2)c(=O)",-12.4815497994135],[")nc2N)c(C(C)C)c",-12.482156576062078],["c(Oc2cncnc2)ccn1",-12.482282361983485],["N2CC[C@@H](N)C2)",-12.482348636543923],["▁Cc1ccc2c(=O)c(",-12.48253834243454],["nc3cnc4ccccc4",-12.482797414737169],["c3cccnc23)-c2cc",-12.483427400898286],["c(Nc3ccnc4c",-12.48370910590324],["(/N=C/N(C)C)",-12.483795547706386],["cc2[n+]1CC",-12.48426263916977],["▁Cc1nc2n(n1)CC(N",-12.484327539516809],["=CCC/C(C)=C/CC",-12.484704913517929],["Nc2[nH]cnc3n",-12.485086373790242],["3ccccc3n3c(=O)c",-12.485110296081942],["nc3ccc(F)cc3c2",-12.48528346470017],["c(-c4ccccc4C)n",-12.48615786551234],["N1CCOC(O)(c2ccc",-12.48636781559108],["(=O)c1cc(Cl)c(OC",-12.48672763544356],["nnc(-c2cccs2)s1",-12.486761861470416],["▁CN1CC(O)(c2ccc",-12.486810024800874],["H](O)CCN3C2=O)c",-12.487791881472273],["C2=O)c(C)n1-c1cc",-12.487866255807315],["2C(=O)[C@@H]3[C@",-12.487903898256558],["[nH]c-3n2)",-12.488666725830566],["▁CCCCC12CCC(=O)C",-12.488711905312917],["c2cccc3c(N)",-12.48871435434927],["c(=O)c1/N=N/c1cc",-12.488827896042576],["nc2c(c(C)nn2C)c",-12.488851014045167],["CC2=C[C@@H](O",-12.489077846548795],["1O[C@H](CS",-12.489079404866123],["2nc3ccccc3c-2c",-12.489431393824937],["cc2-c2cnc3[nH]cc",-12.489524255099187],["Cc1nncn1C1CC",-12.490047404863567],["C[C@@](N)(",-12.490141311576298],["c1cc2c(cc1OCC)C(",-12.490286364556338],["3c(Cl)nc(N)nc32)",-12.49052803205408],["c(Oc2cncc3sc(",-12.490752348162973],["c2)(Cn2ccnc2)O1",-12.491149493746327],["CC[C@](N)(",-12.491287160834712],["CSc1ncnc2c",-12.491388511202658],["COC(=O)Cc1ccsc1",-12.491902804552428],["▁N=C1S/C(=C\\c2c",-12.492140286071589],["c(CN(CCO)CCO)c",-12.492325382916384],["n3nc(C)cc3C)C2)",-12.492636204931625],["1CC[C@H]2[C@H](C",-12.493067978844268],["1C[C@H]2[C@@H](O",-12.493896886071518],["(c1)c1c(n2CC(O)C",-12.493977084060464],["e",-12.49406051433292],["-c2ccc(F)cc2)oc1",-12.494136195813368],["N(CCCN2CCOCC2)C",-12.49415313359351],["CCCc1cc(=O)oc2",-12.494497550574293],["13)-c1ccccc1C2=O",-12.49545496277683],["CCN(c2cccc(-c3",-12.495593714447931],["(C)(C)[C@H](O)CC",-12.495599348111774],["3CC=CCC3C2=O)cc1",-12.495949764900203],["▁N#Cc1cccc(-n2n",-12.49620893932392],["(C)(O)CO)",-12.496258800176076],["cccc5[nH]4)cc3)c",-12.496667928614166],["CO[C@@H]1CC[C@",-12.49676144546156],["▁CCc1c(-c2ccc(N",-12.496815820023564],["Cc3coc(-c4ccccc4",-12.49685754177996],["nc2c1ncn2C1CC",-12.497132880732636],["(O)oc2ccccc2",-12.497226618892988],["Nc1nc(C#N)nc(N",-12.4973874362722],["c(c23)-c2cc(F)c",-12.497746214045458],["(-c2cccs2)nc2cnc",-12.497882080745772],["OC(=O)C1=C(N)Oc2",-12.497925190449852],["N2CCS(=O)(=O)N=C",-12.498032085955572],["C=C(F)[C@H](CO)",-12.498121099479343],["▁CNCC[C@H](Oc1c",-12.498193016344503],["=C(NC(C)=O)C(=O)",-12.498242657996055],["C2Cn3c(nc4c",-12.498267091290224],["cc(-n2ncc3c(N4CC",-12.49834392119641],["CC[C@H]2CN3CCc4c",-12.498344024349407],["CN(C(=O)C2CCC2)C",-12.49857105262994],[")N1CC(c2nc(-c3c",-12.49868040409508],["▁NC(=S)N/N=C(",-12.498865331071094],["C(n1ccccc1=O)=CC",-12.498953671636388],["▁CCCCCn1c(N)nc2",-12.498995847521345],["ccc2cc(OC)ccc2c1",-12.498997128348083],["=[N+]=[N-]",-12.499124849455326],["3=NCCN23)cc1",-12.49920157625187],["(=O)C(C#N)=C[C@",-12.49929401481018],[")N(O)Cc1ccccc1",-12.499303494824424],["C2=C(c3cn(C)c4cc",-12.499330956172608],["CCn2c1nc1c2C(=O)",-12.499447245137285],["c1onc(-c2ccc(F)c",-12.499680972271268],["2c(Nc3ccncc3)nc",-12.49978036807006],["#Cc1ccc2c(c1)-c1",-12.50005782189126],["N=C(CS)NC",-12.500366920984908],["(OCCN2CCOCC2)",-12.500414283013168],["[C@@H]1CC=C2n1cc",-12.500762243438858],["sc2ccccc2[n+]1CC",-12.50125504513606],["c3[nH]nc(-c4cc",-12.501395240647474],["1CCC[C@@H](N)C1",-12.501745205462054],["▁CCCn1c(C)nc2c(",-12.501849941189295],["sc2nc3c(cc12)C",-12.502129919609066],["c4nonc4",-12.502161394391443],[")[C@H](N)[C@",-12.50219486292166],["5ccccc5s4)",-12.502307364125002],["(C)(C)OC3",-12.502375729920686],["cccc4C3=",-12.502750283522037],["nc(-c2ccncc2)s1)",-12.50282806913382],["3C(C)(C)CCC[C@]3",-12.503409364101536],["cc(-n2cc(CO",-12.503455527302007],["c(/C=C2\\NC(=S)N(",-12.503683555521324],["4ccccc4)c3=O)",-12.503796210855462],["(C1)c1c(O)cc(C",-12.504161170524966],["c(CN2CCOCC2)c",-12.504198184737618],["CCCn1c(=O)c2c(nc",-12.504499726815505],["n1cc(-c2cnn3c(N",-12.504683796963658],["2CCNCC2)nc1",-12.50493765258989],["2CC[C@H](C1)N(",-12.50525720516721],["OCC3CC3)c2",-12.505469553004778],["3c4ccccc4CCc4c",-12.50564003843134],["Cn1c(SCC(=O)O)n",-12.505720508351954],["NCC2(O)CC",-12.50635092071897],["N1C(=O)COc2cc(CN",-12.507009865384209],["c4ccc(C)o4)",-12.507219925633349],["3c(c2)OCO3)c2nc",-12.507562361863233],["▁CCCCCC/C=C\\CCCC",-12.507671451680222],["ccccc2)c(=O)n1",-12.50826065145099],["Nc2nc(-c3ccncc3",-12.508341319714184],["c2c(N3CCCCC3)n",-12.508432189271414],["nc(-c2ccco2)nc1N",-12.508449343996444],["c(-c3cc(-c4c",-12.508539462308256],["c2c1cnn2-c1cccc",-12.50901303140329],["c(C2CCCNC2)cc1)",-12.509046154102457],["=O)c2cc(N)c(N3CC",-12.509090102820572],["c(-c3ccc(-c4nn",-12.509264394105465],["c1nc2ccc(Cl)cn2",-12.509531041737024],["c2c[nH]cc2-c2ccc",-12.50955829966722],["nc(N3CCNCC3)nc2",-12.51017819277774],["c1sc2ncn(CC(=O)N",-12.51029293540331],["c(-c2nc(C3CC",-12.510387839988352],[")[C@H]1CN[C@H](",-12.510655353684763],["C[N+]1(CC",-12.510856454345564],["c(-c2cnn3c(N)c",-12.510960740262412],["3ccoc3c",-12.511036148323534],["c2nc(O)c(-c3cccc",-12.511317827696155],["NC1=NC(=O)[C@H](",-12.511511203119351],["3ccccc3c2)nn1",-12.511599784189118],["cc3)cnc2N)c",-12.511668087626724],["c(Oc2ccc3ccccc3",-12.512056765336323],["=O)n4c(nc3c2)CCC",-12.512072190501184],["▁C/C(=N\\Nc1ncnc2",-12.51207364430201],["▁CCCNC(=O)c1c(N",-12.512147354358628],["2ccccc2o1)N1CCN(",-12.512267258285084],["c(-c3nnco3)",-12.512590683317873],["2ccncc12",-12.512641809066835],["C(=O)NC(=N)NCCC",-12.512760326837828],["Oc3cc(O)ccc32)",-12.512825375068443],["(C2CCNCC2)cc",-12.512924400161207],[")c1sc2ncccc2c1-",-12.512975849860013],["cc2ncnc(Oc3ccc",-12.51315282405352],["2[nH]cc(CCCCN3CC",-12.51317505052632],["c2nc3ncccn3",-12.51339714025818],["N3CCn4c(nnc4",-12.513499768335285],["C(C1)c1ccccc13)",-12.513502583960342],["c4)n3)c",-12.513552361216586],["NC(=S)N/C1=C/c1c",-12.513569835391747],["CN1C(N)=NC",-12.51393167795884],["nc(C)nc(Nc2c",-12.514240521086029],["2CN3CCc4c",-12.514418143325226],["1CC2(CCCCC2)C",-12.51446414254576],["cc(-c2c[nH]c(",-12.514604331520475],["CNC(=O)Cc1c(C)",-12.514654610614487],["NCCCc1cccc2nc(",-12.514827725747406],["/N=C2\\CN3CCC2C3)",-12.515035337111687],["4C[C@@H]3C4(C)C)",-12.515109255437384],["](CCc2ccc(Cl)c",-12.515300388849171],["CCCCCCCn1ccc(=N",-12.515347383854284],["CC(c2ccn[nH]2)C",-12.515420822972388],["[C@@H]4[C@](C)(C",-12.515794923664243],["C2(CCN(CC3CC3)C",-12.515938425421655],["/N=c2\\ssnc2Cl)c",-12.51596359541007],["4nnn",-12.51604648036744],["c(C)nc(Oc2c(C)cc",-12.516072646994632],["(=O)OCCCc1cccnc1",-12.5166607558574],["c1nccc(-c2cccc(N",-12.516779811888902],["cc(C23CNCC2C3)",-12.516799104611096],["CC(c3nccn3C",-12.516918707467],["▁O/N=C(\\CSc1ccc",-12.517409896516142],["n2c(=S)oc3cc",-12.517462572981612],["cc([C@H]3C[C@",-12.517851964325788],["(Oc2ccc(F)cc2F)c",-12.51793089154407],["#CCN1CCOCC1",-12.518050991034732],["@H](OC(CC)CC)[C@",-12.518427034308544],["c(N)ncnc23)",-12.518972412823086],["1N=C2/C(=C/c3ccc",-12.5192534337031],["c(n2)N",-12.519629829123216],["C/C=C/C=C/C#CC#C",-12.519994135028274],["c1ccc2c(c1)C13CC",-12.520221626804664],["[nH]nc(-c4cc(N5C",-12.52022551490295],["C2CN(Cc3ccccc3)C",-12.521009236988016],["+3]",-12.521776402374297],["C2C3CCC4=CC(=O)C",-12.522093456650868],["ccc(c43)[C@H]2C1",-12.52216256484281],[")c2cccc(C)c2n1",-12.522197225760609],["N1CC(=O)C(c2",-12.522292185917676],["Cn1nnc2c1C(COC",-12.522433832684024],["c3cccc(C)n3",-12.522532213920716],["cc(C[n+]2ccc(C",-12.523031621859587],["N2CCC(CNC(=O)N",-12.523085082573822],["c1ccc2[nH]c3cnc(",-12.523230449408922],["(N4CCOCC4)cc3)n",-12.523243735828636],["nc(N)c34)cc2)",-12.523322674885367],[")N(C1CCCCC1)C1CC",-12.523834038324082],["CCC[P+](C",-12.524244699368635],["▁Nc1c(-c2",-12.52445061729358],["c4[nH]cc(c34)CC2",-12.524989943994196],["(-c5cnc",-12.525096884155689],["(O)c(CC=C(C)C)c",-12.525237024840926],["23CC4CC(CC(C4)C2",-12.525625122641197],["OP(=O)(O)O)[C@",-12.525651855706062],["(-c3ccc(N)cc3)nn",-12.525714729147648],["nc(Oc3ccccc3)nc2",-12.526547513434837],["N2C(=O)NC3(C",-12.526623978649104],["c2cc(OC)c3c(c2",-12.52672507163495],["(C3O[C@H](CO)[C@",-12.527249708317552],["3CCCC(C)C3",-12.527296714082611],["O=[N+]([O-])c1cc",-12.52742951594558],["C(=O)/N=c2\\sc",-12.527959618076146],["CCCCCCC#CC#C",-12.528068537578532],["(-c3ccc(/C(N)=N/",-12.528352384311583],["[C@H]1C(C)(C)CCC",-12.528434874496376],["c2c(N)c3c(nc",-12.528492583952104],["3c(C)cc(C)nc3",-12.52863374588215],["cc1-n1cc(-c2ccc",-12.528995906299413],["(Cl)c3o2)",-12.529264225582365],["(-c4ccccn4)n3",-12.529364906731177],[")\\c1ccc2ccccc2",-12.529606572696554],["H]4CC[C@H]3N4)c",-12.52979391790396],["2CCCCN2C(=O)c2cc",-12.529984078480974],["cc(-c2cc(COc3ccc",-12.530121788360098],["ncc1C(=O)N1CCCC(",-12.530497453302226],["[C@H](n3cc(",-12.530588483073544],["CCN=C2c2cccnc2)c",-12.530673934128366],["(C1=O)[C@H](",-12.530715926837594],["C(F)(F)F)cc2)c(N",-12.53082229744302],["cc(C#CC#CC2CC2)c",-12.531000961170736],["N4CCCCC4)CC3)s2)",-12.531095615947134],["c1c(C(=O)O)sc2nc",-12.531115448077912],["#Cc1cn([C@H]2C",-12.531599168375235],["NC(=O)C2CCC(=O)",-12.531969241003244],["2ccccc2nc1",-12.53284981111217],["3c(cc2[n+]1[O-])",-12.532853463849293],["2c3c(cccc13)CCC2",-12.533046372311375],["c(OC4CCCC4)c",-12.533312262356205],["CCN1c1cnccc1C1CC",-12.533566718918822],["c(N5CCOCC5)ncn",-12.53361403749652],["c(OC[C@@H](O)CNC",-12.533942500120586],["c2cc3c(-c4cccc(N",-12.534037949167406],["c3[nH]c(=S)[nH]c",-12.534311877870346],["CCNc1cc(C)nc2c",-12.534733710063804],["c(-c3noc(-c4cc",-12.534907607464206],["cc23)-c2ccccc2N1",-12.53496118357082],["3C)[C@@H]1CCC2=O",-12.53528672195517],["CCCCCC(C)(C)c1nn",-12.535367567555811],["cc(-c2cncc(NC",-12.535388354836211],["c(CCC)n",-12.53584382944306],["2c(c3ccccc13)",-12.536168359703469],["c1nn2c(-c3ccco3)",-12.536396014715365],["NCC2c3ccccc3CCN",-12.536579009514686],["N2CCN(Cc3c[nH]c",-12.536586411543263],["3c(c2c1=O)CCCC3",-12.536969008242783],["c3ccsc23)",-12.53748046208023],["1CCC(CNc2",-12.537507869683232],["cc2c(c1)cc1n2CC",-12.53776682804618],["n(C2CC2)c2cc(N3C",-12.53796159568432],["c(c23)N",-12.538161598465058],["CCN(CC)CC#CC",-12.538167429247776],["CC2(CC1)COC",-12.538468031647618],["cc2cc3c(cc2nc1SC",-12.53871219195905],["(=O)NCC1CN(c2ccc",-12.538878118466478],["5ncccc5c4)n3n2)c",-12.53894280308903],["c(Oc2cc(C)cc(O",-12.539248311648574],["(NC2CC2)c2ncn(C",-12.539297131996356],["sc3c(c12)CCCC3)",-12.53985887663696],["▁CN[C@H]1CCN(c2",-12.540032975175729],["(O)cc(C)oc2=O)",-12.540331035941982],["(C(=O)NCCCO)c",-12.540415093173792],["c(Nc2nc3c(s2)C",-12.540698692267208],["3c(c2)NC(=O)C(C)",-12.540873744522234],["cc(-c2nc(Nc3ccc",-12.541168639025642],["/C(O)=C1/",-12.541207470258673],[")N1CCC(N2CCCC2)C",-12.541250455162952],["C(/N=C2\\CCCC",-12.541293752862028],["Oc1ccc(/C=C2\\SC(",-12.541766334234763],["23)OCO5",-12.542038916011345],["2CCC3CC2",-12.542232017729429],["2c(c(N)",-12.542232546546948],["(Cl)cc(Cl)cc1CN",-12.54237203446887],["n1c(CC)n",-12.542399107678524],["C(=O)C2CCCN(Cc3c",-12.54264119854199],["CC[N+]1(",-12.543181303518928],["2[nH]c(C)c(CC",-12.543447595793689],["c(CN3CCCCCC3)c",-12.543663881299986],["▁c1cnc(-c2",-12.543770782118084],["4CCCCC4)n3)",-12.544513232905553],["Nc2ncccc2-c2n",-12.54551625351546],["c2cc(O)ccc2-c2",-12.545783159367412],["c2c3cc(Cl)ccc3n",-12.546177012797225],["c2cc([C@@H]3O[C@",-12.546249693166637],["(N4CCCC4)nn23)c",-12.546274779121006],["n3ccsc3n",-12.54627553743284],["nc(Nc3ccccc3)s2)",-12.54637788645826],["N(Cc4ccco4)C",-12.546425311418249],["nc(N3CC4CC3C4)n",-12.546583192729765],["C1=C(C(=O)OC)C2",-12.546719482716629],["cc1-c1ncc(C(=O)O",-12.546866534183836],["2CCN(Cc3nc(C",-12.54699573532834],["[S@+]",-12.547244038985868],["c(Nc2ncnc3c2sc2",-12.547331109439362],["=C(C)n1c(=O)n(C",-12.547485944139956],["n2nnc(C(=O)O)c2",-12.5479769014436],["c1cccc(/C=c2\\",-12.548393065594952],["▁Cc1ccc2c(Cl)c(C",-12.548470755396275],["c(c3)OCO4)ccc2n1",-12.54876803454238],["c(-c3nc(C)cs3)c",-12.548792914048198],["C[C@]34C)C1CC",-12.548805502752224],["-c2nnc(S)n2-c2cc",-12.549148133673697],["CC(CC)Cc1ccc(OCC",-12.549483838169072],["5CCC4C",-12.549988383761736],["3ccccc13)",-12.550574693623842],["](CCCC)(",-12.550692300015797],["(=O)c1cn(C)nc1OC",-12.550862720723517],["(CNCCc2c[nH]c3cc",-12.55090133420603],["cc2[nH]nc(-c3ccn",-12.551607354880048],["4cc(C(=N)N)ccc4",-12.55174110312382],["c3c(c2)OCO3)s1",-12.551778268448713],["(OC(=O)c3ccco3)c",-12.552006022291891],["(O)c(O)c3)cc(=O)",-12.552027070364565],["OCc1cc(C(=O)N2C",-12.552033273863628],["c(-n2cnc3cc(NC",-12.552272530652353],["c(N3CCC(N4CCc5c",-12.552409689507057],["▁O=C1Nc2cc(Cl)cc",-12.553072240295013],["sc(-c2cc[nH]n2)",-12.553604410795316],["CC2)nc2c1CCN(C",-12.553634582258066],["@]3(C)CC[C@@H]2",-12.553753724116094],["3CNCCO3)cc2)nc1",-12.554458897741092],["3c(NC4CCCC4)cc",-12.554848910805331],[")-c1c(c",-12.554890544408735],["C(=C2/C(=O)N",-12.55492426931977],["(=O)NCC(c2cccs2)",-12.55517852813347],["cc2c1[nH]c1cc(OC",-12.55539719042662],["=O)c32",-12.55540144528815],["Nc1nc2cc(-c3cccc",-12.55540931841409],["c4c(=O)n(C)c",-12.555757915414771],["(C(O)CC3CCCCN3)c",-12.556288813561448],["C4C(C2)N(C",-12.556554437026312],["CN(c1ncnc3[nH]cc",-12.556600663169377],["c1cc3ccccc3nc1",-12.556760787752692],["c3nccc(c23)-c2cc",-12.556810994575706],["c(C(=S)N2CCCC2)",-12.556852545269876],["NCC(=O)N1C[C@",-12.557026067489856],["c2c(c1)nc1n2CCN(",-12.557066754377049],["N/C(N)=N",-12.557154876074668],["c(Nc3ccccc3C)n",-12.557230091927057],["c2nnn(C[C@H]3CCC",-12.557264346549712],["CC1CC(c2ccc(O)c",-12.557367928511116],["CC3(CCNCC3)C2)",-12.557544830731477],["nc(C4CCC4)",-12.55771296112814],[")NCCCCCC(=O)NO",-12.557783871904125],["nc3c2oc2ccc(Cl)c",-12.558060695215364],["4c(c3)OCO4)c2c1",-12.55811311774222],["CCC1(c2ccccc2)O",-12.558212834550591],["(C3)N4C)",-12.558301241875442],["N=C2N1CCN(C)C",-12.558312182748557],["[C@H]3CO4)nc(N3C",-12.558347491234978],["ccc4Cl)n3c2",-12.558901016231513],["(Cl)cccc2Cl)cc2c",-12.55962500683599],["CCOc1ccc(C(C)(C)",-12.559768071631291],["Cc2c(-c3ccc(Cl)c",-12.560072758469213],["(-c4ccccn4)nn",-12.560442174573303],["c3c(C)noc3C)C2)",-12.560625793598025],["(COc2ccccn2)C",-12.560679891180117],["ccccc2)c(=O)c1N=",-12.560709350004384],["c(=O)n(O)c2",-12.560825227202354],["c1nccc2c1ncn2",-12.5608779376459],["CCCCCOc1ccc(OC)c",-12.56100864840852],["c(-n2c(C)nnc2SC",-12.56107197888068],["4cc(Cl)ccc4n",-12.561257466935126],["@H]3CCCC[C@H]32)",-12.561493408347255],["nc2c1nnn2CC1CCC",-12.56152728607511],["c(N2CC(=O)C(c3",-12.561706436010862],["(N)=N3)c2)c",-12.561752760699154],["C1c2ccsc2C",-12.563354310811569],["N1C(=O)C2C3C=CC(",-12.563384545718169],["c2c(n1)sc1c",-12.563393623049183],["c4)cn23)c",-12.563407635464976],["oc2cc(O)ccc2cc1",-12.56440380966017],["c(NC(=O)c2cc(S",-12.564654230915576],["Oc1ccccc1/C=C1\\C",-12.564858384935894],["2cc(Br)ccc2[nH]1",-12.5649605282187],["Nc1[nH]c(-c2ccc",-12.565208427101076],[")N=C(N)N(C)C2=O)",-12.565325101085095],["c2nc(COc3ccc(C",-12.56536580510722],["4(C)CCC3",-12.565505215223284],["(=O)c2cc3c(s2)CC",-12.565566700352225],["co4)ncnc32)cc1",-12.565758509539044],["c(/C=C(\\C#N)n2n",-12.566201525688712],["](C)(O)c1cc2cc",-12.566221987908834],["c(O)c(C(=O)O)c1)",-12.566338489081032],["2CC3CN(C(=O)c4cc",-12.56660904317424],["4[nH]ncc4c3)",-12.566798749923027],["N3CCC(N4CCCCC4)C",-12.566861783341754],["c1nnc2sc(COc3ccc",-12.56717593465552],["▁NC(Cc1cc(Cl)c",-12.567183660943856],["3cccnc3n2)c1",-12.567251379438414],["Cl)ccc3c(=O)c2c1",-12.567595077462666],["@]2(CCN3CC2CC2)C",-12.567633339091175],["Oc1cc2ncc3c(N)nc",-12.567730350400682],["c1cc(NCc2ccncc2)",-12.568227863036103],["2sc3ncccc3c2",-12.568370880896037],["2CCN1C[C@@H]2",-12.568475653758057],["CC2CCC(C1)N2C",-12.568990107310526],["▁CN1CCC23c4c",-12.569308416997972],["2CC2)c2c(F)c(N3C",-12.569403191531974],["(OCc5ccccc5)cc",-12.570384178633155],["c(-c2nnc(SCC(=O)",-12.570616441285829],["(-c2nc(-c3ccn",-12.570632789153072],["Sc2nnnn2-c2cccc",-12.57081980809351],["1CCCC1)S(=O)(=O)",-12.570903603123456],["(O)C=C[C@@]31CCN",-12.571812709300136],["c(N(C)C)c1CNC1CC",-12.57205115423316],["-c2cnc(C3CC3)o2)",-12.572204605564014],["c(-c2nc3cnccn3c2",-12.57259719652443],["c(-c3cncn3C",-12.5726850641152],["ccc1-n1c(C)c",-12.572719096921992],["▁CCOc1cc(CN2CCC",-12.572997300553526],["CCn1c(=N)c(",-12.573069456132757],["c2nc3c(=O)[nH]c",-12.573087702147872],["cs4)C3)C2)",-12.573190524322948],["C(=O)[C@H](C)CS)",-12.573458889480255],["Cc2ccc3c(c2)Cc2c",-12.573846425765437],["3nc4n(c(=O)c3c2C",-12.57410085919502],["2c[n+](C)c",-12.574138516221064],["c1ccc2[nH]c(N3CC",-12.574177207800162],["(F)F)n2ncc(C(=O)",-12.574551233400852],["2CCN(C3CCCC3)CC2",-12.57561886875808],["2C)OCO4)c",-12.57601741698516],["c(N2CCOCC2)nc2",-12.5760238209369],["@H]2/C=C(/C)",-12.57613746328928],["CC(O)C(CO)S",-12.5761665119034],["cc(NC(S)=Nc2ccc",-12.576458590468462],["2[nH]c(-c3cccc(C",-12.576566584403414],["2CNCC[C@]1(c1ccc",-12.577010874230426],["c(CN2CCO",-12.57721604178472],["N2CCCCCCC2)cc1",-12.577651987790112],["cc(OC2(C)CCN(C",-12.577674796746956],["c1ncn2c(=O)n(C",-12.57774364813968],["c(Cl)cc1-c1cc(N",-12.577747882197189],["c(-n2cc(C(=O)O)c",-12.57804229781377],["c1cn2c(n1)sc1c",-12.57827449478329],["COc3ccc(C)cc32)",-12.578297781690733],["(CCCC(C)C)",-12.578332780050069],["▁c1ccc(Cc2nnc(",-12.579199954311727],["c2nc3c([nH]2)C",-12.579461962238843],[")c(-c2ccc(C(=O)N",-12.579465647700324],["3)[C@@H](N)C2)",-12.57951074635676],["C[C@H](C[C@H](N",-12.57993596452459],["c3c(oc4ccccc43)c",-12.58022240862948],["c(=O)oc2c(C)c(O",-12.580805767401523],["(OC)c(OC)c1OC)C",-12.580928714918189],["C(=O)CN1CCOC(",-12.581047781711144],["2CCN1c1ccc(F)cc1",-12.58110389656738],["Nc2cc(C)nc(N",-12.581387309162004],["Sc1nccn1-c1ccc",-12.581465115296956],[")O[C@@H]3[C@H]2O",-12.581476507687244],["c3ccc4ccccc4c23)",-12.58279360796545],[")cc3O2)cc1",-12.582847519977598],[")C(Cl)=",-12.58308932760774],["1ccccc1[n+]2[O-]",-12.583604040745126],["c1ccc2cc(C#N)c",-12.583639645637811],["-c2ccc(O)cc2)on1",-12.583833380527311],["[O]",-12.58386068151552],["n2cnc(C)c2)c",-12.583889903484092],["ccc[n+]2[O-])c1",-12.58427956545576],["N(C(=O)OCC)CC2)",-12.584961385734015],["c(-c2ccc(N3CC(C",-12.584992218735197],["cc(CCN2CCN(CC",-12.585179188704023],[")c4O[C@H]2",-12.585334901719378],["c23)c2c[nH]c3ccc",-12.58557122022014],["(-c3cccc(Br)c3)c",-12.585695727802284],["c2ccc(CNc3nc",-12.586112589144763],["C2Cc3ccccc3Sc3cc",-12.586488949787762],["-c1nc(N)nc",-12.586995521617965],["nc2c(C#N)c(N3CC",-12.587404243375072],["cc(/C(C#N)=C",-12.587999595097632],["N(S(N)(=O)=O)CC",-12.588316406220208],["n1c(N)nc2cc(Cl)c",-12.588812529920997],["1(CC(=O)O)CCCCC1",-12.589191701662228],["(=O)c2sc(N3CCO",-12.589512553432437],["c1cc(C)n2nc(-c3c",-12.589879032511824],["n1cnc2scc(-c3ccc",-12.589912765531531],["@H]3CC[C@H]2C3)",-12.589963803276865],["c1cn(CC)c2cc",-12.59118634500787],["▁CCn1ncc2cc(-c3",-12.591365368225343],["c(c4cc(F)ccc42)C",-12.592079439955706],["1cc(-c1ccc",-12.592186341435742],["1CC2(CCC1=O)CCN(",-12.59258753684166],["C3(CCc4ccccc43)C",-12.592689236055232],["▁CCNc1nc(NCC)n",-12.592903630686603],["c(-c2[nH]ncc2CN",-12.593041391675376],["cnc2Cl)c",-12.593271299958872],["(CN3CCNCC3)c",-12.593726605797814],[")Cn1c2c(c3ccccc3",-12.593862706011729],["2cc(C)c(C)cc2nc1",-12.593877636861595],["c(F)c(C#N)c(F)c",-12.594381499967149],["n2cnc3c(=O)[nH]c",-12.594536725032317],["cc(=O)c3c2)",-12.594701505792669],["(=O)/C(C#N)=N/OC",-12.594967464289052],["3c(c2C1)C",-12.595007065536404],["(CC1CCCC1)C(=O)N",-12.59540284876476],["CN(c2cc(N)nc(N",-12.596896187385926],["[nH]c([C@@H]3C",-12.597696984292757],["ccc(-n2cnnn2)cc1",-12.598027034415429],["3c(=O)c4ccccc4n",-12.598265436618536],["cc(CCc2ccccc2OC",-12.598281001309754],["N2CCNC2=",-12.598399232565107],["2CCC(c3nnc",-12.598720907967984],["cc3c2ccn3",-12.599332804671343],["nc(NC(C)=O)s",-12.600078492649637],["ccc2c2ccnc(C",-12.60012304601822],[")c(N)oc23)cc",-12.600212592665995],["▁O=C(O)Cn1ccc(",-12.600290566505691],["n2c1Cn1ncnc1-c1c",-12.600336728021038],["c(CN2CCC(Nc3ccc",-12.60049469312994],["CCC1CCCCC1)c1nc(",-12.600562297038053],[")ncnc2cc1O",-12.6006148373948],["(-c2ccc(O)cc2O)n",-12.600722856596994],["H](CC(=O)OC)OO1",-12.601384802222336],["4c(nnc4C4CC4)C3)",-12.601552278014564],["n1nc(C)n2c(cc3",-12.602024384169532],["[n+]2CC)C=Cc2cc",-12.602966290591729],["(=O)c2ccccc2n2c(",-12.603230084048208],["c3nsnc",-12.60391307194278],["CC(=O)Nc1ccc2nc3",-12.604533001198911],["ccc(-c2csc(C(C)(",-12.604940647311668],["1(C)C=Cc2c(O)cc",-12.604958416511977],["CC(CO)C3)",-12.605617016107471],["=CCc1c(O)ccc2c1O",-12.605823929388915],["N2C(=O)C3CC=C",-12.606026106471605],["2cccnc2n1-c1ccc(",-12.606055890063224],["c(C2=CCCN(C)C2)n",-12.606167046102756],["N1CCc2c(C#N)c(N",-12.606733317641122],["C3)[nH]c3ncc",-12.607272840676202],["(=O)oc4ccccc4c3",-12.608026509905804],["CCC(C)C(C)c1cc(O",-12.60810945497214],["(F)c(F)c1F)C(=O)",-12.608444681209058],["NC(=O)Cc2coc3cc",-12.608608685124189],["c(=O)cc1[C@@H](N",-12.608700782182767],["ccc3c(c1)OCCO3)",-12.608715372556286],["C(=N)NCCC[C@H](N",-12.60882164823872],["1(c2cccc(OCc3ccc",-12.60885463018992],["(-c2ccccn2)c2c1",-12.609507328068505],["c5ccccc5)CC4)n",-12.609672653709262],["=C(C(=O)OC)C(",-12.609718001740356],["CCn1cnnc1CN",-12.60975643395695],["cccc(F)n2)",-12.610945037833048],["nccn3c2",-12.611097064917333],["Cc1nc2c3ccccc3",-12.611278320464477],["[Si",-12.612649983942248],["c1ccc(/N=N\\c2c",-12.6127466899096],["c1c[nH]cn1)NCCC(",-12.61324807783061],["c3[nH]nnc3c",-12.613474030278542],["C=C/CC/C=C/",-12.613750450093098],["c2ccc(/C=N/O)cc2",-12.6138620458965],["c3c4c(sc3n2)CCC",-12.614148303881128],["2)C3)c2ccccc2n1",-12.615388341606934],["N2CC(C(=O)Nc3ccc",-12.6154180910968],["3CC4CC(CC(C4)C",-12.615777296590847],["H]3[C@H]2OCCN3C",-12.616254525431746],["▁C/C(=N\\OCCO)c1c",-12.616441672028111],["c1ccccc1Cn1nnc2",-12.616593970820103],["c2c(C(=O)c3cc(O",-12.616835165148196],["▁N=c1oc2cc",-12.616981115071898],["nc(C)cc2-c2cccc",-12.617055967130437],["COn1c(=O)c",-12.617271061761503],["Cc2nc3c(Cl)ccc",-12.61733771776452],["CN(S(=O)(=O)CC)C",-12.617777663322158],["3cc(C)ccc3n2)cc1",-12.617861447186812],["C(=S)N1CCN(C(=S)",-12.617872993508026],["-c3cn(",-12.617886731235195],["2CC3CC1C[C@](",-12.618711111788397],["cc3c2n(c1=O)CC",-12.618853673464333],["i",-12.619009148229456],["c3nc[nH]c3n2)",-12.619013652175916],["SC(N[C@H]2C[C@",-12.619065658920867],["1CCC(=NNC(=O)",-12.61916744734024],["CC)C[C@H](CC)[C@",-12.61921444109029],["(C)[C@H]1CC=C(C)",-12.619414297130756],["n4c(n",-12.619981925264918],["2cc3[n+](cc2c",-12.620044605987676],["n1c(C2CCC",-12.620063116469076],["CCCCCC1OC(=O)",-12.620275292237205],["(-c2cn[nH]c2)n",-12.620408514995097],["3C4C=CC(",-12.62062112675102],["CN3CCCCC3CO2)cc1",-12.62073697681538],["c2c-1nc1ccc",-12.620992834875617],["+](C)([O-])",-12.621079976848822],["1CCCc2c1n",-12.621295569575455],["=C(N)SC(N)=C",-12.621773258237807],["CC(=O)N(CC3CC3)C",-12.622091366099434],["▁Oc1ccc2ncn(-c3c",-12.622094119358286],["OC2=C1C(=O)C",-12.622423467423369],["(-c4cn[nH]c4)c",-12.62246367367052],["C(=O)c1c-2c(",-12.622642167673549],["CN2C(=O)CSC2=O)c",-12.622903051587985],["N/N=C\\C=C\\c1ccc",-12.623133053410497],["n1c2ccccc2c2ccnc",-12.623381193374849],["COc1ccc(CN2CCN(C",-12.623850953235282],["(Cl)cc4)CC3)c",-12.624048194869008],["#CCSc1nnc(-c2ccc",-12.624284425118084],["nc(N)c(N=O)c(",-12.624758318758468],["c1nc(O)c(Br)c(",-12.624837868548594],["cc12)[C@@H]1CCN(",-12.625638487998966],["n2c(S)nnc2-c2cn",-12.625693241242558],["H](CO)O2)c(=O)n1",-12.626065533690095],["(OC)c2c(c1)OC(",-12.626271969607792],["(-c4cccnc4)n3n2)",-12.62656485859319],["Cn4cccn4)",-12.6267498961421],["c1nc(F)nc2c1ncn2",-12.626848037556517],["5cccn",-12.627475449698847],["3ccccc3c(=O)c2c1",-12.627881376182758],["NC(=O)Nc1nc2cc(O",-12.627905469486176],["nc(O)c(C#N)c2c1C",-12.627955600363324],["cc(C)n2nc(CCc3cc",-12.628564087287144],["cc(-c2ccc3c(N)",-12.629101079697364],["[Cl-].[",-12.629180976022337],["cc(-c3ccc(N4CCC",-12.629563489608168],["c(C3CCCN3C",-12.629591767918717],["(=O)/N=c1\\sccn1C",-12.630014929310692],["cccc3)ns2)CC1",-12.630071015507244],["[n+]2-c2ccccc2)c",-12.63062391335038],["▁Cc1ccc([S+](",-12.631253555414164],["sc3c(c2C(N)=O)CC",-12.631445410899923],[")n3)cc2C)o",-12.63258540325053],["▁Cn1c(=O)cc(OCC",-12.632923932181887],["ccccc2)CC1)",-12.632969045016482],["▁CCCN(CCN1CCN(c2",-12.633887924610493],[")n2N)c1",-12.63389616501201],["12CCC3C(CCC4=C",-12.63391722808356],["ccc2c34)cc1",-12.634278038847452],["c(NC(=O)C4CC4)n",-12.63445413597],["2[nH]c(C3CCCCC3)",-12.634810556516069],["CNc1nc(N)c(C(",-12.635057742024864],["@H]2CCCNC2)cc1)",-12.635215454322047],["Nc2ncnc3c2sc2cc",-12.635311677458208],["(O)c3c(=O)c2OC)c",-12.63762921664227],["n([C@@H]2CO[C@",-12.63861067392798],["c(C(N)=O)c3c2-c2",-12.638781298604773],["-c3ccccn3)n2)CC1",-12.63887013403882],["n(C3CCCCC3)c2",-12.639056904804196],["ccc(CC(=O)O)cc21",-12.6391755009757],["c3ccc4[nH]cnc4c",-12.639815749263937],["c1c(Br)cc(Br)cc1",-12.640649493669873],["OC(C(O)CO)C",-12.64090024048324],["2n1CCCCC2",-12.641587766850312],["c1cc(=O)oc2nc(OC",-12.64179409867176],["c(-n2c(SCC#N)n",-12.641841865701526],["4CCOCC4)c23)",-12.641858498750924],["▁N#Cc1cc2c(nc1",-12.642023163517202],["nc3ccc(Cl)cc3n2)",-12.642715269137415],["2C[C@H]3[C@@H](C",-12.642716823404688],["C3C4C=CC(C4)C3",-12.64281575473354],["(C)n(C)n(-c",-12.642839330963564],["OC(=N)NS(=O)(=O)",-12.642958113392783],["(Nc2ncccc2-c2",-12.64349425627326],["3c(-c4cn[nH]c4)c",-12.643573484682635],["(O)c1[nH]c2cc(",-12.643603294327551],["cccn4)nnc3s2)",-12.64368543801884],["4)s3)n[nH]c",-12.643819983249726],["2ncnc(Oc3cc",-12.643958043864655],["c3F)c(=O)c1n2C",-12.644023221084694],["▁Cc1c2ccnc",-12.64404140241946],["C5)ncn4)c3c2)c",-12.64408252088935],["2(CC1)OCCc1",-12.644097785257287],["cc(-c3ccnc4[nH]",-12.64428172738139],["3c(O)cccc3c2)cc1",-12.644514534377349],["cc(Cl)c(Cl)cc1Cl",-12.64484087967426],["c3cccn3-c3cccc",-12.644852003865772],["c2cc(C#N)c(N3CC",-12.645460140615008],["CC1CCCCN1)c1cc",-12.64568537321635],["▁Oc1cc(O)cc(-c2",-12.645698752272176],["C(=O)C(N1CC1)=C",-12.645743534322836],["C(=O)c1c(C)oc2nc",-12.645793158613024],["nnn2Cc2ccccc2)",-12.645947205121736],["c1ccc2c3c(nn2CCN",-12.646341149296225],["1OC(n2cc(F)c(=O)",-12.646929855403156],["-c2ccco2)n1/N=C/",-12.647374305866082],["(N2CC[C@H](N)C2)",-12.647697608106874],["c1ccc(C2Nc3cccc",-12.647789945820575],["2CCCC2)c2c1CCn1c",-12.647984673237204],["cc(C=NNc2n",-12.648382271859235],[")c3c(=O)c2O)cc1",-12.648614508398117],["▁Cc1ncc(-c2ccnc(",-12.648639970648125],["CO)NCc1nc(-c2cc",-12.648753629298223],["c1cc(=O)c2c(OC",-12.648985882248738],["Oc2ccc(OC(C)C)c",-12.649198999235558],["CC1(C)CCc2cc(O)c",-12.649291704470368],["(C(=O)Oc1c(OC)cc",-12.649796572605904],["2c(c1)[C@]1(C)CC",-12.649815342146493],["c2nnc(C3CC3)n2",-12.649991792454284],["Cn1c(Br)nc2c",-12.651120998332011],["-c2coc3c(C(=O)NC",-12.65120839020424],["-c2nc(N)c3cc(CN4",-12.651841770576643],["(F)ccc(OCc2nc3c",-12.65274927368127],["2)C=C2c3cccc",-12.65329617162844],["(C(=O)O)cc4)[nH]",-12.65393238068678],["Oc1c(C(C)(C)C)cc",-12.654281082172709],["CO)Nc1nc(N)nc2cc",-12.654462232911884],["cc(-c3ccc(C(=N)N",-12.655653178752496],["c(-c2cccnc2)no1)",-12.655961169610388],["[Se][C@H](CO)[C@",-12.656147012096762],["C)[nH]c(CCC(=O)N",-12.658241159575706],["1(C(=O)OCC)CC",-12.65920454308773],["-c2cccnc2Oc2ccc(",-12.659343980694482],["n[nH]c4cnc(-c5c",-12.65961759224251],["cc4n3)n",-12.65990290222669],["▁Nc1nc2ccnc(-c3c",-12.659975620643175],["c4ccc(-c5ccn",-12.66048484075821],["(-c3ccc(F)cc3F)n",-12.66057475406073],["cccc4n3c2=O)cc1",-12.661076532279871],["C(N2CCCCC2)=",-12.661448151524988],["c2cn3cc(Cl)ccc3n",-12.661560553187904],["Cn1c(CN2CCCC2)n",-12.6618779487256],["cc3c(c2o1)",-12.661915044124289],["c(-c2nnc(Nc3ccc",-12.662146165273343],["3cc(C)ccc3oc2=O)",-12.663096522097243],["c1ccc2c(OCc3nnc4",-12.663247048066752],["n1c(=O)c2sccc2n",-12.6638914946138],["c(/C=N/N=C/c2ccc",-12.664094153097675],["(=O)c2cc(O)c(O)c",-12.664248462034088],["(N3CCC4(CC3)OC",-12.664401362271247],["[nH]c3ccc(Cl)c",-12.664402480276324],["(-c3cnn(C)c3)c",-12.664427852973644],["c3c(c2)OCO3)cs1",-12.665597802273032],["CCNc1ccc2ncn3c4c",-12.665651523991034],["ccc(Cl)c4",-12.665798358517913],["cc(-n4cccn4)c",-12.666504474756724],["-c2oc3cc(O)cc(O",-12.667376145801688],["(C)c2c(c1O)C(N",-12.667433669254],["2ccccc2[nH]1)c1c",-12.667485455625638],["c3c(=O)c2OC)cc1O",-12.66754524317201],["n2c(NC3CCCCC3)c",-12.667818525333072],["c1cc(Oc2ccccc2)c",-12.667859933091933],["2)nnc1-c1ccc",-12.667946328925366],["[As](=O)(O)",-12.668065237887452],["C(C)C)c(OCC(O)CN",-12.668229388914812],["c1c(N2CCCC2)c",-12.669172120568106],["n1c2ccc(F)cc2c2n",-12.669378054611224],["c(-c3n[nH]c4c",-12.669714359161002],["4CCOCC4)cc3)",-12.67065112086803],["2c(Cl)ncnc2",-12.671067417992752],["cccc2ccc(O)cc12",-12.671482058885148],["(CCCOc2c(C)cc",-12.672150937031184],["c(CN3CCC4(CC3)OC",-12.67226406358484],["COc1cc(-n2n",-12.67301987429289],["N(c2ncnc3c2oc2cc",-12.673960086300038],["c3ccc(OCCN4CCCC",-12.67484854721886],["cc3)c3c(N)nc",-12.674933755765997],["(=O)/C=C\\C(=O)O)",-12.674983641986447],["c(S(=O)(=O)CC)c",-12.675344949882],["P(=S)(OCC)O",-12.67565265261873],["-c4ccc(C)cc4)c",-12.675773249215355],["nc4ccc(OC",-12.676041120664522],["n1cnc2c(Cl)nc(",-12.676057341653769],["(c1cccnc1)C(",-12.676395768650844],["(C(=O)N4CCCCC4)c",-12.677077049226272],["CCSc1cc(OC)c(CC",-12.67727981209332],["c2c(cc(O)c3c",-12.677901890685904],["(/C=C2\\CC/C(=C\\",-12.677980688650344],["@]43C)[C@@H]1C",-12.678094273350622],["2CC(=O)NC2=O",-12.678279015812006],[")CNC(C)(C)C)oc12",-12.678392787198993],["(-c2n[nH]c3ccnc(",-12.679539497091502],["C2CC(C)(C)NC(C)",-12.67993278487197],["nc2nc(C)cc(C)n",-12.68106067516723],["=O)c(O)c(-c3cc",-12.681427016083305],["ccc4cn[nH]c",-12.681678146225089],["C4)nn3C)n",-12.681828700421404],["Nc1cc(-c2n[nH]c(",-12.681992810707222],["]1(c2cccnc2)CCCC",-12.683228865757156],["1=CC(=O)c2c(c(CO",-12.68343394003723],["[nH]ncc2CN(C)C",-12.684160286974992],["c1ccnc(-n2nccc2",-12.684579745948422],["(SCc2ccccc2F)n",-12.684687368370897],["(C)cc2oc(=O)c",-12.68478741075844],["CC(C)n1cc(C(=O)",-12.684946684071992],["-c2nc3c([nH]2)CC",-12.684957195953924],["Nc3ncnn32)c",-12.685175402175696],["▁O=C(O)c1cnn(-c2",-12.685325080139748],["/Nc2ccccc2/",-12.68572423529869],["cc2c3c(c(=O)oc",-12.685949303367993],["2CC=C(c3ccc(",-12.686282166165812],["(-c2n[nH]c(-c3cc",-12.68670456187843],["c(-c3ccc(Br)o3)n",-12.686811347272377],["C=C/C#CC#CCCC",-12.687217362803796],["cc(-c2coc(=O)n2",-12.687626284607656],["c(C2CC(c3ccco3)",-12.687775283862257],["C(SCc1ccccc1)",-12.688002656158266],["CC(OC(=O)C(O)(",-12.688169517493453],["1CCS(=O)(=O)c2sc",-12.688200478087929],["(O)C3Cc4ccc",-12.688457508370682],["(O)c5c4C2(CCN3C",-12.688515810512182],["nc(-n2ncc3c",-12.688938304501445],["N=C\\C=C\\c1ccc",-12.689292720273343],["c3[nH]nc(-c4n",-12.689365094268716],["c2c(c1)[C@H]1OCC",-12.68952137147481],["(=O)c3ccc(O)cc3o",-12.689628923077784],["(Nc1c(Nc2ccnc",-12.690157383555029],["cc43)C2C(=O)N1",-12.69092815794476],["4)C3C2=O)",-12.691345853965746],["CCC(=O)O)n2-c2cc",-12.69172576779564],["ccc(OC)c4",-12.691893589950652],["nc(O)c4ccccc4n3)",-12.69193944704187],["2CC(F)(F)C2)",-12.692221715362413],["(-c3ccccc3)nc3sc",-12.69234998346582],["C1(C)Cc2c(C#N)c(",-12.692789100466566],["Oc1cc2nncc(-c3c",-12.693795509399076],["(CC#Cc1ccccc1)",-12.6938572905099],["▁O=C(NO)C1COC(c2",-12.693992433909916],["C1=NC2(CCCCC2)N(",-12.69460486393872],[")CC2(O)C(F)(F)F)",-12.69499625695631],["Nc1sc2c(c1C#N)CC",-12.695312066490285],["(-c3cccs3)no2)C1",-12.695480017191937],[")C(CC)c1ccc(O)c",-12.696979975801392],["nc3n2CCCCC3)c1",-12.697014291260745],["C2CC3CC(C2)CC1(",-12.69706127129815],["cn(COC(CO)CO",-12.697410298070611],["1CCc2c(F)cc",-12.697649373976343],["CN2CC(C(=O)NCCC",-12.697702846533378],["Oc1ccc(Nc2c(C)c(",-12.698185347155375],["3ccccc3s1)",-12.698779866737231],["N(Cc1ccc(C)cc1)C",-12.698877357147152],[")nc3C)cs2)c",-12.699377663945032],["c(OC2CCN(c3n",-12.699704727873575],["]12COC[C@H]1CN(",-12.700770919801926],["c2ccc(SC)cc2",-12.703096785604991],["nc([C@@H](N)Cc2c",-12.703991940836692],["▁CCCCC#Cc1nc(N",-12.703997992652246],["O)CC(C)(C)CC3=",-12.705019055857647],["5)n4)c",-12.705170324255736],["=S(=O)(",-12.70526452079564],["cc(C2CC(c3c(O)c",-12.705517946990428],["2oc3ccccc3c2c1)",-12.705540890587926],["C)N=C2c2[nH]c(",-12.705954784934576],["3c(C)cccc3",-12.706040447149556],["(-c4ccccc4)[nH]n",-12.706099312869878],["NC(=S)S/C1=C\\c1c",-12.706144775363304],["c(C)cc(OC(C)",-12.706195756861348],[")c2c1CCc1cnc(N",-12.706480842946874],["2=NCCN2c2ccccc21",-12.707124254579664],["c3c(c(O)c2C1=O)C",-12.707436792378012],["3ccc(Cl)cc3n",-12.70764933098688],["](CC)(",-12.70772372135781],["4)n3c2)",-12.708190305542118],["▁c1c2c(cc3",-12.708722785977084],["2c(c3ccccc3c1",-12.70944747681232],["[C@H]2C(=O)CC[C@",-12.709760528786346],["(-c2nc3ncccn3c2N",-12.710177464085078],["(-c3cccc(Br)c3)n",-12.710457959616852],["(=O)N1CCSC1)",-12.710578857234324],["(c4ccc(O)cc4)C",-12.711904327075692],["O/N=C(/CCN1CC",-12.712290670202009],["OC(=O)/C(C#N)=C1",-12.71245793724512],["CSc2nnnn2C2CCCC",-12.713485672060916],["(-c2nnc3n2N",-12.713488025798137],["C2=Nc3cccc4c",-12.713585291857994],["CCCCN3CCCCC3)cc",-12.713778684116322],["cccc2cc1-c1csc(",-12.714265517333857],["C1CN(Cc2ccc(Cl)c",-12.715304497719549],["C3=C(CCCC3=O)N",-12.715540285406028],["COC(=O)NC1=NC(",-12.715712829112604],["NC(=S)c2ccccn2)c",-12.71632041652408],["C(=O)NN=C1c1ccc2",-12.716420198150628],["CSC(=S)NNC(=O)",-12.71647854799956],["3c(C)nc(-c4",-12.71705613545288],["2CC(C)CC(C)C2)c",-12.717686972048847],["c3ccc4[nH]nnc4c3",-12.717733213825726],["N[C@H]1CCN(c2cc",-12.718321137805717],[")c2c1c(=O)oc1cc",-12.718753711014088],["c5[nH]ncc45)",-12.71884262489553],["c2cc3c(Nc4ccc",-12.718894966881798],["2ncc(-c3ccccn3)",-12.71891730532974],["(=O)c2ccccc2n1CC",-12.719225165403088],["c1cc(Oc2cncnc2)c",-12.719454035046535],["CC(c1nc3ccc(-c4c",-12.72062236724583],["3ccc(NC(C)=O)cc3",-12.720679913428086],["c1O)CCC(C)(C)O",-12.72076694535042],["c(-c2cc[nH]n2)n",-12.72141918684579],["c(CN2CCC(n3nccc3",-12.721462130554112],["(-c3nonc3N)",-12.721701084580651],["cccc1N1CCN(CCCO",-12.721924768903405],["(C)c2c(c(O)c1C",-12.721928762567918],["nc2ccc(Br)cc2s1",-12.722711916934706],["c3nsnc23)",-12.722879347711483],["4CCNCC4)cc",-12.722966533270444],["1CCc2cc(F)ccc2N1",-12.724082628502094],["C)c(C)nn1",-12.724265704451527],["c4o3)nc2",-12.724598178745929],["N2CCc3ncnc(NCc4c",-12.724615926870747],["C1(CCCc2ccccc2)C",-12.72501061431689],["c5ccc(Cl)cc5",-12.725171455424166],[")COCC(N)=N3)c2)",-12.725352105100592],["c1c(N)sc(C(=O)N",-12.725638026384065],["(CC[C@@H]12)",-12.725979805432386],["3CNC(=O)C3)nn2",-12.726463074789446],["C1C2CC3CC(C2)CC1",-12.72665873408624],["(-n4cncn4)",-12.726685801820066],["-n2c(C)cc(/C=N/",-12.727257268575071],["C(=S)N/C1=C/c1cc",-12.727518026926804],["(Sc2ccccc2)n(OC",-12.727530928632287],["cc(N3CCOCC3)nc2)",-12.727621316267332],["c(C(N)=O)c2c1-c1",-12.727739837753536],["c2nc3c(c(Nc4cc",-12.72817880612464],["3CC4CCC(C3)",-12.728619291729125],["4CCSCC4)",-12.728633470151468],["3c(C)cc(=O)oc23)",-12.728881200620188],["4(C)CC[C@@H]32)C",-12.729039226916854],["ccs3)c2)c1",-12.729722973654656],["c3nnc4ccc(-c5ccc",-12.730184835824636],[")nc3sccn23)",-12.730689580398495],["OC4CCOCC4)c23)c",-12.731054926569946],["@H]2C[C@@]3(C)",-12.731142500073007],["c(N2C[C@",-12.73182322203231],["Oc1ccc2c3c1OC1",-12.73216468390325],["c2ccnc3cc(-c4c",-12.732456226451689],["2CCCN(C(=O)c3ccc",-12.732550384815832],["2c(c1)[nH]c1c(C)",-12.73269297633184],["c1nc(O)cc(O)n1",-12.732996996024951],["[nH]c4ccccc24)C",-12.733550480164991],["nc3ccsc3n",-12.733648054298367],["1=NOC(c2ccc(N3CC",-12.733728785835076],["=C(C)/C=C/c1c",-12.73386006475785],["4c(c23)CCCC4)c1",-12.73460875958287],["5ccnc",-12.734613505410076],["2nc(-c3ccco3)nn2",-12.734828966329609],["2c3c(c1OC)",-12.734980247465735],["/N=C/c2coc3ccc",-12.735043856402822],["c(-c2nc3cnc(N",-12.73535287122476],["2C(=O)CCC2C(=O)N",-12.735757513104677],["Oc1cc(C)c2c(c1C",-12.736330132042836],["c(CNC(C)c2ccc",-12.73665480325334],["▁c1cnnc(N2CCCC",-12.73672426813916],["3[nH]cc(-c4cnc",-12.736801807850451],["c2c(c1)OC(c1cc",-12.736965523334645],[")NC(=O)CC(c1ccc",-12.737671693233112],["cc(-c2nc3ccc(F)c",-12.737751240061826],["cc(-c2n[nH]c(C",-12.73812977007272],["2CCCC[C@H]2",-12.738646905016113],["n(c(=O)c2c1)CCC3",-12.73928103415133],["ccc2Cl)CCCCC1=O",-12.740619592634111],["OO[C@]1(O2)C2CC",-12.741727214489655],[")cc(-c3noc(",-12.74222946705154],["c2ncnc3c2sc2ccc",-12.743497997230204],["C3C4CCC(C4)C",-12.743634742654086],["1)OC(F)(F)O2",-12.744167141168765],["c([C@H]3C[C@@H]",-12.74507476445268],["4ccccc4c3)cs2)",-12.745599083726823],["Nc1ccc(F)cn1)c1c",-12.746259775024315],["OC2(C)CCN(Cc3ccc",-12.746278862734322],["2(c3ccc(Cl)cc3)C",-12.746556535785272],["5ccccc5c4)",-12.74682078268516],["=c1\\s",-12.747075853430143],["(O)c(O)c1)OCC",-12.747364239067764],["C(n2cnc3c(O)nc",-12.747672558736014],["C)c(O)ccc3",-12.748595194203688],["CN(C)c1nc(N",-12.749226844283111],["cc(-c2ccnc3c(",-12.749317458501755],["3Cc4ccc(OC)c",-12.750247061690915],["4ccncc4",-12.750387572273787],["@]3(C)CC[C@@H]12",-12.750834026611177],["c3sc4c(c23)CCC4)",-12.75179762227962],["\\N=C\\",-12.752049233209814],["1(c2ccncc2)CC",-12.75215077282527],["O[C@H]1C=C2CCN3C",-12.752198574871905],["(=O)N1C[C@@H](N)",-12.75251674958457],["(-n2cccn2)cc1)",-12.752725936032672],["=O)NC(=N)N)nc1Cl",-12.753660562574598],["3cc(F)ccc3n2)",-12.753770343121516],["Oc1ccc(C2(C#N)CC",-12.754359285525114],["ncc(-c2cncc(N",-12.754875874536046],["1CCC2(CCCN(c3ccc",-12.754954255567371],["4cc(F)ccc34)CC",-12.755249624688128],["c2cc(Cc3n[nH]c",-12.755260714760825],["▁CCO/C(O)=C1\\",-12.755267557468695],["cc2c1NC(=O)/C2=",-12.755279943285377],["N2CC[C@@H]3CN(",-12.755470598400803],["(NC3CC3)n2)c",-12.755508501946748],["-c2cccc3nccn23)c",-12.756058474745846],["(Cn4cncn4)",-12.75704830485138],["1(C)[C@H]2CC=C(C",-12.757219885028428],["c3n(c2C1=O)C",-12.75757952571307],["c1ccc2nc(NC3=NC",-12.757727292880908],["3Cc4ccc(O)cc4[C@",-12.758067142335792],["N(C(=O)CC(C)C)CC",-12.75812661416839],["5)nn23)C2CCC4C",-12.758541204419693],["CN(CC1=NCCN1)C",-12.758994674259656],["c1ccc(Br)c(C)",-12.759723623999095],["c(-n2cc(CN3CC",-12.759827701016707],["@H]3CC[C@@H](O",-12.760000503858912],["C(N3CCCC3)CC2)c",-12.760310586115043],["/C(S)=",-12.760548979393306],["N(C)CCC#N)c",-12.76063523509617],["c(=O)n3ccccc3n",-12.760900784105893],["N(CCCl)N=O",-12.761075747093976],["(N)nc2c1cc(-c1cn",-12.761123615716798],["2cc[n+](CC",-12.761590484426923],["ccc42)CCCC3",-12.761635553341256],["▁O=C1[C@@H]2[C@",-12.761997540115264],["noc(C3CCCN(C(=O)",-12.762768128441316],["c1oc2cc(O)ccc2c",-12.763257048330107],["C(=O)NCCc2csc",-12.765466047821707],["c2n(c1)cc(-c1ccc",-12.7663368655136],["(-c2ccc(NC(=N)N)",-12.767641493017146],["2ccc3cccc4c",-12.768212434944608],["cc(NC(=O)Cn2cnc(",-12.769090080025654],["▁Nc1nc2oc3ccc(",-12.76961090736412],[")=C(/C#N)C(=O)",-12.769856275839372],["nc2c1ccn2[C@@H]1",-12.769937255548228],["=C(CCN(C)C)Cc2cc",-12.769996040487856],["cc(-c2ccc3oc(",-12.770035396513506],["=C(C)Nc3ncnn32)c",-12.770967937984564],["-c3cn[nH]c3)cc2)",-12.77144763277964],["c2cn3cccnc3n2)",-12.771465342952435],["3CCNCC3)ccnc2n1C",-12.771687746468452],["cccc1OCC(O)CNCC",-12.77212221076606],["(c1ccco1)N1CCCC1",-12.772228532862233],["1CCCN(c2nccc",-12.772369701293918],["4ccc(Cl)c(Cl)c4)",-12.7724822881552],["Cn4ccnc4)c",-12.772960801494406],["3c4ccccc4C(c4ccc",-12.773317273631417],["-c2nc(CSCC(=O)NC",-12.773398944493506],["c2ncn(C3CC(O)C(",-12.77361343540538],["C2=CCCN(C)C2)",-12.773624292787456],["▁CCn1c(=O)ccc2c",-12.774468928904778],["C(=O)CCc2nnc3ccc",-12.776107213036642],["4cccc(c34)N2)",-12.776564949453263],[")cc(CC)c2",-12.776723758532118],["ccc1N1CCN(CC2C",-12.777041300503925],["2c1c(C)nn2-c1ccc",-12.777222364988898],["(=O)Nc3ccccc3N)c",-12.778593934599549],["-c2cn3c([n+]2",-12.778764369010004],["3c(Cl)ncnc3",-12.779006454247195],["N)C2)c(F)c",-12.779675381715103],["cc(CSc2nc(N)cc(",-12.780646020905916],["4CCCC4)ncnc32)",-12.7810284845919],["N(C)C)c43)c2=O)c",-12.781769584696177],["O)cc2/C1=N/",-12.782948712831589],["c(C(=O)O)cn4c3c2",-12.783902797290487],["n[nH]c4)cc3",-12.785663644234132],["F)(F)F)nn2-c2ccc",-12.785850306600432],["(-c2cccc3ncnn23)",-12.786108501721998],["c2cccc(OCC)c2)",-12.78692046480621],["c1cc(OCC2CC2)c(",-12.78746332647608],["c(-c2cc(=O)oc3cc",-12.7886241260935],["nnn(C23CC4CC(CC(",-12.788699539304297],["cc1Nc1nc(N)nc(CS",-12.789211698655285],["c(NC4CC4)nc",-12.789331889785366],["cccc31)CCC",-12.789450033198436],["1(C)Cc2c(C#N)c(N",-12.78980506317897],["4CC[C@H]3N4)cnc2",-12.790862678930283],["c(Cl)cnc3[nH]2)c",-12.791062563759091],["(CN2CCN(C(=O)N",-12.791833888673033],[")ccc3F)n",-12.792447766208737],["(NCC4CC4)n",-12.792525655939292],["N)(=O)=O)cc2)cc1",-12.793328957626192],["nn2-c2ccc(S(",-12.793647019749844],["1CCCN1c1cc(NC",-12.794050215790412],["Cn2cc[nH]c2=S)c",-12.7943916731336],["c(Cn3cccn3)n2C",-12.795899431677434],["cc(O)c(CN(C)C)c2",-12.797369146296418],["c(NCc3ccccc3)ncn",-12.797846771469942],["nc3ccc(C)cn",-12.79791177814707],["c2ccn3ncc(-c4ccc",-12.798064153262734],["C1=CC(=O)N(Nc2nc",-12.79846295365141],["c2ccc3ncc(-c4c",-12.799849921228528],["2c(C)cc(C)cc2OC)",-12.799927461724613],["C1(C)CC(=O)C(=CN",-12.801117807050057],["=O)c3cc(F)c(N4CC",-12.801869418626117],[")C1=NOC2(CCN",-12.801896731245447],["nc(-c3c[nH]c4c",-12.802346967581292],["N1CCC(c2c[nH]c3c",-12.802460402047217],["2c(n1)n",-12.803677311741655],["ccnc5)cc34)n2)C1",-12.803690166010126],["=CC(=O)CCC4(C)C3",-12.8037320782437],["ccc1-c1nc(CN(C)C",-12.805146401101869],["c(NC4CCCC4)n",-12.805147826460544],["▁Cc1coc2cc3oc(",-12.805305028393608],["2CCC[C@H]2CO)",-12.805753871860873],["5ccccc5n4)",-12.8075739416611],["3[nH]c(=O)n(c23)",-12.808211078858577],["4c(nc3c2)CCCC",-12.80827537823408],["2c(c1)[C@@]13CCC",-12.808474056427382],["/C(S)=N/N=C/c1cc",-12.8087849197055],["2c(c1C(=O)OC)",-12.80925580631176],["nc3ccccc3nc2N",-12.809873415498355],["c1nc(C#N)c(N2CC",-12.810671213153425],["([n+]2-c2ccccc2)",-12.81134056335393],["ccc2cc(/C=C3\\",-12.811846347025538],["c2[nH]c(Nc3ccc(",-12.814448432764198],["n3cc(C)ccc3n2)",-12.814555977241382],["nc3ncccc3o2)cc1",-12.814577554653502],["nc4ccc(-c5cc",-12.814788956043358],["[K+]",-12.816039977076636],["CC1S/C(=",-12.817267843897692],["2ccccc2c2ccccc21",-12.817826071312682],["4nc5ccccc5n",-12.819690859608295],["Oc1ccc2nc(O)c(CN",-12.820317842179623],["cc3Br)n2)",-12.82073186365654],["C[C@]34C)[C@",-12.821188570362658],["(B(O)O)cc",-12.82167710313585],[")c3c4cc5c(cc4ccc",-12.82179189197379],["=C(CC(=O)O)C(",-12.82216198686099],["c(CCNC(=O)C(=O)N",-12.822381058179936],["H](O)[C@H]4O)",-12.82344116086464],["c(N2C[C@@H]3CCN",-12.82347099490351],["ccc(OC)c3O)",-12.823868435978476],["ccc(Cl)c3Cl)",-12.82456042296436],["c(C2CC2)ccc1Nc1c",-12.825373202949883],["Cl)ccc3oc2=O)",-12.82683432347334],["c(-n2nnnc2-c2c",-12.82776657171846],["(-n4cnnc4)c",-12.827804945006491],["3Cc4ccccc4CN3",-12.828213371142647],["CN(C(=O)COC)C",-12.828685525161074],["cc(CN(C)C(=O)CN",-12.828751032644483],["c(-c2nnnn2-c2ccc",-12.829363559665143],["[O-][Cl+",-12.82960160530671],["c([As](=O)(O)O)c",-12.8296034783545],["(C3=CCCCC3)cc2",-12.830160453673937],["@H](CC[C@H]12)",-12.831692484447526],["ccc(C(C)C)cc1-",-12.831915274027478],["C3)cc2)[nH]c",-12.832290401236415],["H]3CN[C@H]3C2)c",-12.832660194056182],["Sc3nnnn3-c3ccc",-12.832968506764924],["C=C(C)C2=O)nc",-12.83310397165551],["c2nc(Nc3nc(O)c4c",-12.833455963668191],["C/C(=N\\N=C(/S)N",-12.833630429306105],["c2oc3cc(OC)ccc3c",-12.834763527824103],["c(Cn2cnc3c(-c4cc",-12.835556554380457],["C/N=c1\\nc(-c2ccc",-12.83561054109158],["1(C)C2CCC1(C)C(O",-12.835673992569731],["CC[n+]1ccc(C)c",-12.836031615880511],["2cccc(C)c2n1",-12.836138699944636],["c4c(N)ncnc4",-12.836209773207305],["c3c2ncn3C",-12.83669083364715],["2c(=O)n3c(nc2s1)",-12.837057593637027],["c1c(C)oc2cc(O",-12.83785072629984],["(=O)c4c3CCCC4)c",-12.837908981714284],["▁CCC(C)(C)N/C(=",-12.838027801816134],["N\\O)c1ccc(C)nc1O",-12.838733130636768],["N=C(/N)S)",-12.839269882298174],["(C5CCNCC5)",-12.839414123391734],["Cl)c(O)cc2[C@H]2",-12.839901454499053],["Oc2nc(C)ncc2-c2c",-12.8399296777274],["c(OC)c(OC)c3)oc2",-12.839979483052256],["c1ccc2nc3sc(",-12.840074709602698],["C3=NCC4(CN5CCC4C",-12.841472562715342],["C3(CCCN(c4",-12.842029811625752],["Cn1c(=O)/c(=C",-12.842921571099856],["3c(C)nc(-c4ccc",-12.843071579683157],["4ccccc4c3)c2)",-12.843744420609385],["CO1)c1cc(-c3cnc",-12.844426270970525],["=O)N[C@@H](C)CO)",-12.844953254811172],["(-n2cnc3ccc(",-12.845955262155565],["(-c3ccncc3)cc2)",-12.846089805040142],["2ccnc(F)c2)",-12.846603487514749],["c4ccccc4)nn23)c",-12.846933309865308],["c(Nc2nc(-c3sc(",-12.847075851924338],["c3onc(-c4ccccc4",-12.847919906648668],["2CCC(NC(=O)c3ccc",-12.848001916308077],["N1CCC(Oc2ccc3c",-12.848261774418331],["oc2c(C)c3oc",-12.848580286176489],["nc3nc(N)nc(N",-12.848958679228724],["3ccccc3)CC1C",-12.849269340055551],["c(N2C(=O)CC(N3CC",-12.8494693049055],["2cc(O)ccc2[nH]1)",-12.850445562814084],[")C(O)C3O)c",-12.850891334837986],["▁Cc1nc2sccn2c",-12.851645168801088],["2nc(C3CCCCC3)c(C",-12.852190017513845],["C2=NNC(=O)CC2C)c",-12.852532710812332],["ccc2)oc2cc(OC",-12.853348257890982],["cc(Oc2ccc(-c3nc(",-12.854308439574318],["c(-c4cc5ccccc5o",-12.854355455291095],["(=O)(=O)[O-])cc1",-12.85534442188991],["CC(OC(=O)C(CO)c",-12.85612901085059],["C(C4)C2)C3)cn1",-12.8567072373418],["▁CC(C)Cc1cn(-c2",-12.858280451305903],["2CCN(c3ccnc",-12.858362896867984],["1(O)CCC2C3CC",-12.858444455815338],["2ccccc2n2c(=O)c",-12.859341292754118],["-c2cn3cccnc3n2)c",-12.859427894104122],["c3c([nH]c2c1)CCC",-12.860119907322732],["(=O)N2CC(=O)N3CC",-12.86033216923823],["C=C/C(=O)NCC(C)C",-12.860607392818514],["▁CCN1CC=C(c2cccc",-12.861255596695962],["cn3c2CN2CCOCC2)c",-12.86156110158241],["C[C@H]2C[C@@]1",-12.862037899202884],["(-n3cncn3)cc2)",-12.862388898069284],["2c(c1Cl)C",-12.8646103150026],["2ccccc2n2cccc12",-12.864713668761576],["(O)[C@H]2F)c(=O)",-12.864876643069712],["c3c(c2c1)CCCC3NC",-12.865020452682913],["2c(sc3ccccc32)",-12.865947268138324],["2c(cc1OC)C(C)N(",-12.868844941154832],["c(-c3nc4ccc(F)",-12.869460994078873],["C=CC(O3)C",-12.869733826648329],["c2ccc3nnc(-c4ccc",-12.870150946605126],["c4ccncc4)c3n2)c",-12.87203233405663],["CCN(c3ncnc4[nH]",-12.872327217275217],["cc3ccccc3c2)OC1",-12.873067599295725],["1Cc2[nH]nc(",-12.874463823733231],["@H]12)C3",-12.87533696667848],["cc(C2CCCCN2C",-12.875759925278558],["ccc2)c2cc(N3CCN(",-12.875962231029384],["c2c(C(N)=O)cccc2",-12.876387005558458],["cc(-c3ncnc4[nH]c",-12.877443396427983],["-c2nc3cc(NC(=O)C",-12.877848448476328],["▁O[C@@H](COc1ccc",-12.878387351748312],["2(CCCCC2)C1=O)N",-12.87943184231024],["@H]2CNCCO2)cc1)",-12.880152123145404],["O)[C@@](C)(CC[C@",-12.882066905962294],["N(CC(=O)O)C3=O)c",-12.882217565715846],["H]1CC[C@@]13C",-12.88431702693464],["S3(=O)=O",-12.884413520320368],["CSc1nc(C2CC2)",-12.885746024104748],["(-c3ccc4nccnc4c3",-12.887174212600812],["CC#Cc1cncc",-12.888523918188572],["C4)snc3c2)cc",-12.88982802405478],["2c(nn1-c1ccccc1)",-12.89076089135669],["c2c1cc(O)c1ccccc",-12.891028511860291],["▁CC1C2Cc3ccc(O)c",-12.891058332814596],["C2CC(C)(C)Cc3c2c",-12.891445448018022],["nn3cccnc23)n",-12.891493226417085],["c1nnnn1C1CCCC1)N",-12.89266101118414],["c1nc(/C=C/c2cccc",-12.89273180995268],["c2)s/c1=N\\C1CCC",-12.892810721427072],["cc2)cs/c1=N",-12.89292700960538],["2)CCN1c1cnccc1C1",-12.893428996488684],["c(C2C3=C(COC3=O)",-12.893978325016205],["(ccc3ccccc32)c1",-12.894406426473282],["(=O)N2CCC=CC2=O)",-12.89532234764505],["12CCC3C(CC=C4C",-12.896521539215412],["(-c2c[nH]nc2C2CC",-12.896664464254853],["▁CC(C)c1nn(C)c",-12.898351102981206],["2c(cn1",-12.89852032503684],["c(F)c(Cl)c4)",-12.899441635606614],["C=N/n1c(S)nnc1",-12.89989887229266],["ccn3)s2)c",-12.900804517942424],["▁Nc1nccc(/C=C/c2",-12.901246974618402],["2c(C)[n+](-c3ccc",-12.901259605429956],["2(c3ccccc3F)C",-12.901328094821286],["n[nH]c2ccc(-c3nn",-12.90219378690488],["2CC2)c2cc(N3CCN",-12.902906634084282],["[N+]1(C)C2CCC1C",-12.904309847253312],["@H]1CC[C@@]2(O)C",-12.907677785421283],["Oc1ccc(-c2nc(N)n",-12.909602167812642],["1C[C@@H]2OCCN(",-12.91039430208053],["(C#N)ccc1-c1c",-12.910813919330025],["1CCC2(CCN(c3nc",-12.911165432526388],["c(-c4nnc[nH]4)cc",-12.911911056627526],["cc(C2OOC(c3ccc",-12.911976422450236],["(C2)N(CC2CCC2)C",-12.91239725236362],["nc1O)C(=O)c1cccc",-12.91248954454118],["Oc1cc(C)nc(Oc2c",-12.913052793607603],["C1CCn2c1nc1c2C",-12.914808790263107],["2CCCN2)cc1",-12.91605319706175],["▁O=S1(=",-12.916353211465356],["cc5[nH]4)c3",-12.916788694901769],["(C#N)c3)C2)",-12.916837962369598],["c4ccccc4O3)CC2)c",-12.917207375235062],["c1ccc(-n2c(N)c(",-12.917510167618843],["▁O[C@H](COc1ccc",-12.917580205554586],["1CCCN(C(=O)c2cnc",-12.918055696588445],["C/C(=N\\N=C(\\N)S",-12.91833930498771],["1CN(c2ccc3ccccc3",-12.918749347827326],["n4cccn4)C3)",-12.91931886090436],["(CCOc3ccc(F)c",-12.920360466451116],["c3cc4cccnc4cc3",-12.921051498432984],["3c(=O)[nH]c4c",-12.921885955784523],["(CCC(N)(CO)CO)cc",-12.92225717910694],["c1ccc(C(c2nnnn2C",-12.922318550462508],["O/N=C(\\N)Cc2ccc",-12.922639748217938],["(-n2cnnn2)cc1)N",-12.92268185167224],["(F)(F)F)cc2Cl)c1",-12.92278138127719],["c(N(C)c2nc(C)nc3",-12.923042090069629],["1[C@@H](n1cnc3c(",-12.923629425338037],["c(Nc2c3c(nc4n",-12.923752899434882],["4c(c3)OCO4)nc2c1",-12.92489360247721],["=C\\C=C\\C(C)=C\\C",-12.925075540613967],["2C(=O)C3C4C=CC(C",-12.925085507033408],["(=O)N2CCC[C@@H]2",-12.925680111516506],["c1c(Cl)c(=O)oc2c",-12.92784718355943],["4)c3[nH]2)c",-12.92848518343859],["1CCc2c(sc3ncn",-12.928998064957344],["3nc4ccccc4c-3",-12.929136704800024],["(O)cc(O)cc3O2)c",-12.92939306002126],["(-c3ccnc(C)c3)c",-12.929431129062763],["N(c2ccc(C(C)=O)c",-12.929507843064169],["4CCOCC4)c3",-12.929673070610813],["2nc(N3CCCC3)nc(N",-12.930622313820331],["2[nH]cnc2c1)N1CC",-12.931032440594828],["c(N2CCN(Cc3cnn",-12.931365668652962],["3ccccc3[n+]2CC)",-12.933717603125736],["(OC(F)F)cc3)",-12.935096250208373],["csc(Cc2ccccc2)n1",-12.93513704817246],["4ncnc(N)c34)",-12.936582986437086],["c(C)n2nc(CCc3c",-12.939163739724265],["Oc1cc(O)cc2oc",-12.93929136320414],["Oc1c2ccoc2cc2oc(",-12.93976271966918],["cc2nc(N/N=C\\c3cc",-12.94032394367484],["s1)c1cnn(Cc3cccc",-12.942571674961902],["csc(Nc2ccccc2)n1",-12.94310121880766],["(Cl)cccc2Cl)N1",-12.943307070957283],["ccc1NC(=O)Nc1nc(",-12.94360426029462],["(C)c(C)c3)c2",-12.94531045113169],["c(c1)CN1CN2Cc2cc",-12.946493708162787],["▁CCC1=CC2Cc3nc4c",-12.94689499017628],["4=CC(=O)CC[C@@]4",-12.947034279664438],["C2Cc3nc4cc(Cl)cc",-12.947079246131828],["(=O)OC(C)(C)C)C1",-12.9489074647096],["CC1CCN(c2ncnc3c",-12.948912170458328],["c(NC(S)=NCc2ccc",-12.949039771882427],["CO/N=C2\\CN3CCC2C",-12.949053960545434],["c(=O)n3ncc(-c4",-12.949187038823872],["nc2n(n1)CC(NCc1n",-12.951720174151829],["CCCN(CC)c1cc(C)",-12.951724442599202],["sc2c(c1C(=O)O)CC",-12.953287090461432],["(ccc(O)c2O)CN1",-12.953311246168688],["(=O)n(CCC)c",-12.955238615369076],["2ccccc2[nH]1)N1C",-12.955286238436182],["-c2noc(-c3cccnc3",-12.957812734915567],["(-c2n[nH]c(=S)n2",-12.958853951921828],["3c(cccc13)N=C(CN",-12.958938660531434],["1C[C@@H]2CCN(c3c",-12.960631143850913],["CCOc1oc(=O)c2cc",-12.961323236462352],[")cc1-c1cccc(C(C",-12.961513273432749],["-c2ccc(C3(c4noc(",-12.96174304082503],["([As](=O)(O)O)cc",-12.963955998056273],["c(C)ccc3C)cc",-12.966502390132948],["C3(CC2)OCCO3)",-12.968592137597064],["N2CCC(c3n[nH]c",-12.969574858372743],["On1c(=O)c(-c2ccc",-12.971535293712732],["4cccn4",-12.971580005763444],["2(CC1)Cc1ccc(OC",-12.971603897570276],["c1cc2cc(O)ccc2o",-12.972230644558536],["c2c(Cl)cnn(-c3cc",-12.97260127549642],["ccc1-c1nnc(NN",-12.972955928672324],["-c2cnc(N)nc2-c2c",-12.974343308663151],[")-c2ccccc2C3=O)c",-12.975807505666616],[")c1snnc1C1CC",-12.976024197420212],["(=O)CCc2nnc(",-12.97613806141819],["(CO)S2)c(=O)[nH]",-12.977416816459732],["3cccc(C)c3n2)cc1",-12.979752935520269],["c3c(sc4c3CC",-12.980251061487388],["cc2c(c1)/C(=C\\C",-12.982455043174532],[")Nc1ccc2c(c1)CO",-12.983536554561784],["c1c(C2CC2)nc2ccc",-12.984001558671524],["4c(c3c2=O)CCCC4)",-12.98458018177336],["cc(Nc2ccc(C)c(C",-12.986548951605648],[")c(F)c2c1c(=O)",-12.987332116187636],["ccc(-c2nc(C)n",-12.98878818829898],["c4cc5ccccc5o4)c",-12.988793333781596],["-n2cnc3cc(NCc4cc",-12.98908241428212],["4)no3)C2)",-12.99123058814692],["1OC(n2ccc(",-12.99162662231024],["▁COc1ccccc1/C=",-12.993790783788036],["OC(=O)c1c(N)oc2c",-12.99392310229998],["(O)cc2)Oc2cc(O)c",-12.994631198877254],["c1nc2ccccn2c(=",-12.99532317254738],["NO)c1cnc(NC2(",-12.996011438778943],["c3c(c1)OCCO3)C",-12.996643745478496],["3c(c2c1)CN(CC",-12.996828034804212],["2ccc(F)cc2c",-13.002542026286648],["(C2=NNC(=O)CC2C)",-13.002618156527491],["(=O)oc3cc(O)c",-13.002863693464944],["cc(CN2CC[C@H](N",-13.004317163693184],["c3c(NC4CCCCC4)nc",-13.004331843836011],["-c2ccc3nnc(-c4cc",-13.004570264979666],["n3c(nc2s1)CCN(C",-13.004780641403816],["O)nc(-n2nc(C)cc2",-13.006115678783374],["(F)(F)F)ccc1=O)N",-13.006616917676006],["(-n3cncn3)nc",-13.007257511755316],["nn23)C2CCC4CC2)",-13.007711213989625],["nn(-c2c(Cl)cc(C",-13.008202553712104],["c(=[N+](C)C)cc",-13.008244244279291],["u",-13.008318112364408],["C(=C(/N)S",-13.008319949022324],["C=C2C(C#N)=C(N)C",-13.009892219128051],["C(=O)O)cc2OC)ccc",-13.01034179132583],["▁S=c1[nH]nc(-c2c",-13.012035862507982],["sc(C(=N)N)cc1-c1",-13.017255605289671],["(=O)c2cccc3c2C(=",-13.017613805470448],["2cccc(C(=O)NCC3C",-13.022227927155017],["▁Cn1/c(=N",-13.022395164196524],["c2ncnc3c2CN(c2c",-13.02292979006433],["3cc(-c4ccncc4)c",-13.02417673545665],["c3n[nH]c4ccc(-c5",-13.02553210149304],["c2nc(N)cc(O)n2)",-13.025749417252229],["cc(NC2CCCCC2)c(N",-13.027411595492964],["2C(=O)CN=C(c3ccc",-13.028284627896346],["NC(C)C(O)COc1ccc",-13.029740149287116],["O)Cc2c-1nc1cccc",-13.030712712934356],["(F)(F)F)cc2)Cn2c",-13.031054218154967],["c4)o3)cc2",-13.031147444072117],["3ccc(Cl)cc3s2)",-13.03117261741585],["3c(c1)OCO3)",-13.03370436411395],["ccc(F)c3)no2)C",-13.034118601453464],["sc3nc[nH]c(=O)c",-13.03514647968966],["4(C)[C@@]3(F)",-13.036210417774026],["(=O)oc2cc(O)cc(O",-13.036693380735096],["c(C(F)F)nn2-c2cc",-13.040457348503615],["4CCOCC4)nc23)",-13.041013915449456],["1CC[C@@H](Nc2ncc",-13.042722819291392],["[C@]1(C)CCC[C@]2",-13.04290068404644],["(C(F)F)nn2-c2ccc",-13.044224355680733],["(=O)oc3cc(C)c",-13.044460870872298],["c1ccc(C2CN(C)Cc3",-13.047871452353316],["(=O)O)c(Cl)c1Cl)",-13.052008670856722],["4c(c3)COC4=O)",-13.052009629437736],["c3nc4n(c(=O)c3",-13.052315166383192],["(Nc2nn([C@H]3C",-13.053355787034086],[")CC[C@@H]1[C@@]2",-13.056613949775247],["Cc1nnc2sc(-c3c",-13.058247358181308],["2c(ccn2-c2cc",-13.0590552085681],["cc(-c2c(C)nc3c(N",-13.071776504769833],["(=O)N=C(N)N)c(C)",-13.072243854511765],["2CNCCO2)ccc1N",-13.075029292116014],["c(-c2nc(CNC3CCCC",-13.076110429218332],["COc1cccc(C2(N3CC",-13.07849239279114],["ccccc2)C(=O)CN1",-13.078730459910515],["2c([n+]([O-])c3c",-13.079652594077295],["1=CC(=O)CC(C)(C)",-13.083658565097004],["(-c2cnc3nnn(Cc4c",-13.086337461425076],["2ccccc2)n1",-13.087256682643387],["C[N+]1([O-])CC",-13.087306795222926],["c(-n2nccc2-c2cc",-13.087314560280486],["(=C/c1ccco1)",-13.088813185172844],["c2nn3c(-c4",-13.091006425675086],["c2c(C3CCC3)ccc",-13.091579592288932],["(=O)oc2c(C)c(O)c",-13.097353278989493],["nc3cc(NCc4ccc(C",-13.098467780814484],["c([N+](C)(C)C)cc",-13.098631246348464],["(NCCNCCO)c",-13.099952783479525],["Cc2c(sc3nc(SC",-13.10195194483732],["2[nH]c(-c3cccc(O",-13.102593600277746],["c(-c3ocnc3-c3ccc",-13.103264959797263],["2nc(C3CCN(",-13.104955702508295],["=C(C)N=C(C)/C",-13.105068647563208],["cc(Cc3c[nH]c4ncc",-13.106348175709924],["3c(cnn3C)c",-13.107342319923692],["(ncn2C2O[C@H](CO",-13.10768151600429],["K",-13.10831548192183],["3ccccc3[nH]c2=O)",-13.109282211399208],["CN(CC)c1cc(C)nc2",-13.110100156412036],["3cc(O)c(O)c(O)c3",-13.11630333561454],[")C#Cc1cnc(Oc2ccc",-13.11699132741853],["1OC(=O)C(Cl)=C1N",-13.117524829854757],["2)oc2c1ccc1cccc",-13.119519596061616],["1CCC2(CCCN(c3ncc",-13.119800658593038],["-n2c(SCC#N)nc3sc",-13.120961879611944],["(F)(F)F)cc2)c1Cl",-13.122321260768269],["(-n4ccnc4)cc3",-13.127729595995168],["ccc(F)c(O)c1)",-13.127856404419331],["4ccc(F)cc34)CC2)",-13.130043964267625],["(=O)[nH]c2c(cnn2",-13.13286121480468],[")c1-c1ccc(NC",-13.134797952469343],["2CN(c3ncnc4",-13.137512781503489],["(O)cc(O)cc3o2)",-13.139409750419224],["cc(-n2c(=O)oc3cc",-13.141783204090297],["2ccccc2n2cncc12",-13.142248848810858],["(C)cc(C)c3c2N)c",-13.147976031574562],["3[nH]cc(C#N)c23)",-13.148689319101214],["2ccc(OC(C)=O)cc2",-13.152140356283386],["(F)F)c2cn1)c1ccc",-13.156289872769126],["Cn1c(-c2nonc2N",-13.156698758394455],["ccc3cccc(c23)N1",-13.15827829190888],["c(C2CN=C(c3cc",-13.16301347624616],["2[nH]c3nc(N)nc(N",-13.163032690758143],["C#N)C(=O)NC1=NOC",-13.171335265007375],["H]2C[C@@]3(C)",-13.171847157595062],["2c(c(OC)c1)C(",-13.173269352033689],["(=N/Nc1nc(-c2ccc",-13.174575660627273],["@]2(CC1)O",-13.181965307720414],["2c(c1)O[C@H](",-13.18445262707264],["(-c3ccccc3F)no2)",-13.186788008316768],["c1cc(/C=C/C#N)cc",-13.188094311927204],["s/c1=",-13.192481969181957],["(-c2cnc3nc(N)nc(",-13.192794534774771],["4cc(F)ccc42)CN",-13.19387441539169],["Oc1ccc(Oc2cnc3c",-13.196331811997954],["cc(Nc2c(N)oc3c",-13.199241951905568],["c2)sc2nc3c(cc12)",-13.204667507041613],["-c2csc(N/N=C\\c3c",-13.204909020364637],["(C)nc(/N=C(\\N)NC",-13.206845344279262],["cc(Cl)c[nH]c-2n1",-13.20762577972177],["2(CC1)Cc1ccc(C#",-13.209686261346231],[")cc4CCC3C1C",-13.209777340648788],["CN3CCN(c4cccc5c",-13.212074883683211],["C23c4c5ccc(O)c4O",-13.213142653489763],["4ccc(O)cc4c23)",-13.21375567711945],["t",-13.219429223478777],["[C-]#[",-13.219429227060695],["c2c(c1)CCCN2c1nc",-13.21958228938522],["cc(C23CCCC(C2)N",-13.219659848868655],["c1ccc(C2(c3nnc4",-13.219688031083257],["O[C@@H](n2cc(F)c",-13.222133624687748],["3c(N4CCCC4)ncnc3",-13.225024397137664],["2cnccc2c",-13.231304198898584],["H]1[C@H](C)C(=O)",-13.232391884838766],["4cc(C)ccc4n",-13.234461035271778],["3nc(COc4ccc",-13.23579850560521],["3ccccc3nc2n1C",-13.236091832169931],["4CCOCC4)nccn23)c",-13.24360936913985],["(=O)n3cc(C)ccc3n",-13.244197944971924],["@]3(CN4CCC3CC4)O",-13.245727796155546],["2nc3n(c(=O)c2c",-13.250533513110938],["O/N=C/Nc1cc(Cl)c",-13.25373049758942],["[nH]nc3-c3ccc",-13.255118466516064],["=O)oc2cc3c(cc12)",-13.264070244871048],["▁COc1cc(CNC2CCCC",-13.26418600366384],["O=C(CCCCC1CCSS1)",-13.265448387988018],["2c(c1)NC(=O)/C2=",-13.26827245413702],["Cc3c2cnn3-c2cccc",-13.27529886007069],["2c3ccccc3nc-2n",-13.276188064064764],["O)c1cn(CCO)c2cc",-13.276894012154347],["@H](CC[C@@H]21)",-13.276913229780105],["2c(c1)C(=O)NC2=O",-13.294880393096983],["(C(=O)c2c(N)sc3c",-13.295043967736792],["cc4[nH]cc(c34)",-13.29645189327481],["c2/C1=N/N=C/c1cc",-13.298819771509397],["@H]2C[C@]3(C)",-13.299402513161416],["n1c(Cc2ccc(Cl)c",-13.304680363073452],["H]2CCCNC2)cc1)",-13.305450421924952],["3nc4ccccc4c(N)c3",-13.305536622843844],[")c3c(=O)n2C)c",-13.306854652245685],["12CCC3c4ccc(O",-13.315180023632548],["c(-c2cc3c(N[C@H]",-13.318545745133472],["(=O)N2CCCC(Cn3c",-13.319267822406225],["2CCC(O2)C1C(=O)N",-13.32382664423928],["@]2(C)CO)[C@@H]1",-13.327101482725135],["2[nH]c2ccccc32)",-13.336218470886488],["#Cc1cnc(Oc2ccc(",-13.34148078774317],["2c(F)c(F)cc(F)c2",-13.342028998452452],["3ccccc3[nH]c2c2c",-13.34426549242497],["R",-13.344429223487868],["9",-13.344429223487875],["43C)[C@@H]1CCC2",-13.346466079993212],["3ccc(F)cc3F)CO",-13.353322873839888],["2ccccc2/C=N/O)",-13.353969046768912],["=[N+](\\[O-])C",-13.36020789838884],["c2c(c1)nc(N1CCN",-13.368420442883966],["(C(C)C)ccc(C)c",-13.369693792263714],["5)CC4)ncnc3",-13.373940381030286],["(=O)n3ccccc3nc2n",-13.382897201049293],["ccc3c(C)cc(=O)oc",-13.383797998982264],["s/c(=",-13.387344332266563],["1=Nn2c(nnc2-c2cc",-13.393405394277895],["C3CC4CCC3N4)cnc2",-13.397890794244534],["2ncnc(N3CCC(C",-13.398688056631585],["ccccc1)cn2-c1ccc",-13.403369708684265],["c(N3CC4CC3C4)n2)",-13.430303734466062],[")c3c4c(sc3n2)CC",-13.437171650887349],["[125I]",-13.45370347842456],["2c(c1C#N)CC(C)(C",-13.46451367192803],["(O)CC1=CCC1C",-13.469883474182485],["d",-13.487286366384971],["2ccccc2oc1=O)c1c",-13.51313118719396],["2ncnc(Nc3ccc(C)c",-13.55653096184532],["(-c2ocnc2C(=O)NC",-13.574542042588446],["@H]2C[C@@H](C)",-13.642115920731127],["c4-n4nccn4)C",-13.646787040065954],["[nH]c3c(C)c4ccnc",-13.681814847006724],["2[nH]c(C)c(-c3cc",-13.703659114818802],["sc2nc(C)cc(C)c",-13.723561479761315],["H]2O)c2nc(N)",-13.8427786662285],["C3C4CC5C6C4C1C6C",-13.854129252296714],["@",-13.865916117063996],["(/C=c2\\sc3n",-13.931428051317518],["H]4CCOC4)c13)C",-13.957335501702424],["1[C@H]2O)[C@]1(C",-14.045097850183335],["G",-14.10395303301168],["X",-14.10395303301168],["@H]2[C@@H](CCN2",-14.160582921536246],["▁C[C@@]1(O)[C@",-14.91601272018109],["y",-14.93728636634502],["D",-14.93728636634502],["p",-14.93728636638497],["c(-c2cc(N3C[C@",-15.7560300593887],["+",-15.937086366384971],["L",-15.93718636638497],["E",-15.937286366345036],["V",-15.937286366384948],["A",-15.93728636638497],["Y",-15.93728636638497]]}}