posthoc_components.csv

config_id,molecule_id,system,distance_A,n_atoms,n_solute_atoms,prior,glider,without_reconciliation,retrained_without_global,fragment_centered_no_reconciliation,fragment_centered_with_global,local_component,reconciliation_component,reconciliation_solute_component,reconciliation_environment_component,correction_charge_solute_e,prior_charge_solute_e,desired_correction_moment_e_bohr,local_correction_moment_e_bohr,reconciliation_site_dipole_norm_e_bohr,max_reconstruction_difference_mEh_per_e,max_prior_difference_mEh_per_e,max_component_additivity_difference_mEh_per_e
dissociation__stress_acetamidine__single_water__3A,stress_acetamidine,single_water,3.0,13,10,2.937346209202392,2.1102515272521924,2.0557652757787426,1.9710835398789295,2.0586085841748085,2.108322500863835,1.012813815370469,0.20853678171496504,0.19251883211203122,0.03195443280051354,5.999235145282e-05,-0.0022498336620628834,0.018185488879680634,0.02051980829431217,0.004241440910845995,0.0,0.0,1.8114062203325454e-07
dissociation__stress_acetamidine__single_water__4A,stress_acetamidine,single_water,4.0,13,10,1.0741568622392261,0.867430563706908,0.7117067175099961,0.6423745774648362,0.7142897498383844,0.8604957897547094,0.43240493144665626,0.19124126695502505,0.20122379336344692,0.033849859195478865,8.3053411799483e-05,0.00013471933198161423,0.014606594108045101,0.004155396736274956,0.00415244372561574,0.0,0.0,6.397928324283764e-08
dissociation__stress_acetamidine__single_water__5A,stress_acetamidine,single_water,5.0,13,10,0.25615138242978847,0.38424462356298045,0.22837745837840687,0.308663669291484,0.22663816285365077,0.3652766977154188,0.26700039796357733,0.247160820078686,0.2594282241787212,0.03220968476932595,0.0001584990823175758,0.0005510979681275785,0.013264939188957214,0.007445974532382208,0.005623558536171913,0.0,0.0,1.252082400433896e-07
dissociation__stress_acetamidine__single_water__6A,stress_acetamidine,single_water,6.0,13,10,0.1445733213148724,0.3226310412538776,0.23251721564579328,0.35754115123890906,0.22775202612248469,0.30046969060525897,0.2533099186371202,0.24750069934623745,0.25576886643595387,0.023089202302902016,0.0001703271409496665,0.0005483299028128386,0.013154597021639347,0.007708831383206835,0.00559311592951417,0.0,0.0,6.195732739789489e-08
dissociation__stress_acetamidine__single_water__8A,stress_acetamidine,single_water,8.0,13,10,0.08785134045773862,0.29968792916393866,0.25070326722968733,0.40378968941873655,0.24548165325748086,0.2736653586282672,0.25262158379752003,0.2596540276782966,0.2641492851992627,0.014436665047392765,0.00017032670439220965,0.0004425498191267252,0.013154610060155392,0.008307288160895985,0.00577373756095767,0.0,0.0,9.694394527588746e-08
dissociation__stress_acetamidine__single_water__10A,stress_acetamidine,single_water,10.0,13,10,0.07246728764593954,0.2951236284264501,0.2684003243747862,0.4317702104946461,0.2627928284293074,0.2659526583335322,0.25236128693901383,0.26974014513870465,0.2724755985731805,0.010056489694889441,0.0001703268790151924,0.00041810295078903437,0.013154608197510242,0.008909492331620463,0.005953182000666857,0.0,0.0,5.230445167692804e-08
dissociation__stress_acetamidine__single_water__15A,stress_acetamidine,single_water,15.0,13,10,0.07777585737463917,0.3021748558741351,0.28980878226987733,0.46059647646584523,0.2834350508186488,0.26401253857663365,0.2521755671418566,0.29213257833264333,0.2932048242735898,0.005234904200019358,0.00017032725736498833,0.00041175191290676594,0.013154602609574795,0.010432943410145981,0.006399891804903746,0.0,0.0,1.8361554856053623e-07
dissociation__stress_acetamidine__single_water__20A,stress_acetamidine,single_water,20.0,13,10,0.0836767667330292,0.3140249425229944,0.2970004542294294,0.46944561370297616,0.29013759611632217,0.2650553586134552,0.2521541228291681,0.3133488070196739,0.31389289522557595,0.0033103940588536116,0.00017032588948495686,0.00041069561848416924,0.013154594227671623,0.011977017355463457,0.006845671683549881,0.0,0.0,6.670868783580086e-08
dissociation__stress_acetamidine__whole_environment__3A,stress_acetamidine,whole_environment,3.0,19,10,5.620151184564245,4.056024819464014,4.005988404677686,4.0311620840515765,4.007156486976964,4.0339923552129395,1.7447056777687562,0.1709653747149667,0.15058581669581791,0.03703324725472491,0.0004081042716279626,-0.0018145861104130745,0.03775959089398384,0.041988515053531864,0.003995555453002453,2.717187794210041e-07,0.0,2.940147257601833e-07
dissociation__stress_acetamidine__whole_environment__4A,stress_acetamidine,whole_environment,4.0,19,10,1.5520736210223638,0.985370990498052,0.9463038222675333,0.9738163838404968,0.9455215695692419,0.9377385488893523,0.6911026424999414,0.09436227540471219,0.09004276262277333,0.012946880899665019,0.0004711064975708723,0.0009092932450585067,0.029076285660266876,0.028911418951336188,0.002417716197669506,2.1056779150180338e-07,0.0,1.2183476449934005e-07
dissociation__stress_acetamidine__whole_environment__5A,stress_acetamidine,whole_environment,5.0,19,10,0.3310237551902015,0.4099575907821979,0.31698925255301036,0.41057237254704243,0.2904072377127097,0.3413346257916986,0.3244269308755356,0.21197375478153416,0.22206575207959706,0.041827341820085864,0.0005750559503212571,0.0009194297599606216,0.025958195328712463,0.02412112306210096,0.005654033739119768,1.0567206690844516e-07,0.0,5.132669950950325e-08
dissociation__stress_acetamidine__whole_environment__6A,stress_acetamidine,whole_environment,6.0,19,10,0.18349486522827088,0.36973576333820946,0.3325075606846904,0.468579276050215,0.29567132757601206,0.30476328367281463,0.3061268424568949,0.2358430892414799,0.2442091327368533,0.03541356347443591,0.0005975733511149883,0.0009453080710954964,0.025646137073636055,0.02650404961496864,0.0062674060463905334,2.0429756947574693e-07,0.0,1.618558578722444e-07
dissociation__stress_acetamidine__whole_environment__8A,stress_acetamidine,whole_environment,8.0,19,10,0.14618671607857675,0.37273829999119734,0.36029966929920043,0.5208723749357308,0.32136576139389506,0.30801576172241635,0.3035204992323814,0.2600867793620264,0.2655448722897082,0.025446844250405363,0.0005975725362077355,0.0008544863667339087,0.025646120309829712,0.028050369333414787,0.006820343434810638,1.796608668585241e-07,0.0,1.0111249039651896e-07
dissociation__stress_acetamidine__whole_environment__10A,stress_acetamidine,whole_environment,10.0,19,10,0.14218202722994133,0.38397778024352464,0.3790468618400867,0.5488993313570085,0.33967862501841195,0.31737733680966823,0.30313821089856324,0.282320033452734,0.28611535453166104,0.019731790892903334,0.0005975700914859772,0.0007865820080041885,0.025646129623055458,0.02965568439044614,0.0073538427241146564,1.894582934546668e-07,0.0,1.0089001761305096e-07
dissociation__stress_acetamidine__whole_environment__15A,stress_acetamidine,whole_environment,15.0,19,10,0.14801638820183494,0.41263047962032057,0.39946754837302645,0.5766188541465243,0.35873040805638806,0.33023628416909684,0.30379468863607617,0.3345543509134136,0.3364468135826105,0.012472100830809966,0.0005975730018690228,0.0007181480759754777,0.025646135210990906,0.03395115526822272,0.008660360239446163,3.6489416642328937e-07,0.0,6.078539538031946e-08
dissociation__stress_acetamidine__whole_environment__20A,stress_acetamidine,whole_environment,20.0,19,10,0.15144720013774998,0.4416035026008665,0.40647287115416114,0.585561372526339,0.364324902598797,0.3348970757006652,0.3045847940620235,0.3854123714448168,0.3865475283921343,0.009021027043625294,0.00059757090639323,0.0006949513917788863,0.025646109133958817,0.03860089866168301,0.009961974807083607,5.332453175175373e-07,0.0,7.562468338183359e-08
dissociation__stress_dimethyl_sulfone__single_water__3A,stress_dimethyl_sulfone,single_water,3.0,14,11,1.3852237505513803,1.0401661136155156,1.277923820849514,1.1740471531082903,1.2394318352102613,1.0398243010509167,0.7269318374982637,0.3283749204413225,0.355600236631329,0.15641837665224773,-0.0007926453254185617,-0.0009485814953222871,0.012565800920128822,0.03445826381527565,0.008348384872078896,0.0,0.0,1.4871927430867848e-07
dissociation__stress_dimethyl_sulfone__single_water__4A,stress_dimethyl_sulfone,single_water,4.0,14,11,0.6536270336604836,0.4971787821633516,0.6758285978608793,0.5716778219687741,0.629914891942821,0.4916307251135722,0.46767396166758796,0.29114795958606887,0.31438823350859774,0.06831635380421178,-0.0009912665700539947,0.0010325938928872347,0.013166485354304314,0.028522405562318314,0.007423012051731348,0.0,0.0,5.248308775421262e-08
dissociation__stress_dimethyl_sulfone__single_water__5A,stress_dimethyl_sulfone,single_water,5.0,14,11,0.2705020674843708,0.2434475014514351,0.35843419312234553,0.2510619981843569,0.33841250023505304,0.28386794843523394,0.37041250347330984,0.20410827781861032,0.2131168670562275,0.02783340650212523,-0.0012352543417364359,0.0014401916414499283,0.013695533387362957,0.018521473449729386,0.005012892186641693,0.0,0.0,4.024000325119313e-08
dissociation__stress_dimethyl_sulfone__single_water__6A,stress_dimethyl_sulfone,single_water,6.0,14,11,0.19743445508502988,0.23998951330727816,0.29183914099042163,0.1920524184256264,0.2846540408355226,0.25504748375150105,0.3752265894841848,0.21851175337114764,0.2255884585668743,0.021024962200782923,-0.0013091344153508544,0.0012423270381987095,0.013875261880457401,0.019653721248474903,0.005327693186700344,0.0,0.0,3.746372553544222e-08
dissociation__stress_dimethyl_sulfone__single_water__8A,stress_dimethyl_sulfone,single_water,8.0,14,11,0.16052662837065945,0.2949516738422678,0.2863067187719141,0.19330463121893265,0.2643717774827172,0.24694061747939564,0.38520952235503075,0.27082540178372483,0.276102763287075,0.015724463179437723,-0.0013091345317661762,0.0009586570085957646,0.013875264674425125,0.02448732129048332,0.006574718281626701,0.0,0.0,4.152330085674394e-08
dissociation__stress_dimethyl_sulfone__single_water__10A,stress_dimethyl_sulfone,single_water,10.0,14,11,0.23142590633357946,0.6220341772536647,0.5214409868317281,0.3701637701620415,0.4054223359009953,0.402131570548863,0.3923285444474308,0.3238963834002113,0.32788525386350875,0.012720993917724124,-0.0013091337168589234,0.0008903186535462737,0.013875261880457401,0.029355053472467613,0.007845532149076462,0.0,0.0,2.9249160905797655e-07
dissociation__stress_dimethyl_sulfone__single_water__15A,stress_dimethyl_sulfone,single_water,15.0,14,11,0.21697761623549044,0.7126298980226832,0.5211168934261156,0.37877573756672533,0.38254097530182246,0.3970343201883461,0.40318022565594486,0.45789502593889003,0.46013419672917827,0.00874257256319809,-0.001309132669121027,0.0008560062269680202,0.013875256292521954,0.04160225627151347,0.011074379086494446,0.0,0.0,1.3100148635140918e-07
dissociation__stress_dimethyl_sulfone__single_water__20A,stress_dimethyl_sulfone,single_water,20.0,14,11,0.0926717562471327,0.7096373590433218,0.40967138168388734,0.26538456159844614,0.2878088553046611,0.29619638791177977,0.40925091559858806,0.5928274428958409,0.5942666878600266,0.006705480532514104,-0.0013091336004436016,0.0008405200205743313,0.013875256292521954,0.05390326902137084,0.014337876811623573,0.0,0.0,9.259673887027087e-08
dissociation__stress_dimethyl_sulfone__whole_environment__3A,stress_dimethyl_sulfone,whole_environment,3.0,20,11,1.3053673844360856,0.9719095311401112,1.0359454411156022,1.089822294515031,0.9150079557677145,0.8630245470461956,0.9879663707489756,0.46993225107721553,0.5193155522521389,0.2175151037195905,-0.002526860451325774,0.0008022260153666139,0.0199300404638052,0.07180654295496927,0.01499478705227375,0.0,0.0,1.9100388415002612e-07
dissociation__stress_dimethyl_sulfone__whole_environment__4A,stress_dimethyl_sulfone,whole_environment,4.0,20,11,0.6132176057574368,0.5257555778865367,0.5385980108422552,0.5913371425560743,0.403018911783776,0.37903435125920076,0.654125046111599,0.43327536468799077,0.4751244428520031,0.1417642865797801,-0.002875071484595537,0.0021407068707048893,0.020360713824629784,0.0631583479918909,0.013645464554429054,0.0,0.0,5.4454587106872454e-08
dissociation__stress_dimethyl_sulfone__whole_environment__5A,stress_dimethyl_sulfone,whole_environment,5.0,20,11,0.36722031581295467,0.44287909318196267,0.33801533687930463,0.4599684086669958,0.2621082927665626,0.2519810042363003,0.5716418636141359,0.42175079474947597,0.4531863825443725,0.10195197774925324,-0.0029754757415503263,0.0023107612505555153,0.020715557038784027,0.058728286067150394,0.012968108057975769,0.0,0.0,1.4366216354554096e-07
dissociation__stress_dimethyl_sulfone__whole_environment__6A,stress_dimethyl_sulfone,whole_environment,6.0,20,11,0.3315180527727596,0.48573934214008274,0.31651754621095607,0.436537713675357,0.24334044700207622,0.23158126212183977,0.5773027807303054,0.46264341810341836,0.48941069566119216,0.08681902628340846,-0.0029919291846454144,0.002110440284013748,0.020784318447113037,0.06304373054648728,0.014013668522238731,0.0,0.0,8.073118698071272e-08
dissociation__stress_dimethyl_sulfone__whole_environment__8A,stress_dimethyl_sulfone,whole_environment,8.0,20,11,0.2985426109780836,0.5803273166781618,0.3270545924587867,0.39752565411493446,0.23158309384616457,0.2154706262172859,0.5966719323318983,0.5574279123033188,0.5774417985884475,0.06864919025813392,-0.002991928020492196,0.0018329210579395294,0.02078431285917759,0.07410724003452639,0.01656491309404373,0.0,0.0,6.414749265624964e-08
dissociation__stress_dimethyl_sulfone__whole_environment__10A,stress_dimethyl_sulfone,whole_environment,10.0,20,11,0.2918252859749457,0.6751099454189715,0.3379363644124602,0.3828911260936122,0.23396151262474998,0.21602750135725998,0.611499676562874,0.6497794112520358,0.6650941862736689,0.05679427002470154,-0.0029919289518147707,0.0017328467220067978,0.02078431099653244,0.08521200862068297,0.01910465396940708,0.0,0.0,1.2905910877752252e-07
dissociation__stress_dimethyl_sulfone__whole_environment__15A,stress_dimethyl_sulfone,whole_environment,15.0,20,11,0.2335653731820355,1.1730650235790134,0.7466987634916862,0.4403889531317001,0.37594007252210837,0.37225603002406715,0.6358546619499154,0.8760167313926973,0.8848579582848486,0.03976441789938012,-0.0029919284861534834,0.0016418711747974157,0.02078430913388729,0.11327019933974493,0.02547103352844715,0.0,0.0,2.853305388077383e-06
dissociation__stress_dimethyl_sulfone__whole_environment__20A,stress_dimethyl_sulfone,whole_environment,20.0,20,11,0.599027419195305,1.0230063667607212,0.23913369807517487,0.5892334285009555,0.49794151673815923,0.4852984478918283,0.6502328931437735,1.0979893816455675,1.1038112013202057,0.030734413296928807,-0.0029919298831373453,0.001603860640898347,0.020784297958016396,0.14138521533157805,0.03181290999054909,0.0,0.0,1.043467125829171e-06
dissociation__stress_methanesulfonamide__single_water__3A,stress_methanesulfonamide,single_water,3.0,13,10,3.737557743413509,2.6397381119581795,2.688322717272877,2.7077211622208175,2.671902183533765,2.6374298126138234,1.185428706874382,0.2512264860092419,0.23786569889803677,0.06524152259096203,-0.00037719582905992866,0.0003221080987714231,0.030751733109354973,0.046032171855873764,0.0057805487886071205,0.0,0.0,5.818746769137295e-07
dissociation__stress_methanesulfonamide__single_water__4A,stress_methanesulfonamide,single_water,4.0,13,10,1.2731662815167328,0.9161581772947802,1.0199398170364276,1.1595951975655199,1.0099402496856817,0.924242710469242,0.5047448869313932,0.20003876088949987,0.2082512865338021,0.04065920128635901,-0.0002975424285978079,0.00029925513081252575,0.026555392891168594,0.04239318738096109,0.00492424052208662,0.0,0.0,3.328589660844816e-07
dissociation__stress_methanesulfonamide__single_water__5A,stress_methanesulfonamide,single_water,5.0,13,10,0.3173394470127097,0.4872978924040621,0.5480283849377461,0.6702288389842368,0.5373305533683765,0.5024813183356629,0.35168028751549857,0.10913847089917163,0.11081392665339578,0.01257470938299721,-0.00033783353865146637,-0.00024067213234957308,0.0242970809340477,0.03130512764420677,0.0026481894310563803,0.0,0.0,4.082127030066024e-08
dissociation__stress_methanesulfonamide__single_water__6A,stress_methanesulfonamide,single_water,6.0,13,10,0.14771108594822632,0.39597486511162805,0.45092619459490224,0.5749593123767069,0.4419542642948056,0.4178121899417078,0.3817818661228894,0.0992924685252625,0.10003348531076978,0.007641759520985813,-0.0003520582104101777,-0.0001282902085222304,0.023982232436537743,0.029859242986218334,0.0023990755435079336,0.0,0.0,1.2520295336517634e-07
dissociation__stress_methanesulfonamide__single_water__8A,stress_methanesulfonamide,single_water,8.0,13,10,0.09677629958882245,0.3486322620496541,0.40661568951265614,0.5301724622871501,0.40197152821407245,0.3766814162116737,0.38178058825397154,0.11166364652360547,0.11242931138174339,0.005498762496311398,-0.0003520582104101777,0.00024257066252175719,0.023982232436537743,0.031111266200758707,0.00268289796076715,0.0,0.0,1.3305409101967494e-07
dissociation__stress_methanesulfonamide__single_water__10A,stress_methanesulfonamide,single_water,10.0,13,10,0.08150760621696568,0.3302578602188685,0.38928926969514427,0.5104916875441566,0.38679619260857306,0.3610569990074521,0.3817819182049097,0.1250235813960366,0.12566276106863364,0.004335241805888323,-0.0003520582104101777,0.0003374069929122925,0.023982228711247444,0.03236573178010013,0.00298507884144783,0.0,0.0,1.1630769376845106e-07
dissociation__stress_methanesulfonamide__single_water__15A,stress_methanesulfonamide,single_water,15.0,13,10,0.07506154764832844,0.31691933082491847,0.3753712697794757,0.49317934249138273,0.3746472727365265,0.34864571230881886,0.3818678336623237,0.16069397423352857,0.16105972744151664,0.002861570715286742,-0.00035205757012590766,0.0003582115168683231,0.02398221753537655,0.0355202776081313,0.003792267292737961,0.0,0.0,2.0809671795799217e-07
dissociation__stress_methanesulfonamide__single_water__20A,stress_methanesulfonamide,single_water,20.0,13,10,0.26141074214230664,0.461448451951149,0.48611514915350423,0.5162507131796696,0.4531786704530521,0.43612669748153615,0.3819965737519188,0.19812382635894904,0.19834090072477603,0.0021422738743230017,-0.00035205832682549953,0.0003571786219254136,0.02398224174976349,0.03870054983061547,0.004642465151846409,0.0,0.0,3.8509804633352074e-07
dissociation__stress_methanesulfonamide__whole_environment__3A,stress_methanesulfonamide,whole_environment,3.0,19,10,4.748409949873142,2.1687437893790142,2.125747546471577,2.4404806399393255,2.124769662614209,2.148105259559019,2.6715307798945513,0.19413012687751585,0.19036133694026797,0.08745143632011469,-0.0007726261974312365,0.002700838726013899,0.03748533874750137,0.05720489330896231,0.005250666290521622,9.743057471922612e-07,0.0,1.7297226082013673e-06
dissociation__stress_methanesulfonamide__whole_environment__4A,stress_methanesulfonamide,whole_environment,4.0,19,10,1.079737281613968,0.6344169979039646,0.688587767392229,0.9757540402204226,0.663863527100039,0.622943361001818,0.7212627475484977,0.2596202773532801,0.266922970784669,0.0692040784893869,-0.0008267327211797237,0.0007898973999544978,0.04025287181138992,0.06991892661923124,0.0073990244418382645,4.427238115499964e-07,0.0,3.375704163898971e-07
dissociation__stress_methanesulfonamide__whole_environment__5A,stress_methanesulfonamide,whole_environment,5.0,19,10,0.3960573796350329,0.44673554643044794,0.5318251233647693,0.7711900053049692,0.4912627344951844,0.4477585533727407,0.46895674927695735,0.21159834901972643,0.2151826738182524,0.038412843526362844,-0.0008674710406921804,0.00013553627650253475,0.04048704728484154,0.06550503023807307,0.006098298355937004,1.7604225548010013e-07,0.0,4.644618440937179e-08
dissociation__stress_methanesulfonamide__whole_environment__6A,stress_methanesulfonamide,whole_environment,6.0,19,10,0.23806046013395685,0.3809313751961559,0.4678560229751018,0.7017800279215962,0.43148986369588455,0.3913869466418918,0.44514762295426086,0.20448810174035725,0.20693256783239813,0.028093048111349026,-0.0008628048235550523,0.0002455080393701792,0.04035911336541176,0.06455974435118525,0.005915931425988674,1.0999622469375775e-07,0.0,4.073697791855818e-08
dissociation__stress_methanesulfonamide__whole_environment__8A,stress_methanesulfonamide,whole_environment,8.0,19,10,0.1804186064043878,0.343361878314706,0.4182004098466179,0.653058777273352,0.39057794232639403,0.3461109180566879,0.4374554267229044,0.23154396799420193,0.23412557568163994,0.02273121118477736,-0.0008628062787465751,0.0005538209807127714,0.04035913199186325,0.06795236056403399,0.0066651091910898685,1.1505818471374205e-07,0.0,1.4402259137895335e-07
dissociation__stress_methanesulfonamide__whole_environment__10A,stress_methanesulfonamide,whole_environment,10.0,19,10,0.15767356625397405,0.34077930950498925,0.3960329827741652,0.6256674717426113,0.37343423854108265,0.3272512114970119,0.43379547745896063,0.25847724699668234,0.2607001903913618,0.018983374098953742,-0.000862804357893765,0.0006227166741155088,0.04035915061831474,0.07121503357231847,0.007397439330816269,1.406866788323212e-07,0.0,1.5963864282678326e-07
dissociation__stress_methanesulfonamide__whole_environment__15A,stress_methanesulfonamide,whole_environment,15.0,19,10,1.2658198168896933,1.5233573719283073,1.5088442602628547,1.2501247511226328,1.396742785342308,1.3832160726938012,0.4300276138636439,0.3254137302655407,0.3267494631964554,0.013332263102110088,-0.0008628023788332939,0.0006006367038935423,0.040359094738960266,0.07920702631391156,0.009218654595315456,6.263353258349064e-07,0.0,2.4415912414695734e-06
dissociation__stress_methanesulfonamide__whole_environment__20A,stress_methanesulfonamide,whole_environment,20.0,19,10,0.6776698164924688,0.9810190146754467,0.9402942458859752,0.7770181826262698,0.826086921622582,0.8124254375868154,0.42880997856808206,0.39219786475316987,0.3930109062662477,0.010231313358225446,-0.0008628027862869203,0.0005851235473528504,0.040359169244766235,0.08714898921787279,0.011047028005123138,2.4147449274522503e-07,0.0,4.220848482468405e-07
dissociation__stress_methyl_sulfoxide__single_water__3A,stress_methyl_sulfoxide,single_water,3.0,13,10,1.2260709593330967,1.4350460194271648,1.7257783841455827,1.6406507613924681,1.7463116175603972,1.4283042370201338,1.3715592689527865,0.8817658211942629,0.8398130922605558,0.11290739851858937,-0.00031429616501554847,0.001761369640007615,0.016718655824661255,0.06604086281880914,0.018037673085927963,0.0,0.0,5.336431851965528e-07
dissociation__stress_methyl_sulfoxide__single_water__4A,stress_methyl_sulfoxide,single_water,4.0,13,10,0.4305662658381394,0.9121056145752449,1.1394588578255855,1.0590090085892678,1.1775821628207428,0.887904890580004,1.0860552022038137,0.8067676738974076,0.7863183662436742,0.04343757774571874,-0.000693750218488276,-0.00026075250934809446,0.018790055066347122,0.05558109997037618,0.016733530908823013,0.0,0.0,1.8928931230614843e-07
dissociation__stress_methyl_sulfoxide__single_water__5A,stress_methyl_sulfoxide,single_water,5.0,13,10,0.1555181295665458,0.7979479867493982,1.0308757259220866,0.9472921524349136,1.0831180859948966,0.7606325653036695,1.0001097723620092,0.8049354476044134,0.7932797045722974,0.02646504698178054,-0.001076366868801415,-0.0002665642532519996,0.01910727471113205,0.05378243817671762,0.01686587557196617,0.0,0.0,8.884182972623833e-08
dissociation__stress_methyl_sulfoxide__single_water__6A,stress_methyl_sulfoxide,single_water,6.0,13,10,0.1255965764676807,0.80651597906354,1.0218614468600513,0.932886880642725,1.0813518642260693,0.7581872358208996,0.9953995529037019,0.8287396056686872,0.8213708739612238,0.01974163649764046,-0.001194383599795401,0.0001812201226130128,0.0190704558044672,0.05457473184758652,0.017458459362387657,0.0,0.0,5.1991197588460714e-08
dissociation__stress_methyl_sulfoxide__single_water__8A,stress_methyl_sulfoxide,single_water,8.0,13,10,0.11606904839403699,0.8354242213239155,1.030486284090095,0.9414621542218572,1.0948535795796759,0.7692347301627633,0.9907786310285416,0.8380485623101767,0.8348523431768524,0.012885855811934717,-0.001194383599795401,0.0005629025399684906,0.01907046139240265,0.05430449024105121,0.017736252397298813,0.0,0.0,1.4258966598602874e-07
dissociation__stress_methyl_sulfoxide__single_water__10A,stress_methyl_sulfoxide,single_water,10.0,13,10,0.10666473560119019,0.8580132781675001,1.0275565641509026,0.9367539479935781,1.094188576141687,0.7682640862386838,0.9884552950248623,0.8533117969327484,0.8519137551635315,0.010097170232545057,-0.0011943833669647574,0.0006464342586696148,0.0190704558044672,0.05440904320398427,0.018096573650836945,0.0,0.0,4.647586796750064e-08
dissociation__stress_methyl_sulfoxide__single_water__15A,stress_methyl_sulfoxide,single_water,15.0,13,10,0.10345789280023257,0.9328534190430078,1.0221136778532056,0.9302637420150704,1.0924236387977124,0.7669883294611795,0.9856992623214337,0.9087839848136375,0.908808993692712,0.00711467307532217,-0.0011943851131945848,0.0007045690435916185,0.0190704558044672,0.05627751391002053,0.01932566799223423,0.0,0.0,7.984293521473562e-08
dissociation__stress_methyl_sulfoxide__single_water__20A,stress_methyl_sulfoxide,single_water,20.0,13,10,0.41022577670878746,1.103498494050823,1.137610980475152,1.0828975317469485,1.244968120593884,0.9335665193967988,0.9844011566016249,0.9827954756079905,0.9830751287992601,0.005656914566478451,-0.0011943859281018376,0.0007237398531287909,0.0190704595297575,0.060239045447887433,0.020954014733433723,0.0,0.0,9.942179414815233e-08
dissociation__stress_methyl_sulfoxide__whole_environment__3A,stress_methyl_sulfoxide,whole_environment,3.0,19,10,4.82351360813871,2.197663946970281,2.0911493562223176,2.498571768225428,2.1060011463791826,2.170130418715773,2.971283041618616,0.39409822528750604,0.36051975366491495,0.1344615654400377,-0.001464565983042121,-0.0001927390694618225,0.012739947997033596,0.0324273454000289,0.009431530721485615,2.3667364248969314e-07,0.0,1.4985835176950513e-06
dissociation__stress_methyl_sulfoxide__whole_environment__4A,stress_methyl_sulfoxide,whole_environment,4.0,19,10,1.2259294403177525,0.5950510603243729,0.6001978586128078,0.5944108907358129,0.72375513795119,0.6079074307009953,1.4694643996714571,0.5170382643557551,0.4985682172224385,0.047935490043161735,-0.0020488060545176268,0.0012756919022649527,0.008624451234936714,0.04970007313000189,0.01291180495172739,1.4832678488230222e-07,0.0,1.8833348097192781e-07
dissociation__stress_methyl_sulfoxide__whole_environment__5A,stress_methyl_sulfoxide,whole_environment,5.0,19,10,0.29667220798772337,0.7088203356968383,0.8815187823583751,0.821295612071667,0.9941429994843785,0.716365013654271,1.0656013459990692,0.5932022802958458,0.577028882913218,0.02969397011478847,-0.0021754070185124874,0.0009094567503780127,0.009190180338919163,0.06001316458756339,0.014896675013005733,1.7498256859596e-07,0.0,1.1830070603680021e-07
dissociation__stress_methyl_sulfoxide__whole_environment__6A,stress_methyl_sulfoxide,whole_environment,6.0,19,10,0.17613560707692236,0.7793613611834392,0.969084529155821,0.9338919760835959,1.0868377075488067,0.7845135984836052,0.9741213325142276,0.6076557706105089,0.5963184494983811,0.026165257957861104,-0.002171232830733061,0.0011982234427705407,0.009451237507164478,0.06201271017797702,0.015390818938612938,1.7288092190589433e-07,0.0,4.325580171826715e-08
dissociation__stress_methyl_sulfoxide__whole_environment__8A,stress_methyl_sulfoxide,whole_environment,8.0,19,10,0.22401350168289214,0.8418970727440998,1.006011359545315,0.9795015935591519,1.1367974499119031,0.8262944371096214,0.96725839584469,0.6292356108514865,0.6245810973254629,0.026570085154507313,-0.0021712318994104862,0.001787649467587471,0.009451246820390224,0.06429540993865973,0.016114601865410805,1.0083083825350447e-07,0.0,9.313978407976542e-08
dissociation__stress_methyl_sulfoxide__whole_environment__10A,stress_methyl_sulfoxide,whole_environment,10.0,19,10,0.24960479187395032,0.8941264443282203,1.020304765735655,0.9973328492512885,1.1583858533771652,0.8466043063720544,0.9648660275052531,0.6606607396353655,0.6592492110522484,0.025741045439177684,-0.0021712309680879116,0.0019473349675536156,0.00945126824080944,0.06756594497083157,0.01701948791742325,1.698764351165975e-07,0.0,1.5730172806677212e-07
dissociation__stress_methyl_sulfoxide__whole_environment__15A,stress_methyl_sulfoxide,whole_environment,15.0,19,10,0.2743665223841373,1.0213308639945409,1.0298765105270076,1.0103995834825374,1.1773317255007034,0.8663192508662328,0.9633979072582803,0.767635519394451,0.7686486471011981,0.02203945801582038,-0.002171232830733061,0.0019934182055294514,0.009451247751712799,0.0791160185566392,0.019915493205189705,2.6140117848072464e-07,0.0,3.4605333464228505e-08
dissociation__stress_methyl_sulfoxide__whole_environment__20A,stress_methyl_sulfoxide,whole_environment,20.0,19,10,0.28830937509219506,1.1601793824588111,1.0324432400544372,1.0159207700138249,1.1859063492618072,0.8765028618685043,0.9632828116307462,0.9007186020280625,0.9018525527907942,0.018660741744128354,-0.002171232597902417,0.002007841831073165,0.009451232850551605,0.09407393998847292,0.02346687577664852,2.833375617461442e-07,0.0,7.849493147485398e-08
dissociation__stress_nitroethane__single_water__3A,stress_nitroethane,single_water,3.0,13,10,1.8728868739760463,1.1058106017392146,1.046107839386229,0.9974739464512219,1.0793638735486948,1.0521551280779378,1.3827375520055358,0.24524152941169688,0.22532345558133596,0.07425227165990247,-0.0019313549855723977,0.0023743812926113605,0.02218344621360302,0.019110275299598186,0.0047722673043608665,0.0,0.0,3.8831426404451266e-07
dissociation__stress_nitroethane__single_water__4A,stress_nitroethane,single_water,4.0,13,10,0.5845715620959884,0.7916730331846932,0.7640220097908129,0.7644185951528141,0.7815423649561315,0.6514531487208959,0.9085098939529177,0.19223882033291984,0.18740332354927117,0.011796825985932444,-0.0021555579733103514,0.0002592790115159005,0.016956284642219543,0.02165536725609633,0.003793478012084961,0.0,0.0,1.0581287528035194e-07
dissociation__stress_nitroethane__single_water__5A,stress_nitroethane,single_water,5.0,13,10,0.14333209604617117,0.7211018486591999,0.7210342739033824,0.7283590945858212,0.7024127674916167,0.5380862624114429,0.7796318186447705,0.18762733257922676,0.1847331895842915,0.006621617708235825,-0.002409299835562706,-0.00032741378527134657,0.015165085904300213,0.020958330345420544,0.003753678174689412,0.0,0.0,1.1674497875585957e-07
dissociation__stress_nitroethane__single_water__6A,stress_nitroethane,single_water,6.0,13,10,0.09685467433789026,0.7352488401398989,0.7247873867241318,0.7229942119459195,0.6912446673229039,0.5130950189654281,0.7739549013494604,0.1928189371428835,0.1913595478001495,0.006288122420399638,-0.0024937684647738934,-0.00026286227512173355,0.015008683316409588,0.02304482877714247,0.003875377122312784,0.0,0.0,1.1903018745347896e-07
dissociation__stress_nitroethane__single_water__8A,stress_nitroethane,single_water,8.0,13,10,0.06491874310300412,0.8242291892023895,0.7425535520659821,0.7278209648049148,0.7069234709739559,0.5050612911265738,0.7875214560540378,0.25690129678770224,0.2574715505358695,0.00931687477935471,-0.002493768697604537,1.9412720575928688e-05,0.01500867772847414,0.03150321152616954,0.005366870667785406,0.0,0.0,3.9282067290820344e-08
dissociation__stress_nitroethane__single_water__10A,stress_nitroethane,single_water,10.0,13,10,0.054315403464257214,0.9204137953242972,0.7566088217427367,0.7309036173111165,0.7148920140657372,0.5028069179415633,0.7970436304257988,0.34645109906480953,0.3475810191373704,0.010369518363495473,-0.0024937698617577553,8.527918544132262e-05,0.015008674934506416,0.04039535930661991,0.007504363544285297,0.0,0.0,1.7130721580854713e-07
dissociation__stress_nitroethane__single_water__15A,stress_nitroethane,single_water,15.0,13,10,0.04723430811071013,1.167014097636442,0.7765702837787132,0.734025216606652,0.7222704471004265,0.5011501366022133,0.8116431507625177,0.603699780928529,0.604613699894257,0.010135488713385751,-0.0024937682319432497,0.00010918654152192175,0.015008676797151566,0.06330805273471803,0.013601239770650864,0.0,0.0,7.586993956264915e-08
dissociation__stress_nitroethane__single_water__20A,stress_nitroethane,single_water,20.0,13,10,0.04589872398653995,1.42066053257479,0.7865711135658877,0.7352343726156622,0.7249117560609883,0.5008108924297606,0.8198632095731835,0.8741537986945656,0.8746837444464073,0.009078427929552312,-0.0024937705602496862,0.0001134836784331128,0.01500866562128067,0.086572238011062,0.019978754222393036,0.0,0.0,1.0310503926330705e-07
dissociation__stress_nitroethane__whole_environment__3A,stress_nitroethane,whole_environment,3.0,19,10,3.1857618397401746,2.034833099907863,2.140631502029582,2.1191335230521187,2.002376145835595,1.9736439122128042,1.736891526904113,0.4689728803162216,0.4873914380186874,0.17553052604933045,-0.005591235123574734,0.00031483592465519905,0.03656105697154999,0.09289091474112897,0.013175852596759796,6.392328923132684e-07,0.0,4.1391714881988673e-07
dissociation__stress_nitroethane__whole_environment__4A,stress_nitroethane,whole_environment,4.0,19,10,1.0523900199008793,1.275415430767263,1.1983630437650197,0.976106039429348,0.9135521345035276,0.8146373545295408,1.3127319047254238,0.6077981088369935,0.6301953707014738,0.1485520517647499,-0.005314114969223738,-0.00012211364810355008,0.03229723125696182,0.10687796693451417,0.017335623502731323,4.745008984254756e-07,0.0,1.8270545146248374e-07
dissociation__stress_nitroethane__whole_environment__5A,stress_nitroethane,whole_environment,5.0,19,10,0.3727246398315536,1.2585262327036535,1.0668056266078576,0.7692332111838535,0.7575319521392775,0.6394212094648614,1.1634632145494617,0.6105108738665131,0.626797973069897,0.10823344061542657,-0.005225782748311758,-0.0005223597399890423,0.030422979965806007,0.10557050238970403,0.01745656318962574,3.508980944352813e-07,0.0,1.4745950868786523e-07
dissociation__stress_nitroethane__whole_environment__6A,stress_nitroethane,whole_environment,6.0,19,10,0.22366162398374603,1.3320047624772688,1.0544140060664957,0.735641282039588,0.7552862045594609,0.6097480129882833,1.145091853505914,0.668917160824508,0.6821258524389866,0.09234557349504596,-0.005202990025281906,-0.0004902438377030194,0.030075302347540855,0.11231330790003859,0.019076194614171982,3.7376889365677013e-07,0.0,2.8356717269987543e-08
dissociation__stress_nitroethane__whole_environment__8A,stress_nitroethane,whole_environment,8.0,19,10,0.15434357995110487,1.5250143837154915,1.0835647879812278,0.7320869916499047,0.784067923464009,0.6120431376008311,1.1554628726134841,0.8396913760840469,0.8491880189899872,0.07826977498105038,-0.005202986765652895,-0.0003019052091985941,0.0300753191113472,0.13306065214563448,0.023826640099287033,2.0131783403948972e-07,0.0,4.984021550503981e-08
dissociation__stress_nitroethane__whole_environment__10A,stress_nitroethane,whole_environment,10.0,19,10,0.12090026929641984,1.7010193105537665,1.1074780030490614,0.7329278777096866,0.8020877600301951,0.616664933156265,1.165712270601011,1.0058456449452797,1.0127018936118695,0.06860397814055619,-0.005202988628298044,-0.00026042680838145316,0.030075307935476303,0.15334594201176266,0.028474939987063408,2.902960593263726e-07,0.0,5.0504690273650565e-08
dissociation__stress_nitroethane__whole_environment__15A,stress_nitroethane,whole_environment,15.0,19,10,0.09172487340355298,2.106430096814324,1.150809637860927,0.7379945321566875,0.8243395918243135,0.6257755119609419,1.1861224005748132,1.4125742321889672,1.415738848344861,0.05319452510403374,-0.005202985368669033,-0.00029042712412774563,0.030075332149863243,0.20330630965054433,0.039929646998643875,6.304547682522976e-07,0.0,9.615986110676766e-08
dissociation__stress_nitroethane__whole_environment__20A,stress_nitroethane,whole_environment,20.0,19,10,0.08468169951194905,2.490915296670569,1.1739931991221209,0.74035466803314,0.8319637166084124,0.6290579480614251,1.2002516864386203,1.8142234014122307,1.8156574186112073,0.043779166167558003,-0.005202989559620619,-0.000303295673802495,0.03007529489696026,0.2528562638846752,0.05129393935203552,4.801156226058589e-07,0.0,1.4952960592819198e-07
dissociation__stress_pyridine_n_oxide__single_water__3A,stress_pyridine_n_oxide,single_water,3.0,15,12,1.4751952063806242,0.8911376211653415,1.1908521965521093,1.1584316431833943,1.1570921698351693,0.9045470291550713,0.836030366177857,0.37365563402246926,0.4015327382482812,0.11804027926210592,-0.0009074531844817102,0.0010083909146487713,0.013419700786471367,0.05101100227802567,0.010636948049068451,0.0,0.0,3.200186930773022e-07
dissociation__stress_pyridine_n_oxide__single_water__4A,stress_pyridine_n_oxide,single_water,4.0,15,12,0.45073270997129816,0.3390726418398578,0.6325900448552854,0.5390929823813282,0.6153514341995755,0.40443723231680506,0.46529826560122645,0.3665410607643292,0.37578922341886745,0.05672355759343716,-0.0012759679229930043,0.002005606424063444,0.011058931238949299,0.043265648262363315,0.01006638165563345,0.0,0.0,2.265810748660474e-07
dissociation__stress_pyridine_n_oxide__single_water__5A,stress_pyridine_n_oxide,single_water,5.0,15,12,1.3317577216316487,1.5241471694987632,1.4856930059982318,1.3874478336881186,1.412969790856655,1.3938132243920474,0.4649527732983675,0.3786735100642125,0.3844577010426456,0.0380877382352523,-0.0014234124682843685,0.0022672663908451796,0.010867916978895664,0.04318765582623845,0.010308617725968361,0.0,0.0,1.6736294839152926e-06
dissociation__stress_pyridine_n_oxide__single_water__6A,stress_pyridine_n_oxide,single_water,6.0,15,12,2.0976947873332406,2.2449695697157033,2.122622077849355,2.0625771635037293,2.0296624149013613,2.091415772233833,0.47059251639768196,0.40206612514837275,0.4070848125775169,0.030022454586896324,-0.0014612202066928148,0.002237352542579174,0.010853154584765434,0.04556246498469892,0.010904720053076744,0.0,0.0,1.484147144808004e-06
dissociation__stress_pyridine_n_oxide__single_water__8A,stress_pyridine_n_oxide,single_water,8.0,15,12,0.9138466301713253,1.1295584583280254,1.011087807930588,0.9083791899714164,0.8960071442099098,0.925924556273366,0.4725063691338236,0.4490893681141561,0.4529762605138112,0.021400528088587247,-0.001461220090277493,0.002099813660606742,0.010853150859475136,0.050638458150384105,0.012101036496460438,0.0,0.0,4.0295949671649567e-07
dissociation__stress_pyridine_n_oxide__single_water__10A,stress_pyridine_n_oxide,single_water,10.0,15,12,0.5443929943270439,0.8255964647599232,0.7033135868017091,0.5661996203419333,0.5856230777145401,0.5832147795154575,0.4743513296704441,0.4976398236559484,0.5006116961025338,0.016685499254467842,-0.0014612225349992514,0.0020559795666486025,0.010853162966668606,0.055782974683221846,0.013339241035282612,0.0,0.0,5.98512916283973e-07
dissociation__stress_pyridine_n_oxide__single_water__15A,stress_pyridine_n_oxide,single_water,15.0,15,12,0.17001272730725295,0.6317157691575416,0.45560087790006387,0.27318219635909713,0.39676769030176845,0.32470719343140536,0.47791918597366906,0.623297186793518,0.6249381095345539,0.010802106970566923,-0.0014612209051847458,0.002041770610958338,0.010853169485926628,0.0688778837364368,0.01656273379921913,0.0,0.0,3.825934230886063e-08
dissociation__stress_pyridine_n_oxide__single_water__20A,stress_pyridine_n_oxide,single_water,20.0,15,12,0.11687860816100328,0.6831048996086215,0.41221915257898073,0.24653454720017837,0.41326643420412446,0.32400396596422576,0.4803384488600897,0.752874976767837,0.7538851698957353,0.007998149312939011,-0.001461220788769424,0.002045899396762252,0.010853162966668606,0.08219522758108783,0.019900869578123093,0.0,0.0,4.791199233146123e-07
dissociation__stress_pyridine_n_oxide__whole_environment__3A,stress_pyridine_n_oxide,whole_environment,3.0,21,12,1.0015530328143913,1.5456531038802979,1.3255623623457933,1.3605994696003727,1.3372457279527799,1.497535220285018,0.8205039820216767,0.40750126350911076,0.4295354272819295,0.16302210353849517,-0.000698104384355247,0.0036240690387785435,0.019792869687080383,0.07641972922560221,0.013195076026022434,0.0,0.0,9.522591179131346e-08
dissociation__stress_pyridine_n_oxide__whole_environment__4A,stress_pyridine_n_oxide,whole_environment,4.0,21,12,0.5209970031453606,0.7674230656045876,0.5277606322895059,0.5433122730520252,0.6291248592513315,0.6694838532541592,0.5474381758199028,0.4101362809051581,0.4346502132666524,0.09513928934821665,-0.0017438650829717517,0.003704122267663479,0.019804736599326134,0.07500617433945149,0.013416580855846405,0.0,0.0,1.2048464092737077e-07
dissociation__stress_pyridine_n_oxide__whole_environment__5A,stress_pyridine_n_oxide,whole_environment,5.0,21,12,0.5151415999826652,0.890209112994116,0.7110844662038002,0.5772971661040823,0.6265789721777674,0.6002037157912317,0.5621989713202903,0.47283171005893815,0.49334607187166474,0.07713927998564642,-0.002266594674438238,0.003558881115168333,0.019855281338095665,0.08239477018448471,0.015254689380526543,0.0,0.0,1.426467198918993e-06
dissociation__stress_pyridine_n_oxide__whole_environment__6A,stress_pyridine_n_oxide,whole_environment,6.0,21,12,0.786403347668229,0.7881781547638839,0.6999779617239636,0.7401304454303357,0.9304584709422646,0.9195296224844361,0.5732883750855796,0.5200577796901084,0.5367583495623481,0.06515121785700616,-0.0023373288568109274,0.0034593655727803707,0.019864480942487717,0.08825775514591593,0.01659264601767063,0.0,0.0,7.754084267036498e-08
dissociation__stress_pyridine_n_oxide__whole_environment__8A,stress_pyridine_n_oxide,whole_environment,8.0,21,12,0.36757085188715805,0.6796686804602261,0.42724145164282085,0.3367331183747431,0.5586501407635663,0.5422406616833668,0.5787385444378811,0.5911666985282015,0.6024555055328872,0.04954148251265348,-0.0023373293224722147,0.0034241965040564537,0.019864486530423164,0.09733594095213323,0.018603716045618057,0.0,0.0,9.234400347255672e-07
dissociation__stress_pyridine_n_oxide__whole_environment__10A,stress_pyridine_n_oxide,whole_environment,10.0,21,12,0.4017218889458938,0.7072367328580428,0.4788501364729132,0.41825989000702074,0.6388954901760051,0.6042854803725497,0.5827241821721062,0.6587027157655357,0.6668602263593844,0.04047282293262458,-0.0023373274598270655,0.003418352920562029,0.01986447535455227,0.10625642032520448,0.020575182512402534,0.0,0.0,9.919054128407212e-07
dissociation__stress_pyridine_n_oxide__whole_environment__15A,stress_pyridine_n_oxide,whole_environment,15.0,21,12,5.249035785898637,4.973832272063068,5.044445445903516,5.194722937060966,5.340139564273176,5.333499240431577,0.5892803836295837,0.8215269277363204,0.8258888442087573,0.02829601683330972,-0.0023373253643512726,0.003434315323829651,0.019864479079842567,0.1283462745341118,0.025442995131015778,0.0,0.0,1.0623064140152794e-05
dissociation__stress_pyridine_n_oxide__whole_environment__20A,stress_pyridine_n_oxide,whole_environment,20.0,21,12,0.4465938998199,0.9807546958079101,0.4995692199753021,0.46156751101978477,0.6844162472607248,0.6472975838353872,0.5933454442401711,0.9812084522772813,0.9839325322308478,0.021981016216780218,-0.002337326295673847,0.0034494479186832905,0.01986447349190712,0.15035946218391955,0.030280644074082375,0.0,0.0,7.881699175694284e-07
dissociation__dev_amino_alcohol_halogen__single_water__3A,dev_amino_alcohol_halogen,single_water,3.0,17,14,0.5756165882576258,0.7964594084675177,0.8982476197306639,0.7528521579244718,0.8748846989274724,0.8238340380192858,0.4999787452111232,0.2870702541240614,0.2975912972880416,0.06930605093747048,0.0007640724652446806,0.0005177825223654509,0.011447788216173649,0.02023606861202295,0.006814112421125174,5.998248891938424e-08,0.0,6.925214801568533e-08
dissociation__dev_amino_alcohol_halogen__single_water__4A,dev_amino_alcohol_halogen,single_water,4.0,17,14,0.2314374441580533,0.4218732903324605,0.535425661214965,0.38780267637592813,0.5373471396533942,0.4189385757955735,0.37534562175420355,0.2536863250203568,0.2619107656405099,0.03351584147241398,-6.922069587744772e-05,0.0004732077941298485,0.008688446134328842,0.019750577212119924,0.005956815555691719,1.3276133911297415e-07,0.0,9.533884912007323e-08
dissociation__dev_amino_alcohol_halogen__single_water__5A,dev_amino_alcohol_halogen,single_water,5.0,17,14,2.3715430013504095,2.3333007962976384,2.293311272163755,2.3863115399275596,2.316905593997411,2.3692225453873106,0.36079544369519373,0.21836044374273444,0.2228995738555955,0.019195003684783427,-0.000372980663087219,0.0004714366514235735,0.007927454076707363,0.0165786100862865,0.005020563490688801,3.706545266025929e-07,0.0,5.611311385163298e-07
dissociation__dev_amino_alcohol_halogen__single_water__6A,dev_amino_alcohol_halogen,single_water,6.0,17,14,1.7240396777615843,1.6892946485009668,1.6584020140611735,1.758204716353024,1.692667687491319,1.7370960052505293,0.36052258991244673,0.2011064490923273,0.20377211710034282,0.012742578657600036,-0.00042951275827363133,0.0004148693406023085,0.007754064630717039,0.014788120057546126,0.004559582099318504,1.4108155919553833e-07,0.0,1.548494934708322e-07
dissociation__dev_amino_alcohol_halogen__single_water__8A,dev_amino_alcohol_halogen,single_water,8.0,17,14,1.0812524984269503,1.0662353664814586,1.0511999880735294,1.1459316070436152,1.0934845163204776,1.1196740490779804,0.3610904482614806,0.18800860709647013,0.18913060399751194,0.007156940023876322,-0.00042951235082000494,0.00033548951614648104,0.007754089310765266,0.013199762381902496,0.0042039635591208935,2.112688309886812e-07,0.0,4.747350850105303e-07
dissociation__dev_amino_alcohol_halogen__single_water__10A,dev_amino_alcohol_halogen,single_water,10.0,17,14,0.7588838676307221,0.7664381829801746,0.7647307806683706,0.8468903300441938,0.8103824810123602,0.8195888535019039,0.36164450158274436,0.1743443441822833,0.17483689390585005,0.004409133770146225,-0.00042951246723532677,0.00030110497027635574,0.007754080928862095,0.011625408175309231,0.003856625873595476,7.972240098977346e-08,0.0,1.2730560346402384e-07
dissociation__dev_amino_alcohol_halogen__single_water__15A,dev_amino_alcohol_halogen,single_water,15.0,17,14,0.4008311806479165,0.47564473126349743,0.49064932219087015,0.535006745082065,0.5340757587043914,0.5120301352340021,0.3625399425181066,0.14116603443829226,0.14120244379798924,0.0015584172703366971,-0.0004295126418583095,0.00028037483571097255,0.00775407487526536,0.007789388740088375,0.0030401377007365227,3.2341978506333544e-07,0.0,2.2648960875185087e-07
dissociation__dev_amino_alcohol_halogen__single_water__20A,dev_amino_alcohol_halogen,single_water,20.0,17,14,0.25744945537093467,0.4019354964341236,0.41238899806513735,0.42609817147736495,0.44857091234182334,0.40957255428862716,0.3630167480810543,0.11265921788796547,0.11262554047629757,0.0005525331021317265,-0.00042951307841576636,0.00027555227279663086,0.007754068821668625,0.004386164753895579,0.0023570472840219736,2.793767387571089e-07,0.0,4.411375390412503e-07
dissociation__dev_amino_alcohol_halogen__whole_environment__3A,dev_amino_alcohol_halogen,whole_environment,3.0,26,14,1.3021554055769202,1.166542050355603,1.1388115061664328,1.0498074896779823,1.1478711275226852,1.1622380976738096,1.0429854986063603,0.2690238040366197,0.24485864490949313,0.07515335560327722,-0.00024231200222857296,0.0035384062211960554,0.02622161991894245,0.020965654182916633,0.006405554246157408,3.061419459951531e-07,0.0,8.164864335850897e-08
dissociation__dev_amino_alcohol_halogen__whole_environment__4A,dev_amino_alcohol_halogen,whole_environment,4.0,26,14,0.5131268873783883,0.6822284666992755,0.7037944596224172,0.6089822381453351,0.7347743573934256,0.6564587948016439,0.5726858169792762,0.22608700562370948,0.2180563286876103,0.05858845378536453,-0.0009293124894611537,0.0010771033121272922,0.022211812436580658,0.015625053440430164,0.00603460380807519,9.960670476768336e-08,0.0,9.051667048006178e-08
dissociation__dev_amino_alcohol_halogen__whole_environment__5A,dev_amino_alcohol_halogen,whole_environment,5.0,26,14,14.737136120375734,14.509102617939163,14.50108788902557,14.801527990510925,14.595103307146044,14.612298312055808,0.46624963367986655,0.19545623801855608,0.1957734311586102,0.04588557735145383,-0.0015454107197001576,0.00022022658959031105,0.020817134529352188,0.012973423326984253,0.0054659778252244,1.0557373291558703e-07,0.0,1.8922981116081816e-06
dissociation__dev_amino_alcohol_halogen__whole_environment__6A,dev_amino_alcohol_halogen,whole_environment,6.0,26,14,0.6841981443159069,0.7510555162446737,0.7773996381360357,0.7592856590298107,0.8293499832328113,0.727435971757695,0.46567909904908594,0.1633099800580403,0.16410016965789154,0.02874019683156699,-0.0016960286302492023,0.0001806180807761848,0.020717518404126167,0.011231719350319233,0.004536718595772982,3.4295255876707134e-07,0.0,5.893625925831869e-07
dissociation__dev_amino_alcohol_halogen__whole_environment__8A,dev_amino_alcohol_halogen,whole_environment,8.0,26,14,1.5673275783938394,1.3871203344546787,1.4180510766910877,1.7759142195470417,1.5724103456273144,1.5508668917435047,0.4684143395659415,0.12486202328928982,0.12433078874909054,0.011551142488429934,-0.0016960272332653403,0.00020845874678343534,0.02071751095354557,0.013983462812357926,0.003308866871520877,2.4115897863732916e-07,0.0,1.939263430286546e-07
dissociation__dev_amino_alcohol_halogen__whole_environment__10A,dev_amino_alcohol_halogen,whole_environment,10.0,26,14,1.0079715064397559,0.8674062075436085,0.8977080904277013,1.2562309743075053,1.0671014780855836,1.0267328367663218,0.47203307669670913,0.0977600809212657,0.09691570814925747,0.0033022058492484596,-0.001696030143648386,0.00018873950466513634,0.02071751281619072,0.019264997162066158,0.002460073446854949,8.699062780878619e-08,0.0,6.190143586517344e-07
dissociation__dev_amino_alcohol_halogen__whole_environment__15A,dev_amino_alcohol_halogen,whole_environment,15.0,26,14,0.47836380827226277,0.5312428202331285,0.49881691741641976,0.7846866511997941,0.6499780824801813,0.567615152205048,0.4789696873429487,0.11573041123403846,0.11596918874041874,0.004461488627390797,-0.0016960268840193748,0.00019480084301903844,0.020717550069093704,0.03464760318992401,0.0032666868064552546,4.587846164170323e-07,0.0,8.505702843442098e-07
dissociation__dev_amino_alcohol_halogen__whole_environment__20A,dev_amino_alcohol_halogen,whole_environment,20.0,26,14,0.29205865315085183,0.5699203007109765,0.43628481599998586,0.6311201686535699,0.541997783716202,0.43576365738717304,0.48332849040489095,0.2037266872106735,0.20415507923660817,0.006406089695681952,-0.0016960304928943515,0.00019598050857894123,0.020717553794384003,0.05058370914615691,0.006045729853212833,7.494824140106236e-07,0.0,4.0046952559658067e-07
dissociation__dev_aza_aryl_ether__single_water__3A,dev_aza_aryl_ether,single_water,3.0,18,15,0.3881910336454071,0.5510620576064847,0.5298698420345352,0.5227210533542339,0.5115706613508262,0.5587195285500406,0.28093095739488033,0.12213697379048473,0.12546217022650785,0.02402732876186319,0.0007692148792557418,0.0006863606395199895,0.009833264164626598,0.010005719188489802,0.0033409211318939924,1.6682831201556003e-07,0.0,1.4794619546923578e-07
dissociation__dev_aza_aryl_ether__single_water__4A,dev_aza_aryl_ether,single_water,4.0,18,15,0.20096245405477298,0.35071976270140226,0.3483160269966723,0.37326694351024,0.3466183746030233,0.35177381815359526,0.26244321987463926,0.16028918206845402,0.1661125104073916,0.02109823608284084,8.654536213725805e-05,0.0007937460904940963,0.008426357991993427,0.015985578453273912,0.004617947153747082,1.736930602873419e-07,0.0,4.063532832703637e-08
dissociation__dev_aza_aryl_ether__single_water__5A,dev_aza_aryl_ether,single_water,5.0,18,15,0.15046774290588322,0.2999371674892204,0.3089096443569923,0.344417754991617,0.31381016700547815,0.2979389005992557,0.2801381429506231,0.18795889615739736,0.19369142681704438,0.017747462868953446,-0.0002093469665851444,0.0007526258705183864,0.007885106839239597,0.019922193142870314,0.005493764765560627,1.645105679286274e-07,0.0,4.462203946186544e-08
dissociation__dev_aza_aryl_ether__single_water__6A,dev_aza_aryl_ether,single_water,6.0,18,15,0.13470137606367305,0.29151028953263575,0.3035418192925563,0.34093498250898524,0.30994146236783165,0.2876737413822099,0.28148093900317955,0.20147014694366877,0.20612148222517176,0.014229565872555014,-0.0002662294718902558,0.0006517598521895707,0.0077853938564658165,0.02161009326495709,0.005880661774426699,1.3414413064507733e-07,0.0,8.248114231814308e-08
dissociation__dev_aza_aryl_ether__single_water__8A,dev_aza_aryl_ether,single_water,8.0,18,15,0.09851515255844968,0.2653081510468922,0.2868417801345807,0.3369659188360474,0.29333010082822697,0.2609126442967922,0.27987900997116655,0.2103189437111919,0.2131331966216976,0.009299578994260971,-0.0002662309561856091,0.0005626135971397161,0.007785385940223932,0.02249964941598753,0.006098806858062744,6.633068356728944e-08,0.0,5.26671773684248e-08
dissociation__dev_aza_aryl_ether__single_water__10A,dev_aza_aryl_ether,single_water,10.0,18,15,0.08284056370097248,0.25359627488549885,0.2818631964931911,0.340117005874867,0.28882620795970126,0.24917237360802372,0.27920583849301,0.21836378174435392,0.22021474538155736,0.006728396148583903,-0.00026623086887411773,0.0005513524520210922,0.007785380817949772,0.023398557791974195,0.006318301428109407,1.4318983677799949e-07,0.0,6.192354704972016e-08
dissociation__dev_aza_aryl_ether__single_water__15A,dev_aza_aryl_ether,single_water,15.0,18,15,0.07479050714295814,0.24752272012640206,0.28139618255356597,0.34919831520516414,0.28957623581199005,0.2412856233570541,0.2785970969254821,0.23736313740954246,0.2381852137738115,0.003767439914447434,-0.0002662295592017472,0.0005591080407612026,0.007785368245095015,0.02568063355037917,0.00687215942889452,1.376002094384543e-07,0.0,4.684149362875825e-08
dissociation__dev_aza_aryl_ether__single_water__20A,dev_aza_aryl_ether,single_water,20.0,18,15,0.2460448503129638,0.3269844701272084,0.36845335553578595,0.4602501524354514,0.3896226673277752,0.3439624469853787,0.27840718740643233,0.2560255891816467,0.25647338173006246,0.0025106269963736634,-0.00026623104349710047,0.0005604366888292134,0.007785376626998186,0.02800272976751862,0.007432057522237301,1.6689562427375793e-07,0.0,6.194915554928043e-08
dissociation__dev_aza_aryl_ether__whole_environment__3A,dev_aza_aryl_ether,whole_environment,3.0,27,15,0.4695750677010983,0.8790658640232535,0.7646882186614024,0.6736965846765842,0.7505131354538679,0.8866137921684989,0.6161412127790492,0.23204698814828945,0.25908446953014397,0.11593172824675677,0.00034342706203460693,0.0014292654814198613,0.02406306006014347,0.024529056688878958,0.009107617661356926,1.2572841747750252e-07,0.0,6.684083451655165e-08
dissociation__dev_aza_aryl_ether__whole_environment__4A,dev_aza_aryl_ether,whole_environment,4.0,27,15,0.31525408087722046,0.5488685490170732,0.47937003510676524,0.3967579005607701,0.4987570234706624,0.5452242217944181,0.46843237267773236,0.2514250415795108,0.27438660218296573,0.0784629104847061,-0.0003888777282554656,0.001207045977935195,0.0246179960668087,0.02698267876540391,0.009659870527684689,2.2233018247622138e-07,0.0,4.781045481391799e-08
dissociation__dev_aza_aryl_ether__whole_environment__5A,dev_aza_aryl_ether,whole_environment,5.0,27,15,0.23596479311324708,0.4666676880237573,0.4439681746272727,0.371508368575037,0.4832908442045438,0.47195045735655233,0.4758739878793914,0.2689963319029024,0.28711270173447484,0.06106570675198602,-0.0008269649697467685,0.0009733630577102304,0.0248532984405756,0.029137071288217027,0.010148548521101475,2.1781726227375342e-07,0.0,4.438848388247513e-08
dissociation__dev_aza_aryl_ether__whole_environment__6A,dev_aza_aryl_ether,whole_environment,6.0,27,15,0.21764068672801457,0.4848673600684346,0.4691178864024213,0.3910897559321144,0.5092877051223199,0.4888215436086213,0.4721055636407662,0.2849339705555161,0.29944698739676884,0.050351461761279324,-0.0008926260634325445,0.0008326559327542782,0.024864062666893005,0.03130455295582738,0.010605386458337307,8.332666587979043e-08,0.0,6.336546695337453e-08
dissociation__dev_aza_aryl_ether__whole_environment__8A,dev_aza_aryl_ether,whole_environment,8.0,27,15,0.1750580215178999,0.47563930597208126,0.4716844610372565,0.40624926284745727,0.5116909933282441,0.4788388359607806,0.46809769135109064,0.30706817167823536,0.31670605654686057,0.036601315339520345,-0.000892626354470849,0.0008123660227283835,0.024864038452506065,0.03440060964259645,0.011238543316721916,2.3344782031954614e-07,0.0,5.319108803587824e-08
dissociation__dev_aza_aryl_ether__whole_environment__10A,dev_aza_aryl_ether,whole_environment,10.0,27,15,0.15268574782299976,0.4687381000401146,0.47357089955548126,0.42112162501682465,0.51452586762304,0.4722491236571652,0.46618987975025344,0.32706931453232807,0.33392211016976026,0.02862724446447075,-0.0008926274604164064,0.0008522403659299016,0.024864034727215767,0.03752891392494025,0.011869094334542751,1.5493932683076708e-07,0.0,1.2928632470154966e-07
dissociation__dev_aza_aryl_ether__whole_environment__15A,dev_aza_aryl_ether,whole_environment,15.0,27,15,0.13881033363460413,0.4706248118943638,0.4807457967841134,0.4483809167621472,0.5242352017414518,0.4694105316911494,0.46420865818378615,0.37359079685250984,0.3770941276149124,0.018271937785866194,-0.00089262705296278,0.0009277558419853449,0.024864081293344498,0.045481268455993075,0.013446730561554432,1.2162247793080783e-07,0.0,2.373762636107002e-07
dissociation__dev_aza_aryl_ether__whole_environment__20A,dev_aza_aryl_ether,whole_environment,20.0,27,15,0.1389995296257928,0.48481033699502474,0.4848926853173052,0.4619992209048556,0.5299780003260804,0.4700510057796201,0.4635064893396605,0.4184520685695018,0.4205457832837232,0.013257743331012803,-0.0008926241425797343,0.0009524348424747586,0.024864012375473976,0.05357047798064815,0.01503072027117014,4.316311574652232e-07,0.0,1.1578226788780399e-07
dissociation__dev_cyano_ether__single_water__3A,dev_cyano_ether,single_water,3.0,13,10,3.1422988173265436,1.6657906174677597,1.757983375030573,1.8071562169484126,1.7512274890510302,1.659805434769846,1.9385698264626392,0.3300328061819231,0.3189303510472865,0.10412426186892829,-0.00014435699267778546,0.0006288741715252399,0.020539196208119392,0.03618453646960435,0.007855369709432125,0.0,0.0,4.1999976413409357e-07
dissociation__dev_cyano_ether__single_water__4A,dev_cyano_ether,single_water,4.0,13,10,0.9096070949766795,0.5956316425150594,0.7722828358395836,0.7540814790689263,0.7651595438381462,0.584798315325788,0.7712524829912196,0.3615963940855686,0.35205444735376795,0.045247662556207255,-0.00021617929451167583,0.001029396546073258,0.01878340169787407,0.02696074139788665,0.00847340002655983,0.0,0.0,1.0193951498899123e-07
dissociation__dev_cyano_ether__single_water__5A,dev_cyano_ether,single_water,5.0,13,10,1.8764443601678502,2.0968941497663787,2.107460807671997,2.0175614991058404,2.088889735870587,2.063539449574257,0.502025001025685,0.4423259748269087,0.431179216129688,0.021212264522634316,-0.00039066257886588573,0.0006392380455508828,0.0182199627161026,0.022582565728812336,0.00978582352399826,0.0,0.0,6.318507832616185e-06
dissociation__dev_cyano_ether__single_water__6A,dev_cyano_ether,single_water,6.0,13,10,2.2623985825637027,2.4130268382976388,2.3165578802771787,2.265257636239066,2.2903259270804046,2.371258383252314,0.49512337891595404,0.4629694092896876,0.4553044112171287,0.013584505641508574,-0.0004460877098608762,0.0004706608597189188,0.01833205856382847,0.023710615754985436,0.010309799574315548,0.0,0.0,4.169813867024169e-07
dissociation__dev_cyano_ether__single_water__8A,dev_cyano_ether,single_water,8.0,13,10,1.210911491720459,1.3907875863984014,1.3279907884456879,1.245855328363908,1.290343746403234,1.329978420530543,0.49548088695920406,0.46027927752156234,0.4565388147315103,0.007338307837651365,-0.0004460874479264021,0.0004492697771638632,0.018332060426473618,0.024609344457096505,0.010408029891550541,0.0,0.0,1.555518433244557e-07
dissociation__dev_cyano_ether__single_water__10A,dev_cyano_ether,single_water,10.0,13,10,0.7608587896408459,0.9722111870265336,0.939224962289073,0.834509241911042,0.8970216359462102,0.8973978164140981,0.4959263093073144,0.46055681516236047,0.4584736670527225,0.0051631235955348215,-0.00044608686584979296,0.0004371987306512892,0.018332043662667274,0.025586160251616308,0.010526078753173351,0.0,0.0,6.35641862821272e-07
dissociation__dev_cyano_ether__single_water__15A,dev_cyano_ether,single_water,15.0,13,10,0.3178831707244027,0.6107021597793101,0.6208243596673888,0.4920240453487835,0.5826552000569198,0.5068352903067018,0.4967487207665006,0.4671266475747849,0.4664679675549308,0.0032500839438645555,-0.0004460887867026031,0.00041544190025888383,0.01833205111324787,0.028370340408543897,0.010911166667938232,0.0,0.0,2.5366922790288383e-07
dissociation__dev_cyano_ether__single_water__20A,dev_cyano_ether,single_water,20.0,13,10,0.16069422626612775,0.5289186139919021,0.5413823306893933,0.4140391695295433,0.511870934047444,0.3972812198998818,0.4972675549492066,0.47885609113243893,0.4785782731456283,0.0024689032150433435,-0.00044608855387195945,0.0004075334290973842,0.018332047387957573,0.03147046995599523,0.01140398159623146,0.0,0.0,6.008732606529316e-08
dissociation__dev_cyano_ether__whole_environment__3A,dev_cyano_ether,whole_environment,3.0,22,10,0.9007068282905633,1.7301223966631347,1.5274966476694583,1.14166696708722,1.4360457258016526,1.4673839552842447,1.4987150752435086,0.8638751291290385,0.8600878810121447,0.3956258924078267,-0.003775595221668482,0.0017039816593751311,0.02499019354581833,0.15829376328163983,0.029655838385224342,0.0,0.0,1.7020628114393366e-07
dissociation__dev_cyano_ether__whole_environment__4A,dev_cyano_ether,whole_environment,4.0,22,10,0.36528511157531873,1.262185159258049,0.9669284818549992,0.5840628289590548,0.8172051968268901,0.8245936315394755,0.9193675955951315,0.8161157012403076,0.8409485751623262,0.23373806914435047,-0.0039909593760967255,0.0001763033214956522,0.021645614877343178,0.15131311412265952,0.029029080644249916,0.0,0.0,1.2258362814404622e-07
dissociation__dev_cyano_ether__whole_environment__5A,dev_cyano_ether,whole_environment,5.0,22,10,0.3676948116408496,1.3166607069668184,1.158206032470185,0.5790426528065767,0.7790737608282924,0.6882882694579884,0.8820411771608899,0.8445167994288,0.8673002141694678,0.1786728751919877,-0.004378971643745899,-0.0003096663858741522,0.020460501313209534,0.1538100172600315,0.02994055673480034,0.0,0.0,9.624589457457957e-07
dissociation__dev_cyano_ether__whole_environment__6A,dev_cyano_ether,whole_environment,6.0,22,10,0.9714480193435274,1.7940137655491688,1.6125275271098118,0.9827903736404108,1.1168752734089284,1.1137199455985596,0.8965082431803104,0.9056303525732811,0.9260748199617947,0.1519980697845656,-0.004477376583963633,-0.0003302612458355725,0.020368043333292007,0.16332334191250936,0.03197683393955231,0.0,0.0,5.007783649563224e-07
dissociation__dev_cyano_ether__whole_environment__8A,dev_cyano_ether,whole_environment,8.0,22,10,0.5397652073291196,1.0036291138016247,0.6175953822688967,0.6652215561748112,0.6540232940720714,0.5759640898719633,0.9070015551543804,1.0160590066154,1.03082757403493,0.11739856471963404,-0.004477376118302345,-0.0002705480146687478,0.020368054509162903,0.18071759775365878,0.03560640662908554,0.0,0.0,1.4632504962471676e-07
dissociation__dev_cyano_ether__whole_environment__10A,dev_cyano_ether,whole_environment,10.0,22,10,0.3447431536889487,1.183203872949207,0.6832558587160935,0.5209959293291575,0.5651758984105827,0.46256780607180337,0.9160835869921191,1.1271529489931587,1.1377266607927938,0.09596292511056795,-0.004477380774915218,-0.00029011553851887584,0.02036806382238865,0.19832298823053546,0.039296455681324005,0.0,0.0,9.984468573101535e-07
dissociation__dev_cyano_ether__whole_environment__15A,dev_cyano_ether,whole_environment,15.0,22,10,0.23438429990204868,1.5073857604576264,0.7895992952325532,0.49005356945296835,0.5812428914917194,0.44716044608822264,0.9322189495369605,1.3964287554535844,1.40158365556246,0.06724338131620783,-0.0044773779809474945,-0.00030452574719674885,0.020368050783872604,0.241384772898472,0.0483664870262146,0.0,0.0,6.297684740233858e-07
dissociation__dev_cyano_ether__whole_environment__20A,dev_cyano_ether,whole_environment,20.0,22,10,0.11129727024320712,1.8312943775003627,0.8764791842054883,0.4303413834264312,0.5595838549520152,0.4271799730899336,0.9428997618529087,1.6615420572751347,1.6643359879016868,0.052379357211691145,-0.0044773779809474945,-0.00030953012173995376,0.020368052646517754,0.283938484825644,0.05736654996871948,0.0,0.0,1.5642880914212842e-07
dissociation__dev_cyclic_carbamate__single_water__3A,dev_cyclic_carbamate,single_water,3.0,20,17,0.6212736472132515,0.8117679684878211,0.8091554454764047,0.7460682489653793,0.8009896320187889,0.8637908868774712,0.3688722348281495,0.25507182299259185,0.2712655506275418,0.06988311648575077,0.0014541331911459565,0.0004132536123506725,0.019882913678884506,0.021209417506411404,0.0065621319226920605,0.0,0.0,1.7729394124685327e-07
dissociation__dev_cyclic_carbamate__single_water__4A,dev_cyclic_carbamate,single_water,4.0,20,17,4.12553429654866,4.015495988611608,4.045134824390119,4.078214427615955,4.0258608695952995,3.9740053694129047,0.24263017713518223,0.2920704899216827,0.30495607152425097,0.04235094176982416,0.0007467350806109607,0.0007173708290793002,0.020647147670388222,0.02379124604632926,0.007379304151982069,0.0,0.0,1.4922120739578604e-06
dissociation__dev_cyclic_carbamate__single_water__5A,dev_cyclic_carbamate,single_water,5.0,20,17,2.315045246560543,2.2683875131818816,2.305510412004495,2.306980497764788,2.2985109464673963,2.2559334659597408,0.2644240027627567,0.3169946780113772,0.3254516506030417,0.028979612696401688,0.00014890162856318057,0.0009254594333469868,0.021388493478298187,0.024822011807969797,0.007808022201061249,0.0,0.0,1.1633993616567972e-07
dissociation__dev_cyclic_carbamate__single_water__6A,dev_cyclic_carbamate,single_water,6.0,20,17,1.7070629264426473,1.6551138006004498,1.7023540399643096,1.704295953676461,1.7000456846298078,1.6513268589726062,0.2672590910715931,0.3394069606228912,0.3456266735361013,0.022059190631696073,3.7347479519667104e-05,0.0008704980136826634,0.021641746163368225,0.026009124928872734,0.008257211185991764,0.0,0.0,2.988102924816882e-07
dissociation__dev_cyclic_carbamate__single_water__8A,dev_cyclic_carbamate,single_water,8.0,20,17,1.0830377187551963,1.0411399175928582,1.0912980429781682,1.1004568921847278,1.0882884089777063,1.0368483958560202,0.2661075900588124,0.34118135838655683,0.3445986414200313,0.013290095440232704,3.7347501347539946e-05,0.000777868670411408,0.021641751751303673,0.02592286966382929,0.008229252882301807,0.0,0.0,5.597090074944445e-07
dissociation__dev_cyclic_carbamate__single_water__10A,dev_cyclic_carbamate,single_water,10.0,20,17,0.7744247981853318,0.7480109475455897,0.7955089960746461,0.8098742439280234,0.7921396390752066,0.7439101028915952,0.2656959447301998,0.34150109404356294,0.34356642535009774,0.008959955130852909,3.7347490433603525e-05,0.0007586134015582502,0.02164173498749733,0.025836620248396724,0.0082011753693223,0.0,0.0,4.106223504664677e-07
dissociation__dev_cyclic_carbamate__single_water__15A,dev_cyclic_carbamate,single_water,15.0,20,17,0.4414954877738006,0.45428645152992075,0.49384129734060556,0.5130355940155793,0.4903015856194433,0.45224984096822224,0.2653814091958492,0.34022670216475864,0.3410080220420529,0.004350218162381001,3.734822530532256e-05,0.0007583943661302328,0.02164173126220703,0.025624391983679756,0.008131474256515503,0.0,0.0,2.6693671253442963e-08
dissociation__dev_cyclic_carbamate__single_water__20A,dev_cyclic_carbamate,single_water,20.0,20,17,0.31046332455927256,0.35467050457205707,0.3889623127344148,0.40768883662672845,0.38566627115215546,0.3555568112100959,0.26529581752577586,0.3380912399854927,0.33846897040152374,0.0025746202747692964,3.734733763849363e-05,0.0007591610192321241,0.02164175547659397,0.025415992008591303,0.008062193170189857,0.0,0.0,1.7783124446743223e-07
dissociation__dev_cyclic_carbamate__whole_environment__3A,dev_cyclic_carbamate,whole_environment,3.0,29,17,1.6740795739168801,1.8503656361701328,1.792061442259242,1.9984591733195065,1.8746681522527282,2.0174943077606677,0.4311802378980734,0.23805585631799375,0.2486860130500474,0.07477827222484217,0.002042636973783374,0.002599509200081229,0.022278467193245888,0.03587980587519473,0.007226444780826569,0.0,0.0,3.79082811744879e-06
dissociation__dev_cyclic_carbamate__whole_environment__4A,dev_cyclic_carbamate,whole_environment,4.0,29,17,2.0500444256492547,2.188191420374035,2.1990539012325137,2.1755885314879007,2.0544919987811796,2.0414852831126926,0.3630974970234429,0.19393025035920605,0.19926140891788502,0.03569502027300589,0.001651746453717351,0.002179637085646391,0.02361452952027321,0.026728211443470595,0.005643350072205067,0.0,0.0,8.025542656657503e-07
dissociation__dev_cyclic_carbamate__whole_environment__5A,dev_cyclic_carbamate,whole_environment,5.0,29,17,1.712529402146839,1.872436726104251,1.8929099979561255,1.8627753489838064,1.7719735810781336,1.733869896901826,0.3745925095307023,0.1882157441818956,0.19232945590595882,0.025560970362615218,0.0013159709051251411,0.0019115563482046127,0.02415776625275612,0.024131875175246887,0.005438127554953098,0.0,0.0,3.207386405079671e-07
dissociation__dev_cyclic_carbamate__whole_environment__6A,dev_cyclic_carbamate,whole_environment,6.0,29,17,1.4797591102499041,1.6463179047142602,1.671679398371389,1.650021692732637,1.5539326031952976,1.5061753953053894,0.3810269871042846,0.18369993425584474,0.18698554330877207,0.019783580512989916,0.0012230741558596492,0.0018325131386518478,0.02430075779557228,0.02322482993335528,0.0052829645574092865,0.0,0.0,5.397019125011338e-07
dissociation__dev_cyclic_carbamate__whole_environment__8A,dev_cyclic_carbamate,whole_environment,8.0,29,17,1.4927944076055106,1.6820209529567494,1.7107296754482775,1.6896026198756842,1.5846870598424512,1.5225548406907337,0.3926629890843954,0.1631611485093811,0.1645788694486586,0.011077380157727074,0.0012230768334120512,0.0018110114615410566,0.024300768971443176,0.022187860006675303,0.004534410312771797,0.0,0.0,2.155308188867e-07
dissociation__dev_cyclic_carbamate__whole_environment__10A,dev_cyclic_carbamate,whole_environment,10.0,29,17,1.2191562946345011,1.4269867628747337,1.4527399011609718,1.4427804975667653,1.3211949368511335,1.2565469750078648,0.3999347726889652,0.14434699258310366,0.1448185324272656,0.006279918609044477,0.0012230753200128675,0.0017982539720833302,0.02430073916912079,0.022127034330590482,0.0038459247443825006,0.0,0.0,6.445255917517101e-08
dissociation__dev_cyclic_carbamate__whole_environment__15A,dev_cyclic_carbamate,whole_environment,15.0,29,17,0.46216678882390066,0.7282939527089208,0.7468274010963228,0.759225872942837,0.6224031844517138,0.5438364208109222,0.40984852828103047,0.11466426636836238,0.11443511957246773,0.0007897335605558255,0.0012230764841660857,0.0018067702185362577,0.024300726130604744,0.025935532204058896,0.002644525608047843,0.0,0.0,5.729652518497025e-07
dissociation__dev_cyclic_carbamate__whole_environment__20A,dev_cyclic_carbamate,whole_environment,20.0,29,17,0.38636067675446994,0.6965384223948727,0.6859239797108495,0.7041036841762631,0.5613835595113561,0.48623442266359307,0.41487661638219364,0.12506843342530305,0.12502552041482826,0.0013640853962593735,0.0012230740394443274,0.0018108062213286757,0.02430073916912079,0.03353196571488211,0.002916779601946473,0.0,0.0,5.743849504098036e-07
dissociation__dev_hydroxy_nitrile__single_water__3A,dev_hydroxy_nitrile,single_water,3.0,16,13,0.48972745520825944,0.6228712575435995,0.7110563875759577,0.5439413199991409,0.680355996808198,0.6502542685542516,0.5321233621986767,0.2165462565873047,0.22087035162348645,0.05172425034799959,0.0007842305349186063,0.0002038989041466266,0.009491206146776676,0.022271887067343822,0.004751112777739763,0.0,0.0,8.522646683436358e-08
dissociation__dev_hydroxy_nitrile__single_water__4A,dev_hydroxy_nitrile,single_water,4.0,16,13,0.1920305422359807,0.3439642675635993,0.3851741629760828,0.40604121932859616,0.3850494941936827,0.3442435490089662,0.3019060865404626,0.11655099585321253,0.11869108848312536,0.014715763329255817,6.061076419427991e-06,-4.180317046120763e-05,0.008150828070938587,0.014915709316283278,0.002475515240803361,0.0,0.0,3.9982652442777794e-08
dissociation__dev_hydroxy_nitrile__single_water__5A,dev_hydroxy_nitrile,single_water,5.0,16,13,0.12639250686727496,0.31488795083469356,0.32861234696206687,0.4336342051733885,0.3357660440132962,0.300775862260197,0.26404647312160817,0.060472058559806335,0.061622959307369246,0.005172008913542766,-0.0005397613858804107,0.00013202964328229427,0.00778273306787014,0.01145357634144589,0.00127886061090976,0.0,0.0,1.0335704297634307e-07
dissociation__dev_hydroxy_nitrile__single_water__6A,dev_hydroxy_nitrile,single_water,6.0,16,13,0.101546198502322,0.32041958697735146,0.3247711645308568,0.44484367239655925,0.33161320828708585,0.2995525310264674,0.28098054788455107,0.031389545162022525,0.03145289471891838,0.0015113052160224333,-0.0006365766166709363,0.00019013628480024636,0.007786908652633429,0.009186858282398987,0.0007008766406215727,0.0,0.0,1.0986249887254274e-07
dissociation__dev_hydroxy_nitrile__single_water__8A,dev_hydroxy_nitrile,single_water,8.0,16,13,0.06757187348177804,0.3203303896627302,0.31346682189417124,0.457225585605299,0.31668634671684787,0.29503182368250547,0.2892080944355704,0.024814035110552694,0.024632613998296592,0.00044659466673229256,-0.0006365770241245627,0.00017109312466345727,0.007786914706230164,0.00694833742112367,0.0005833038012497127,0.0,0.0,2.071585393189409e-07
dissociation__dev_hydroxy_nitrile__single_water__10A,dev_hydroxy_nitrile,single_water,10.0,16,13,0.04562385629169366,0.3230733011546819,0.30554489283483605,0.46728598024608176,0.3061138932463598,0.2929823326562749,0.2936625154212735,0.042547608941339875,0.04265697745826286,0.0011279828321090475,-0.0006365753361023962,0.00014832071610726416,0.007786908652633429,0.004898784957499171,0.0009601743659004569,0.0,0.0,1.4070342384698425e-08
dissociation__dev_hydroxy_nitrile__single_water__15A,dev_hydroxy_nitrile,single_water,15.0,16,13,0.12773321779569555,0.3342911449289532,0.2885952572253636,0.5037543878259004,0.3143406480664048,0.3214902530000194,0.2989857290430236,0.10830029300893455,0.10852971615612143,0.0016221235957880028,-0.0006365759181790054,0.00012855036766268313,0.007786908652633429,0.003794271404091666,0.0023574589285999537,0.0,0.0,2.167771108113419e-06
dissociation__dev_hydroxy_nitrile__single_water__20A,dev_hydroxy_nitrile,single_water,20.0,16,13,0.37142931197596246,0.4467479520324232,0.3915504917103383,0.6376780405433088,0.4579999214983603,0.4735132436804595,0.3013805597590683,0.17758770301809118,0.1777727353747417,0.0016075059503931764,-0.0006365749868564308,0.00012113622506149113,0.007786902599036694,0.008798123387552932,0.003837242955341935,0.0,0.0,8.048788807213207e-07
dissociation__dev_hydroxy_nitrile__whole_environment__3A,dev_hydroxy_nitrile,whole_environment,3.0,25,13,1.820186670569414,1.128338158727658,1.1001237169163678,0.9733348423244408,1.1077402195766735,1.1265105585398307,1.7091978369944447,0.16321530717073723,0.12479980840178663,0.11348271368215708,-0.00016117091581691056,0.003122104797512293,0.015126286074519157,0.030759858722297334,0.00383631675504148,1.6615599998312525e-07,0.0,1.399987663557728e-06
dissociation__dev_hydroxy_nitrile__whole_environment__4A,dev_hydroxy_nitrile,whole_environment,4.0,25,13,0.8526815220607875,0.7397914474485856,0.7177596740768019,0.7152766969786702,0.7324657499834676,0.7377051215018072,0.5620373629055413,0.13813400228086253,0.12981836667211732,0.018145766522387557,-0.00028321269201114774,0.0013040835037827492,0.014790691435337067,0.0319177901228609,0.004093680065125227,7.752658617073832e-08,0.0,2.95581622546115e-07
dissociation__dev_hydroxy_nitrile__whole_environment__5A,dev_hydroxy_nitrile,whole_environment,5.0,25,13,0.26291547817218136,0.4242252593366935,0.4405064061916991,0.5965961399953457,0.46465154879886394,0.4300973830046399,0.3507225979170697,0.17001098264917192,0.16575284810079932,0.01802039593543138,-0.0007025891682133079,0.0005278213648125529,0.015107772313058376,0.03767117734639097,0.004815949127078056,1.244146845212602e-07,0.0,1.870235288793827e-07
dissociation__dev_hydroxy_nitrile__whole_environment__6A,dev_hydroxy_nitrile,whole_environment,6.0,25,13,0.1720945398083718,0.38534354656115444,0.3992477262822018,0.6188753343780139,0.42047534889657645,0.40006584608818535,0.3549573629117351,0.1617707961012508,0.15978719626893334,0.01469625859557837,-0.0007594926282763481,0.0006010968936607242,0.015072369948029518,0.03657822629227553,0.004607409704476595,1.3899521892615438e-07,0.0,9.028343068810674e-08
dissociation__dev_hydroxy_nitrile__whole_environment__8A,dev_hydroxy_nitrile,whole_environment,8.0,25,13,0.12368177296832349,0.37619434144590913,0.37885753053064214,0.6589659187695146,0.398243892558162,0.39895354731377114,0.361167423668435,0.14257075697968857,0.1415344289203008,0.00815999654743663,-0.0007594911148771644,0.0007252109353430569,0.015072356909513474,0.03384818437156936,0.004164337180554867,8.290965293868482e-08,0.0,7.87648269631909e-08
dissociation__dev_hydroxy_nitrile__whole_environment__10A,dev_hydroxy_nitrile,whole_environment,10.0,25,13,0.10496368718625966,0.3738326373121783,0.3707234407846401,0.682178007180332,0.3876328478851918,0.4009269199255414,0.36599255995200286,0.12675014065030227,0.12597827929250624,0.00437958285036772,-0.0007594865746796131,0.0007213882636278868,0.015072393231093884,0.0312976060051651,0.003796626580879092,8.756149711547367e-08,0.0,1.1974944039844226e-07
dissociation__dev_hydroxy_nitrile__whole_environment__15A,dev_hydroxy_nitrile,whole_environment,15.0,25,13,0.09402405523433607,0.3774701337417894,0.3653322877041005,0.7090738542691092,0.37806123218633875,0.4046595596651701,0.3730572185693316,0.1045753552608076,0.1040459360998271,0.0006082601189085231,-0.0007594904163852334,0.0006761623662896454,0.01507235411554575,0.02597105549752025,0.0033064638264477253,1.361818739915345e-07,0.0,3.1858222982426854e-07
dissociation__dev_hydroxy_nitrile__whole_environment__20A,dev_hydroxy_nitrile,whole_environment,20.0,25,13,0.09273255100348829,0.3894256083408273,0.3646496231159934,0.7213327770808012,0.37519641091228234,0.40656042501936973,0.3767160597470896,0.11080982349463439,0.11053063597428858,0.0014824445031519648,-0.0007594899507239461,0.0006502133328467607,0.01507237832993269,0.022195228861086762,0.003473496763035655,1.7374790722921724e-07,0.0,3.6923850343364636e-08
dissociation__dev_oxazolidinone__single_water__3A,dev_oxazolidinone,single_water,3.0,17,14,3.248734882902499,2.4275552100833244,2.419342204807469,2.637191078189114,2.4329683801355455,2.433951505074357,0.8975381875037733,0.19295707839915188,0.18786305863812208,0.042455448406638174,0.0003475649864412844,0.0016829280648380518,0.024524476379156113,0.009671877506837193,0.004151734057813883,2.168549124992314e-07,0.0,3.1384591796343887e-07
dissociation__dev_oxazolidinone__single_water__4A,dev_oxazolidinone,single_water,4.0,17,14,0.9502725899753097,0.7828074375279704,0.7921506100562927,0.8345918178350823,0.802648068506778,0.7811553707604546,0.24881358311232793,0.2076499158480672,0.20202291588329163,0.011259945272413233,0.00032813119469210505,0.0007015292067080736,0.021397052332758904,0.020210103881514646,0.004362693056464195,9.942140513641284e-08,0.0,2.0516053883968405e-07
dissociation__dev_oxazolidinone__single_water__5A,dev_oxazolidinone,single_water,5.0,17,14,0.25761823081654406,0.4154213970023898,0.3741237747567968,0.3389844970685546,0.37887272209731704,0.40976817874957433,0.18070344929774926,0.22477432373658837,0.2212926841221099,0.007251910031357296,0.00014341677888296545,0.00018971342069562525,0.020437870174646378,0.014675769722882748,0.004560742061585188,9.939422700687428e-08,0.0,1.4270170852273556e-07
dissociation__dev_oxazolidinone__single_water__6A,dev_oxazolidinone,single_water,6.0,17,14,0.09975982208282616,0.34707770041685804,0.26464907131181775,0.2297248560930954,0.26622076937190736,0.34014784334106096,0.2106862722928855,0.23314510206382108,0.23141308160830246,0.007234043279285857,8.720797632122412e-05,0.00040041288593783975,0.02027229592204094,0.010586906099733418,0.004737385082989931,1.3908975522985284e-07,0.0,6.389162213616545e-08
dissociation__dev_oxazolidinone__single_water__8A,dev_oxazolidinone,single_water,8.0,17,14,0.11757801421255824,0.32263754532805333,0.2371274574894487,0.21506505150145983,0.23549184590609692,0.3126250926708556,0.20795799863526843,0.2336790879408986,0.2327594061166179,0.004284852299025283,8.720744517631829e-05,0.0009896077681332827,0.02027229778468609,0.010313137059965267,0.004767691716551781,5.940246298324903e-08,0.0,9.845538732975844e-08
dissociation__dev_oxazolidinone__single_water__10A,dev_oxazolidinone,single_water,10.0,17,14,0.1334176611297712,0.3192176252054228,0.23224947194897683,0.2172795789212156,0.22918715751744945,0.30721585432369175,0.2071697903820677,0.23469939215785648,0.23415042785433418,0.002928470877696509,8.72076561790891e-05,0.0011031115427613258,0.02027229778468609,0.010042879799045213,0.004799123387783766,5.960105052180663e-08,0.0,3.992444618178617e-08
dissociation__dev_oxazolidinone__single_water__15A,dev_oxazolidinone,single_water,15.0,17,14,0.14683685523657525,0.32173580245661976,0.23093827060935565,0.2227609226754095,0.2265315617218749,0.3054753686317064,0.2067385941396715,0.23802886911312862,0.2378241545962927,0.0015181765120056377,8.7207299657166e-05,0.0011132683139294386,0.020272303372621536,0.009383835940988247,0.004882587119936943,7.940786157963065e-08,0.0,8.220539743711286e-08
dissociation__dev_oxazolidinone__single_water__20A,dev_oxazolidinone,single_water,20.0,17,14,0.05726843039509938,0.30792675631539157,0.19152243055064586,0.18989635077597777,0.19351544084819658,0.29258052649990457,0.2066697222641243,0.24187082457150794,0.24177117024038303,0.0009722580619061933,8.720892947167158e-05,0.0011171204969286919,0.020272281020879745,0.008751832748867004,0.004972829017788172,1.8861141733725675e-07,0.0,1.2597397788544767e-07
dissociation__dev_oxazolidinone__whole_environment__3A,dev_oxazolidinone,whole_environment,3.0,26,14,2.374746332981681,1.5509237172809585,1.511127942194825,1.7318311006236793,1.4958941630512002,1.6076578939176605,1.2015032211883134,0.08728069589228289,0.08461801128498225,0.020115558906443974,0.0028877879958599806,0.0022106098476797342,0.022244717925786972,0.0222588525127208,0.0023098504170775414,2.296254876781728e-07,0.0,2.0577317464982176e-07
dissociation__dev_oxazolidinone__whole_environment__4A,dev_oxazolidinone,whole_environment,4.0,26,14,1.2284970418005057,0.8639843918510955,0.7550959238987403,0.990074168904703,0.729323348702544,0.8913096881080171,0.6058716994528862,0.17752226443037952,0.17730304944878017,0.031702938929304224,0.0020698378793895245,0.0015828630421310663,0.02356685884296894,0.02719592181215735,0.005118188913911581,1.675886446761074e-07,0.0,3.2159961456043606e-07
dissociation__dev_oxazolidinone__whole_environment__5A,dev_oxazolidinone,whole_environment,5.0,26,14,0.4688563357414176,0.5214894134472423,0.41300233691168636,0.5281487124718398,0.32479486714779215,0.5160726831372489,0.30979351460463816,0.2787757975296954,0.2794526282087936,0.046188662260262456,0.001697587314993143,0.0013552866876125336,0.023969776928424835,0.03458427956008939,0.008136439137160778,1.799169619710883e-07,0.0,8.257665645022838e-08
dissociation__dev_oxazolidinone__whole_environment__6A,dev_oxazolidinone,whole_environment,6.0,26,14,0.3162856559045323,0.49135421681709046,0.4346669716453616,0.4752248363596736,0.31054259056260913,0.4335747933744862,0.2834373111161084,0.3284619013554323,0.32867913475426497,0.04521463120760907,0.0016374378465116024,0.0017751697450876236,0.023976698517799377,0.038077111827742434,0.00949417520314455,1.4093018554451123e-07,0.0,2.3726580173234063e-07
dissociation__dev_oxazolidinone__whole_environment__8A,dev_oxazolidinone,whole_environment,8.0,26,14,0.3186989591951294,0.5585660056049322,0.5116294743882791,0.5226525104646902,0.36467178572003944,0.4366393217966063,0.29703449812191285,0.36386807217023165,0.3636782247054898,0.03408926655837801,0.0016374418046325445,0.0023377479519695044,0.023976683616638184,0.03998311842788759,0.01038404181599617,1.2454212585267382e-07,0.0,1.4614633434646349e-07
dissociation__dev_oxazolidinone__whole_environment__10A,dev_oxazolidinone,whole_environment,10.0,26,14,0.32716708177845527,0.6060823445322918,0.5477798275022236,0.5464249496779543,0.3898390574357945,0.44267953675543553,0.30659157685958743,0.399169765879426,0.39919438729386825,0.0281846318005218,0.0016374391270801425,0.0024175159633159637,0.023976711556315422,0.04294217731791657,0.011309388093650341,8.378063873085498e-08,0.0,4.21470024679349e-08
dissociation__dev_oxazolidinone__whole_environment__15A,dev_oxazolidinone,whole_environment,15.0,26,14,0.34377526318671314,0.6947416609786246,0.5905724489359039,0.5775055221579416,0.4155342342726612,0.45322875690268044,0.3198088584716716,0.49126167074215027,0.49144347358311136,0.020255349930387894,0.0016374397091567516,0.0024229350965470076,0.02397671341896057,0.053033104901717934,0.013770029880106449,2.1773878753077354e-07,0.0,1.0325298613073769e-07
dissociation__dev_oxazolidinone__whole_environment__20A,dev_oxazolidinone,whole_environment,20.0,26,14,0.35752782005886435,0.7779763764097589,0.6151850464102845,0.5983012805575262,0.4297744593124275,0.4629419116622033,0.32705277348717454,0.5883171473612304,0.588400462377573,0.015994063006232982,0.0016374415718019009,0.002435028553009033,0.023976704105734825,0.0653394510304811,0.016403838992118835,1.0743880893455959e-07,0.0,1.537163968161337e-07
dissociation__dev_sulfonyl_amine__single_water__3A,dev_sulfonyl_amine,single_water,3.0,19,16,1.8447187206456546,1.3884285795141413,1.6085651618967476,1.6234215785451376,1.6004762898020979,1.4398108775285554,0.6911137445730768,0.3513853879873789,0.3354280154588881,0.12639221635793638,0.0007521038642153144,0.0024956001434475183,0.014485270716249943,0.0204164857215881,0.006908937357366085,1.7502454069395768e-06,0.0,3.9974268686848724e-07
dissociation__dev_sulfonyl_amine__single_water__4A,dev_sulfonyl_amine,single_water,4.0,19,16,0.39913103205071415,0.49563358853232237,0.5429110664273934,0.46458168014943363,0.5383998942966175,0.5061216530139464,0.3303695854932051,0.18847948880217574,0.1838979225628147,0.008341978096588048,0.00013573304750025272,0.00032518047373741865,0.015441925264894962,0.002138994827748566,0.003921059425920248,8.935385379738384e-08,0.0,4.728503721386501e-08
dissociation__dev_sulfonyl_amine__single_water__5A,dev_sulfonyl_amine,single_water,5.0,19,16,0.17596250348053266,0.371121986052291,0.37488932780388873,0.3345623126243034,0.3787850423730701,0.34086526514615956,0.28491983343759225,0.18406896198903808,0.18105007489918443,0.005088778135850576,-0.0002962083090096712,6.0218386352062225e-05,0.016171196475625038,0.0034067113737238142,0.003990571014583111,1.8031183913590904e-07,0.0,1.8520469294465436e-07
dissociation__dev_sulfonyl_amine__single_water__6A,dev_sulfonyl_amine,single_water,6.0,19,16,0.14797814735093875,0.35813186970571365,0.34351873389975573,0.3100902726801865,0.34811411440453727,0.3132767182655705,0.2874301791254732,0.19718453933824714,0.1950833908375897,0.004079065838114243,-0.00040502380579710007,0.0003658733330667019,0.01645502820611,0.005327603117134734,0.00433480367064476,2.0352163064649847e-07,0.0,2.2132321962544527e-07
dissociation__dev_sulfonyl_amine__single_water__8A,dev_sulfonyl_amine,single_water,8.0,19,16,0.12406240854724807,0.34529261361533026,0.31935061513756857,0.2836602291404864,0.3265421340169296,0.2948451380994984,0.2875908215264185,0.19834754757527812,0.19733692356893656,0.0027436827387653474,-0.0004050243878737092,0.0006668425630778074,0.01645502634346485,0.006743688880157986,0.0044270651414990425,2.021112581766446e-07,0.0,1.298410192297067e-07
dissociation__dev_sulfonyl_amine__single_water__10A,dev_sulfonyl_amine,single_water,10.0,19,16,0.10980844655290418,0.3410833474970266,0.30515659763040404,0.2757468007631754,0.3133710485624918,0.2851029492039348,0.2879723480476006,0.20134757302984044,0.2008303006892419,0.0022050625369193656,-0.0004050231073051691,0.0007306914776563644,0.01645502820611,0.00820102839510483,0.004544669296592474,9.989224687223866e-08,0.0,1.5698608873352532e-07
dissociation__dev_sulfonyl_amine__single_water__15A,dev_sulfonyl_amine,single_water,15.0,19,16,0.10374937217681707,0.3511790416207177,0.29107241460082683,0.2740637646312681,0.3010186779857676,0.27753243375341463,0.2887857095328923,0.21463059752080027,0.21453193723407302,0.0016075188029385796,-0.0004050253191962838,0.0007704042945988476,0.01645502634346485,0.011925176839577807,0.00493669044226408,6.411300756785365e-07,0.0,4.295660452780653e-08
dissociation__dev_sulfonyl_amine__single_water__20A,dev_sulfonyl_amine,single_water,20.0,19,16,0.10717408806923816,0.3737479956570032,0.28715600607274044,0.2755802602841061,0.29833932030908444,0.27646549073272714,0.28932814358744535,0.23426268444354253,0.23425706510443592,0.001294244570111548,-0.00040502252522855997,0.0007832904229871929,0.016455022618174553,0.01569864882250351,0.005443279165774584,1.7073488087736288e-07,0.0,1.3446150627389325e-07
dissociation__dev_sulfonyl_amine__whole_environment__3A,dev_sulfonyl_amine,whole_environment,3.0,28,16,0.8465350674813544,1.0598750919645954,0.9444593991716634,0.9716718566547659,0.9460556803176547,1.055510489237829,0.4670010457453996,0.21773433952313484,0.20598616677476253,0.03004738646420365,-0.00012344960123300552,0.0018474789103493094,0.00869366992264986,0.029717046408330224,0.005469110328704119,0.0,0.0,1.8262183106888819e-07
dissociation__dev_sulfonyl_amine__whole_environment__4A,dev_sulfonyl_amine,whole_environment,4.0,28,16,0.4075509473254168,0.5868161353763124,0.506061212382774,0.5092532898246199,0.5284112360043358,0.5417610516322431,0.33413560263138864,0.16249052581422493,0.15701348354053254,0.015463031113073388,-0.0009241641964763403,0.0014949212782084942,0.008419163525104523,0.02510763580042877,0.004181862808763981,0.0,0.0,2.6124278196433537e-08
dissociation__dev_sulfonyl_amine__whole_environment__5A,dev_sulfonyl_amine,whole_environment,5.0,28,16,0.30428028647364896,0.4856808002294157,0.40447914152484055,0.40000468255955957,0.43949806745201153,0.41856315710377023,0.33381082797831185,0.15421529935648134,0.15178555447317127,0.0159349866553588,-0.001167912851087749,0.0014667254872620106,0.00815526582300663,0.024957112742205138,0.004103562328964472,0.0,0.0,1.1972355539683482e-07
dissociation__dev_sulfonyl_amine__whole_environment__6A,dev_sulfonyl_amine,whole_environment,6.0,28,16,0.2773718432946202,0.4635381241133217,0.37944471286114245,0.3796768378525589,0.4202557724821769,0.3812778245541675,0.3400651008927314,0.1574265446662942,0.1566317269841129,0.015847897541496545,-0.001218980411067605,0.0015575251309201121,0.00810967106372118,0.025677042163167577,0.00426531070843339,0.0,0.0,2.7561680357706536e-07
dissociation__dev_sulfonyl_amine__whole_environment__8A,dev_sulfonyl_amine,whole_environment,8.0,28,16,0.254063105675137,0.4468753531608382,0.3474493384633243,0.3809752317432008,0.39752270857837596,0.3433889621314184,0.3471739762778511,0.18011969851048854,0.18081976584675782,0.014764827611161766,-0.001218979014083743,0.0017995950765907764,0.00810965895652771,0.028525370444008834,0.004987525753676891,0.0,0.0,4.33220436195543e-07
dissociation__dev_sulfonyl_amine__whole_environment__10A,dev_sulfonyl_amine,whole_environment,10.0,28,16,0.24964966827860602,0.45080391188976693,0.3312744456767519,0.3926488627520897,0.3867582686531797,0.32822724636728867,0.35271068125219596,0.20676798968910287,0.20780366635633726,0.013563338688838097,-0.0012189802946522832,0.0018870566273108125,0.008109658025205135,0.031871459845689724,0.005757778882980347,0.0,0.0,1.2209863410042252e-07
dissociation__dev_sulfonyl_amine__whole_environment__15A,dev_sulfonyl_amine,whole_environment,15.0,28,16,0.26021306863564175,0.49711480317314766,0.3166213982356233,0.41869690081560534,0.38113684726997105,0.32188164216248205,0.3611099939386778,0.27922135734752446,0.28004614972675834,0.011047182557249659,-0.001218978432007134,0.001966414973139763,0.00810966920107603,0.04128563117816809,0.007757772691547871,0.0,0.0,2.536588534704509e-07
dissociation__dev_sulfonyl_amine__whole_environment__20A,dev_sulfonyl_amine,whole_environment,20.0,28,16,0.2704131174460026,0.562640407652981,0.31270049481420154,0.4340920362453489,0.38251192850093124,0.32424385179465826,0.3657877380976128,0.35552843783455135,0.3560280406479624,0.009248313387600633,-0.001218975055962801,0.0019879909232258797,0.008109691552817822,0.05155055481445511,0.009825946763157845,0.0,0.0,1.486635247413895e-07
dissociation__dev_thio_amide__single_water__3A,dev_thio_amide,single_water,3.0,19,16,3.0809912194695492,2.1311755168188316,2.1710518688842235,2.4950591192070872,2.19294832919393,2.156790585990918,1.131390634715772,0.3601968296376063,0.3417791705789394,0.11209330039313123,0.0009112677071243525,0.0033652891870588064,0.00982112716883421,0.03243725498463264,0.00876582320779562,4.753603483065305e-07,0.0,4.448735893558542e-07
dissociation__dev_thio_amide__single_water__4A,dev_thio_amide,single_water,4.0,19,16,0.8445812552216861,0.5110920385358912,0.5484086296426305,0.662411647714625,0.5426109691821799,0.4988126265243197,0.5895118003121763,0.2827690855102001,0.2719042849493332,0.029723735762649375,0.0005912952474318445,0.0009426061878912151,0.011195815168321133,0.02743741859708997,0.00705138873308897,3.7524800367699784e-07,0.0,2.8444994569411935e-07
dissociation__dev_thio_amide__single_water__5A,dev_thio_amide,single_water,5.0,19,16,0.21728310621820335,0.29045510905513366,0.3586973617551403,0.3869187870306241,0.35533360106407536,0.28584470593578937,0.42355607524320954,0.29975584937155303,0.2945592462684739,0.020251391397252714,0.00010527033009566367,0.00042429688619449735,0.012328880839049816,0.026830010583231048,0.007402458228170872,5.063148254065737e-08,0.0,1.625970159294804e-07
dissociation__dev_thio_amide__single_water__6A,dev_thio_amide,single_water,6.0,19,16,1.4445474896523165,1.6396209253442051,1.6459261711249122,1.661642783127405,1.6481502359156137,1.6427357601783599,0.4050971281275458,0.32053310917342437,0.3180303952865154,0.016211128149245264,-5.007220897823572e-05,0.0004006896633654833,0.012784743681550026,0.027661268079675956,0.007877166382968426,7.879480748429479e-07,0.0,3.6392194249432186e-07
dissociation__dev_thio_amide__single_water__8A,dev_thio_amide,single_water,8.0,19,16,0.6414786101426357,0.8538681687721801,0.8652225182547953,0.8928469000098439,0.8683760969056535,0.8583971817263607,0.4077310348927435,0.318154620521875,0.3169919614358196,0.009341113369386679,-5.007177242077887e-05,0.0007352004176937044,0.012784747406840324,0.02758644380974022,0.007851745001971722,2.937001683522844e-07,0.0,6.70149621667844e-07
dissociation__dev_thio_amide__single_water__10A,dev_thio_amide,single_water,10.0,19,16,0.4622735819254781,0.6789876470719107,0.6954801527091706,0.7286940368177384,0.699071713667495,0.6845926297298686,0.40874766655056577,0.3166374725768383,0.31597859361932135,0.006171625027138715,-5.0069676944985986e-05,0.0007737042615190148,0.01278474647551775,0.027514139908610853,0.007826953195035458,2.0786613129006835e-07,0.0,9.221097752552809e-07
dissociation__dev_thio_amide__single_water__15A,dev_thio_amide,single_water,15.0,19,16,0.28311294245287383,0.5158155027718644,0.5412496687804288,0.5782931060356372,0.544971665727683,0.5228900834370117,0.4095234662275278,0.3137596920828025,0.31350735079570374,0.002891144698613923,-5.007171421311796e-05,0.0007680702256038785,0.012784742750227451,0.027340738532339464,0.007766526658087969,4.150354818936025e-07,0.0,5.590394365419422e-07
dissociation__dev_thio_amide__single_water__20A,dev_thio_amide,single_water,20.0,19,16,0.21388596103587115,0.461169974764242,0.49138149838703254,0.5282974567749842,0.49492959599437186,0.4691865912340977,0.40971104259346935,0.3112312234630661,0.31109720725004664,0.0016617068274558736,-5.007104482501745e-05,0.0007699795532971621,0.012784757651388645,0.027175950451150156,0.007707635406404734,6.327637923383262e-07,0.0,1.6312839609938096e-07
dissociation__dev_thio_amide__whole_environment__3A,dev_thio_amide,whole_environment,3.0,28,16,1.465764764371985,1.2125177920448063,1.3366414008416536,1.3506657531058546,1.323395084404684,1.2164104576763506,0.8833317739022373,0.3381686125734466,0.3165365811371513,0.050892942525264426,0.0002707660314626992,0.004547035787254572,0.025316977873444557,0.04054322326916088,0.010144748724997044,0.0,0.0,4.7491032720975435e-07
dissociation__dev_thio_amide__whole_environment__4A,dev_thio_amide,whole_environment,4.0,28,16,0.6444958805404403,0.7678254337901285,0.920354117525402,0.9232992992287558,0.9203202039139659,0.7678225956388498,0.5639766757788625,0.3508322828821931,0.33483789588098795,0.03157834523557287,6.527407094836235e-07,0.0029303026385605335,0.02535143494606018,0.03923552171912255,0.010759280994534492,0.0,0.0,8.585525324532328e-08
dissociation__dev_thio_amide__whole_environment__5A,dev_thio_amide,whole_environment,5.0,28,16,1912.6771741593388,1912.702101248774,1912.6932079948765,1912.6247280695084,1912.6721096995207,1912.6761795487541,0.5504256172438421,0.35640386814507224,0.34368967368788056,0.019600083029196677,-0.00023322971537709236,0.002515288069844246,0.025792978703975677,0.03772753859890525,0.011052602902054787,0.0,0.0,8.039327692443976e-05
dissociation__dev_thio_amide__whole_environment__6A,dev_thio_amide,whole_environment,6.0,28,16,1.7307958156094327,1.7975038480243488,1.8680381219980573,1.9153495766475526,1.8965416298229618,1.8305075747928237,0.5533554591307625,0.36213784467582044,0.35230938460881045,0.013940428279984235,-0.00030580098973587155,0.0025914113502949476,0.02600116841495037,0.03877712267204533,0.011338320560753345,0.0,0.0,9.202722481629899e-07
dissociation__dev_thio_amide__whole_environment__8A,dev_thio_amide,whole_environment,8.0,28,16,1.3291444212370156,1.4104007480192216,1.4821676983984915,1.5312204680720671,1.5126999622897437,1.4452769598670747,0.5517746357641322,0.35692332061944926,0.35100934173332365,0.007848138995044916,-0.0003058004076592624,0.0028610541485249996,0.026001188904047012,0.03894886349199311,0.011304572224617004,0.0,0.0,5.9506992736158e-07
dissociation__dev_thio_amide__whole_environment__10A,dev_thio_amide,whole_environment,10.0,28,16,1.0847737407021536,1.180660773090236,1.2550371673710392,1.3028221749138496,1.2865300279992449,1.2156762258662281,0.5510812906401737,0.35372655601855213,0.34987690650483233,0.004941970147407516,-0.0003057980793528259,0.002938471734523773,0.02600119449198246,0.03915323564784252,0.011275576427578926,0.0,0.0,5.567143269817609e-07
dissociation__dev_thio_amide__whole_environment__15A,dev_thio_amide,whole_environment,15.0,28,16,0.29407946916074784,0.5260027721671666,0.5905333701501776,0.5925981840912813,0.6133949155251319,0.5358475095270051,0.5505074035239077,0.349357392277244,0.3477252728977621,0.002087641663656281,-0.00030580273596569896,0.002981887198984623,0.026001200079917908,0.03980573077317875,0.01122238952666521,0.0,0.0,3.006944584819926e-07
dissociation__dev_thio_amide__whole_environment__20A,dev_thio_amide,whole_environment,20.0,28,16,0.31148629164961655,0.5541612145885569,0.6366258632402542,0.6406245332258004,0.6604094270533223,0.5632242482930189,0.5503614762975491,0.3473540615376122,0.34652494123336863,0.001198240998820026,-0.00030580098973587155,0.0029870672151446342,0.02600119821727276,0.04065291024451709,0.011196231469511986,0.0,0.0,5.055764782518901e-07
dissociation__stress_acetamidine__single_water__50A,stress_acetamidine,single_water,50.0,13,10,0.06111973801350519,0.38501876258986895,0.2923988663582967,0.46711765215728895,0.2903554713932401,0.25691723223822494,0.25224549515245426,0.43791358702490274,0.4379781070019373,0.0008173114042324167,0.00017032920732162893,0.00040495640132576227,0.0131545914337039,0.021439977864636223,0.00951889343559742,0.0,0.0,3.0160881160212066e-07
dissociation__stress_acetamidine__single_water__100A,stress_acetamidine,single_water,100.0,13,10,0.08076070491853277,0.5692462767961218,0.30007027315260065,0.4746916850138877,0.29321578215076616,0.26385894226366924,0.2523147883500549,0.6449462361064219,0.6449608545366411,0.00031219105600225017,0.00017032510368153453,0.0004023833607789129,0.013154584914445877,0.03742932466315865,0.013977203518152237,0.0,0.0,3.5867446323114074e-07
dissociation__stress_acetamidine__whole_environment__50A,stress_acetamidine,whole_environment,50.0,19,10,0.13479792261029303,0.6452681308872245,0.4006561440306158,0.5845106231159242,0.36158219799433594,0.33137278051822805,0.30675488208639673,0.6850317267093469,0.6852515794230531,0.003298674969100796,0.0005975677631795406,0.0006621561478823423,0.02564609795808792,0.06962795771496155,0.017731133848428726,9.052117209019245e-07,0.0,5.479258957902071e-07
dissociation__stress_acetamidine__whole_environment__100A,stress_acetamidine,whole_environment,100.0,19,10,0.15089895635146827,1.0985046600581954,0.41329015636785904,0.5958065017574391,0.3673866041044116,0.3385222018579706,0.30770511411037177,1.182382174250127,1.182448265312824,0.0015809775112418285,0.0005975645035505295,0.0006473413668572903,0.025646265596151352,0.1246562745090724,0.030671894550323486,6.925274284152322e-07,0.0,6.117748137506734e-07
dissociation__stress_dimethyl_sulfone__single_water__50A,stress_dimethyl_sulfone,single_water,50.0,14,11,0.13324436632856035,1.399708795020704,0.30992897760098737,0.20464330083478638,0.2497592557363215,0.24802585537947816,0.4214905288214266,1.408087463308722,1.4084222859615496,0.002831372033230979,-0.0013091338332742453,0.0008195066475309432,0.013875283300876617,0.1279832860615721,0.03409004583954811,0.0,0.0,1.75012151919598e-07
dissociation__stress_dimethyl_sulfone__single_water__100A,stress_dimethyl_sulfone,single_water,100.0,14,11,0.15589324736503365,2.7443480807357443,0.2993242350245642,0.20697903865590903,0.25322111189571156,0.25027642932966987,0.42602275860667926,2.7712134691342163,2.771329608979853,0.0014478718502813107,-0.001309138024225831,0.0008110245689749718,0.013875290751457214,0.251629142239779,0.06711936742067337,0.0,0.0,6.284218327258354e-07
dissociation__stress_dimethyl_sulfone__whole_environment__50A,stress_dimethyl_sulfone,whole_environment,50.0,20,11,0.30016075697368005,2.416902029761657,0.392721437080411,0.37561798371987737,0.24788794832839284,0.2295691285216575,0.6808628036917662,2.4131241146447175,2.4145866856446325,0.01322606290118402,-0.002991930115967989,0.0015395476948469877,0.020784324035048485,0.3106107172677472,0.06977281719446182,0.0,0.0,8.494807422591844e-07
dissociation__stress_dimethyl_sulfone__whole_environment__100A,stress_dimethyl_sulfone,whole_environment,100.0,20,11,0.30809921407878293,4.588741693337035,0.3967850298989461,0.38019609129502085,0.2528974368415374,0.23446395310022008,0.6928360017810751,4.597303170387027,4.597832062594165,0.006838446897536836,-0.0029919336084276438,0.0015206541866064072,0.020784342661499977,0.5931357734204229,0.13299475610256195,0.0,0.0,9.960982155754992e-07
dissociation__stress_methanesulfonamide__single_water__50A,stress_methanesulfonamide,single_water,50.0,13,10,0.04256347920609955,0.4299283289109322,0.3750492756926127,0.47944985568467585,0.36788090194971995,0.34233575996514787,0.3825263708285564,0.4336072778689754,0.4336260090617779,0.0008573730925428287,-0.00035205844324082136,0.000351005292031914,0.023982150480151176,0.0581182376657209,0.010016062296926975,0.0,0.0,6.076935015310661e-07
dissociation__stress_methanesulfonamide__single_water__100A,stress_methanesulfonamide,single_water,100.0,13,10,0.06813047226706977,0.7559766123690268,0.37022865183911075,0.4850442318093756,0.3690269637659984,0.34306877157057625,0.3828368987252873,0.8343226710235385,0.8343170981189729,0.0004291862945453668,-0.0003520603058859706,0.0003453074605204165,0.023982219398021698,0.0910001983537237,0.019177915528416634,0.0,0.0,2.8511617827971236e-07
dissociation__stress_methanesulfonamide__whole_environment__50A,stress_methanesulfonamide,whole_environment,50.0,19,10,0.08936524019134678,0.7971079148863653,0.4356264765571557,0.5496277097772327,0.37134452034588566,0.32916215477165506,0.4287496074093766,0.794703015317426,0.7947674697025842,0.004238908674769322,-0.0008628033101558685,0.0005305472295731306,0.04035913571715355,0.1351197684456492,0.02214597724378109,4.5815823660963484e-07,0.0,6.466245486107247e-08
dissociation__stress_methanesulfonamide__whole_environment__100A,stress_methanesulfonamide,whole_environment,100.0,19,10,0.10511743283883826,1.4087012128789855,0.3844940836356182,0.5720308492162083,0.3527649229297746,0.30646264151582453,0.4297668611492312,1.4690829667292924,1.4690503272731226,0.0021412333690469694,-0.0008628028444945812,0.0005096804816275835,0.04035917669534683,0.2159404420312412,0.040787968784570694,8.370003943408699e-07,0.0,3.5548778374097645e-07
dissociation__stress_methyl_sulfoxide__single_water__50A,stress_methyl_sulfoxide,single_water,50.0,13,10,0.17272496513353336,1.7553433489538262,1.0337798441920356,0.9541129756762357,1.1198123027335756,0.7970278414232523,0.9820659029988409,1.6297341180230192,1.6298092242508229,0.002606018341218874,-0.0011943813879042864,0.0007433813298121095,0.019070474430918694,0.10838558391865426,0.035271380096673965,0.0,0.0,2.2850762254611467e-07
dissociation__stress_methyl_sulfoxide__single_water__100A,stress_methyl_sulfoxide,single_water,100.0,13,10,0.1352417739765473,3.10536744429868,1.0211976620554604,0.9363066177297482,1.1031693203347668,0.7792857401024222,0.9812588768660772,2.9493837495282027,2.9493541783627477,0.0013763668062923623,-0.0011943813879042864,0.0007448553806170821,0.019070463255047798,0.21367232884593895,0.06444542109966278,0.0,0.0,3.2310715995104156e-07
dissociation__stress_methyl_sulfoxide__whole_environment__50A,stress_methyl_sulfoxide,whole_environment,50.0,19,10,0.30711793958804195,2.106955387131717,1.0332873775715643,1.0215229202379725,1.1976611918312992,0.8904879884380807,0.9638544776610816,1.8595107209410586,1.859556434955623,0.009316313586598903,-0.002171232597902417,0.0020201641600579023,0.009451244957745075,0.20523453146686702,0.04904694855213165,3.098583816829939e-07,0.0,9.740562020160715e-07
dissociation__stress_methyl_sulfoxide__whole_environment__100A,stress_methyl_sulfoxide,whole_environment,100.0,19,10,0.32208600898759104,3.8182326765727828,1.0330768508464836,1.0261861042934095,1.2041455087041526,0.8994510800045666,0.9642165692490601,3.585721606081219,3.5855341757472075,0.0050286502321082085,-0.0021712281741201878,0.002017268678173423,0.009451230056583881,0.4061281448972204,0.09508591890335083,1.095783450089094e-06,0.0,8.224654533817155e-07
dissociation__stress_nitroethane__single_water__50A,stress_nitroethane,single_water,50.0,13,10,0.036428061370900724,3.0240692993438603,0.8202477932911364,0.7393236078680208,0.7279880228747637,0.5025748225957396,0.8364239721650679,2.532010357018829,2.5318922188125645,0.004952562571172263,-0.0024937703274190426,0.00011535570956766605,0.015008694492280483,0.22745390958589198,0.058975089341402054,0.0,0.0,2.141165101124387e-07
dissociation__stress_nitroethane__single_water__100A,stress_nitroethane,single_water,100.0,13,10,0.04075208177243468,5.769103131071141,0.8143494618549122,0.7370507687247252,0.7274014209710591,0.5007748299476957,0.8425032227886271,5.309852300357813,5.309695443157997,0.002745088702452683,-0.002493772655725479,0.00011345275561325252,0.015008642338216305,0.46292884260830586,0.12426996976137161,0.0,0.0,3.51078498737889e-07
dissociation__stress_nitroethane__whole_environment__50A,stress_nitroethane,whole_environment,50.0,19,10,0.15908585873743117,4.816279578021645,1.3073490441821407,0.7778570377016278,0.8601908725186347,0.6619893106448898,1.2354011075432383,4.2033482672664455,4.20266458586572,0.02162629467339047,-0.0052029890939593315,-0.0003210721188224852,0.030075300484895706,0.5485036193705731,0.11911511421203613,7.417944331705728e-07,0.0,1.5803434580928533e-06
dissociation__stress_nitroethane__whole_environment__100A,stress_nitroethane,whole_environment,100.0,19,10,0.09727766798076412,8.71661879487183,1.2630411377754611,0.75233638422044,0.8441475293253207,0.6387889058618001,1.250969157890319,8.174814595544932,8.17410822810655,0.011804739620078428,-0.005202991887927055,-0.00032815441954880953,0.03007528930902481,1.0403366723279528,0.2319480925798416,1.589782876523782e-06,0.0,5.369378622277488e-07
dissociation__stress_pyridine_n_oxide__single_water__50A,stress_pyridine_n_oxide,single_water,50.0,15,12,0.2689701184509396,1.4415946502495396,0.4212683937277968,0.33161672744509674,0.5072586553007389,0.42706504582641325,0.4862475213849061,1.5593597175861271,1.5595257469674957,0.003133080866653254,-0.0014612224185839295,0.002060625469312072,0.010853166691958904,0.16378634492550045,0.040739841759204865,0.0,0.0,4.5238644557840657e-07
dissociation__stress_pyridine_n_oxide__single_water__100A,stress_pyridine_n_oxide,single_water,100.0,15,12,0.3066381620408238,2.8028708616269915,0.42962433434399205,0.3569536090903918,0.5315429447323106,0.4554805074696017,0.48881770477930103,2.928481787716245,2.928513451768401,0.0015563607159667743,-0.0014612177619710565,0.002063547261059284,0.01085315365344286,0.30128093675066764,0.07615069299936295,0.0,0.0,4.409104340311054e-07
dissociation__stress_pyridine_n_oxide__whole_environment__50A,stress_pyridine_n_oxide,whole_environment,50.0,21,12,0.5077729501522852,1.8757895225360344,0.5096374387612683,0.5012839668866212,0.7274891714113524,0.6943443803941013,0.6030136865878024,1.9286320232091287,1.929141055675843,0.009644424168292656,-0.0023373346775770187,0.0034894542768597603,0.019864453002810478,0.28250932898391584,0.05921299755573273,0.0,0.0,1.024167163837103e-06
dissociation__stress_pyridine_n_oxide__whole_environment__100A,stress_pyridine_n_oxide,whole_environment,100.0,21,12,0.5452163657768216,3.423690466536281,0.5222800942501475,0.5305873178666655,0.7574661760176872,0.7258126198387771,0.6073941034531801,3.503407422490129,3.5035160691633442,0.005033687491343997,-0.0023373437579721212,0.0035032322630286217,0.019864443689584732,0.503126397084126,0.10740407556295395,0.0,0.0,7.569720588199158e-07
dissociation__dev_amino_alcohol_halogen__single_water__50A,dev_amino_alcohol_halogen,single_water,50.0,17,14,0.08013537485738763,0.5125076860846274,0.36491115526420764,0.32556583180903914,0.3809993683838064,0.3253255021069701,0.36383278661626234,0.19964704689126078,0.19964217869130627,0.00032699045420786775,-0.0004295131075195968,0.00027161664911545813,0.007754075340926647,0.021512244440811887,0.004914599470794201,3.747736537339924e-07,0.0,1.8695154343877085e-07
dissociation__dev_amino_alcohol_halogen__single_water__100A,dev_amino_alcohol_halogen,single_water,100.0,17,14,0.051229768011901135,0.8736330961514894,0.3635541596544755,0.31560274100796887,0.37494125422414665,0.3187470847201193,0.36406891409770825,0.5952384851248594,0.595222620976336,0.0002751952500559009,-0.0004295135731808841,0.0002683191269170493,0.007754052057862282,0.0619469856716217,0.014497438445687294,1.3476125196223293e-06,0.0,5.362332995174912e-08
dissociation__dev_amino_alcohol_halogen__whole_environment__50A,dev_amino_alcohol_halogen,whole_environment,50.0,26,14,0.07973693523494803,1.175042634716501,0.4629781426014391,0.4786188561984966,0.4686366690168724,0.3421077668855104,0.49265034307327277,0.8299539678183535,0.8298374612238226,0.005486801519959654,-0.0016960143111646175,0.000192374485777691,0.020717525854706764,0.1468056604502205,0.024746818467974663,2.839372103321386e-07,0.0,1.3226335391497424e-07
dissociation__dev_amino_alcohol_halogen__whole_environment__100A,dev_amino_alcohol_halogen,whole_environment,100.0,26,14,0.04848611145463043,2.2096466216854482,0.47790044444684,0.4611099853527141,0.46249749764078446,0.3362411434152689,0.49618475220372615,1.88819977266372,1.887996855559205,0.003385582581993202,-0.0016960300272330642,0.00018843698489945382,0.02071760594844818,0.30713123226325345,0.05617564544081688,4.892405416337051e-07,0.0,2.824660041457483e-07
dissociation__dev_aza_aryl_ether__single_water__50A,dev_aza_aryl_ether,single_water,50.0,18,15,0.11415558336646457,0.32277947568547544,0.29576056212223345,0.37885890179298964,0.30992867367856475,0.2573313372808647,0.27826433200583717,0.37012810783874833,0.3701841329664554,0.000723170434929966,-0.0002662304905243218,0.000560689193662256,0.00778533099219203,0.04240105908654995,0.010865154676139355,2.5377805477726223e-07,0.0,2.2867173768686272e-07
dissociation__dev_aza_aryl_ether__single_water__100A,dev_aza_aryl_ether,single_water,100.0,18,15,0.09228556129569496,0.4780346837526304,0.28831235518031123,0.36901485767125325,0.30055853489004264,0.24657560713733034,0.2782851009514735,0.5661056209448506,0.5661149573694803,0.0003027222961660544,-0.0002662292681634426,0.0005590408691205084,0.007785390131175518,0.06708019081411969,0.016702987253665924,1.4385771395734187e-06,0.0,2.982834257370115e-07
dissociation__dev_aza_aryl_ether__whole_environment__50A,dev_aza_aryl_ether,whole_environment,50.0,27,15,0.2780916087489711,0.6843400758464993,0.5438587405668779,0.5794716175770143,0.6150405882245096,0.5553194480760772,0.4629100277904362,0.6847587683077319,0.6850883853309371,0.004794137786935092,-0.0008926314767450094,0.0009625246748328209,0.024864021688699722,0.10324956504850036,0.02463381551206112,4.2720278855233607e-07,0.0,8.836993051382358e-07
dissociation__dev_aza_aryl_ether__whole_environment__100A,dev_aza_aryl_ether,whole_environment,100.0,27,15,0.1858795040611387,1.040616717260141,0.5023571651765049,0.512662288569616,0.5599560600848588,0.49556672308825706,0.4629602554542837,1.1312456247884148,1.1313053084474936,0.00226706521109991,-0.0008926309528760612,0.0009523638291284442,0.02486398071050644,0.1871465586330183,0.0407794751226902,5.073622320883597e-07,0.0,2.0144188049402156e-06
dissociation__dev_cyano_ether__single_water__50A,dev_cyano_ether,single_water,50.0,13,10,0.03762708867962323,0.6671269800952051,0.48729730156667306,0.38507884769060363,0.4763672231614591,0.32829321981363185,0.4984787188306409,0.6179263528788811,0.6178974215962568,0.0010422188641786,-0.0004460875643417239,0.0003972364356741309,0.01833205670118332,0.053352790471378246,0.015917155891656876,0.0,0.0,1.6518601753372913e-07
dissociation__dev_cyano_ether__single_water__100A,dev_cyano_ether,single_water,100.0,13,10,0.06245707835623526,1.078572175836028,0.48286634492175534,0.3879404427966041,0.4757879504866553,0.32644174225425676,0.49899762863232866,0.9779632355112857,0.9779425542398315,0.000532523486528657,-0.00044609367614611983,0.0003933425759896636,0.01833207719027996,0.09370751556334403,0.02602875977754593,0.0,0.0,8.69170605714148e-08
dissociation__dev_cyano_ether__whole_environment__50A,dev_cyano_ether,whole_environment,50.0,22,10,0.07399586341277306,3.4173786550048626,0.9826499868944348,0.411718585804804,0.5655768918162039,0.44040235831734775,0.970377154333918,3.2461605891536918,3.2460253782765776,0.02320909646115794,-0.004477377515286207,-0.0003193476586602628,0.02036808244884014,0.5378430737248381,0.11132092028856277,0.0,0.0,3.1955515772570664e-07
dissociation__dev_cyano_ether__whole_environment__100A,dev_cyano_ether,whole_environment,100.0,22,10,0.07640987193885579,6.029110706053977,1.0008929263598196,0.411340165990339,0.5663615473298801,0.4417502918349561,0.98362862027391,5.892919445771197,5.892513103676689,0.012181117472757888,-0.004477380309253931,-0.0003254187176935375,0.020368173718452454,0.9607446168537372,0.20140422880649567,0.0,0.0,5.253794829740421e-07
dissociation__dev_cyclic_carbamate__single_water__50A,dev_cyclic_carbamate,single_water,50.0,20,17,0.15091030858035567,0.25695029798569347,0.2910923366074615,0.2995434019156262,0.28897254992069654,0.2714411299037072,0.26521013390603254,0.3234714006307554,0.32350349272054235,0.0004407332955197756,3.734724668902345e-05,0.0007575292256660759,0.02164173685014248,0.02423904125277423,0.007651260122656822,0.0,0.0,2.901515182090163e-07
dissociation__dev_cyclic_carbamate__single_water__100A,dev_cyclic_carbamate,single_water,100.0,20,17,0.12582442746549444,0.23378900111777562,0.28104485564193316,0.2860158443398961,0.27925011542794076,0.2628824865459414,0.26519145928640825,0.2996177596141794,0.2996221064272407,0.0001023792572267645,3.73485017917119e-05,0.0007558813667856157,0.021641742438077927,0.022586231227840724,0.006984671577811241,0.0,0.0,1.0841439730549865e-06
dissociation__dev_cyclic_carbamate__whole_environment__50A,dev_cyclic_carbamate,whole_environment,50.0,29,17,0.3017982353839273,0.926297437751363,0.6275170646773157,0.6491888293549352,0.5014352062962103,0.42382723001326533,0.4240378861099726,0.49741437277176265,0.4976533017420242,0.0027281079479234455,0.0012230714783072472,0.001812437898479402,0.02430078387260437,0.09721371305719607,0.014540600590407848,0.0,0.0,1.3080534144987305e-06
dissociation__dev_cyclic_carbamate__whole_environment__100A,dev_cyclic_carbamate,whole_environment,100.0,29,17,0.28789662696606494,1.5563365872011625,0.6209416697192327,0.6438902891027679,0.4926640392789144,0.41356637483771047,0.4271276270946236,1.2077115557922562,1.2078265862992843,0.0019319159254432775,0.0012230766005814075,0.0018052683444693685,0.02430075593292713,0.2114225339686505,0.035870734602212906,0.0,0.0,3.687576947356691e-07
dissociation__dev_hydroxy_nitrile__single_water__50A,dev_hydroxy_nitrile,single_water,50.0,16,13,0.08704962661318716,0.7215830528942817,0.2875901945568673,0.5034910861728961,0.30099903348642104,0.30708550279484514,0.30524860471650944,0.5977823001495094,0.5978227801690594,0.000982619477621091,-0.0006365751032717526,0.00010956442565657198,0.007786900736391544,0.04445220114736511,0.012834669090807438,0.0,0.0,1.8178097568877227e-07
dissociation__dev_hydroxy_nitrile__single_water__100A,dev_hydroxy_nitrile,single_water,100.0,16,13,0.040675017522021,1.3975663997274217,0.2947527337601095,0.4948344008880389,0.29218451108947424,0.2971082470246835,0.3064128335780396,1.2992638186425447,1.2992700348418937,0.0005582888178030411,-0.000636579527053982,0.00010538235073909163,0.007786876056343317,0.10454426971693973,0.027866531163454056,0.0,0.0,1.311867925488791e-07
dissociation__dev_hydroxy_nitrile__whole_environment__50A,dev_hydroxy_nitrile,whole_environment,50.0,25,13,0.2010635435121474,0.5749991292901391,0.3699151881986679,0.8102946304458154,0.408068186632819,0.4453076318108478,0.38304329259619724,0.37912975146896777,0.3791549367374817,0.002159767112641061,-0.0007594919879920781,0.0005987524054944515,0.015072383917868137,0.040508266774546046,0.010356273502111435,7.705934433306985e-07,0.0,7.741006178619593e-08
dissociation__dev_hydroxy_nitrile__whole_environment__100A,dev_hydroxy_nitrile,whole_environment,100.0,25,13,0.12264126543466859,1.0399037259480488,0.36422606187621565,0.7662725706791805,0.3795052721006107,0.41638380795755625,0.3848844566002711,0.9075647954125533,0.9075662315297313,0.0014602202613491111,-0.0007594878552481532,0.0005768788396380842,0.015072190202772617,0.1087941466654694,0.02442341111600399,2.6970619682910313e-07,0.0,2.0388503038648587e-07
dissociation__dev_oxazolidinone__single_water__50A,dev_oxazolidinone,single_water,50.0,17,14,0.1477984681251452,0.3545957887013232,0.22908749786256632,0.22532128351756833,0.2236716484173806,0.3057646017151405,0.20659466093855844,0.2703362472004958,0.2703227834218095,0.00026113964229873614,8.720677578821778e-05,0.0011263146298006177,0.020272310823202133,0.006042293303708064,0.005633598659187555,3.8560064055627105e-07,0.0,7.393087953899008e-08
dissociation__dev_oxazolidinone__single_water__100A,dev_oxazolidinone,single_water,100.0,17,14,0.1708439933504273,0.41913607029223,0.24229714481082415,0.23978743676719266,0.23567078678745362,0.3138161504363738,0.20655133818308555,0.33153927138954514,0.3315334584522652,0.00010696063239223495,8.720708137843758e-05,0.0011279877508059144,0.020272286608815193,0.008855898352522784,0.007057254668325186,2.0235218698132912e-07,0.0,6.786396882819956e-07
dissociation__dev_oxazolidinone__whole_environment__50A,dev_oxazolidinone,whole_environment,50.0,26,14,0.3153898459469329,1.2816650697151377,0.5982293788574139,0.5748339597251102,0.4016397275035353,0.4338264958556891,0.34187762100341085,1.2104015718996517,1.2101589201310996,0.007213551268309146,0.0016374391270801425,0.0024536247365176678,0.02397674135863781,0.1519819031517419,0.03361765295267105,2.1961387916547004e-07,0.0,4.1944921711292715e-08
dissociation__dev_oxazolidinone__whole_environment__100A,dev_oxazolidinone,whole_environment,100.0,26,14,0.3781581702824614,2.3136884827768025,0.6633976214131682,0.6416088639050989,0.45074599921550257,0.48006756194310585,0.3473793144140545,2.2821464841637313,2.281922643497122,0.003787926817975204,0.0016374427359551191,0.002453374909237027,0.023976704105734825,0.30463005583738134,0.06353725492954254,9.584216966070092e-07,0.0,9.431210153121317e-08
dissociation__dev_sulfonyl_amine__single_water__50A,dev_sulfonyl_amine,single_water,50.0,19,16,0.17661245730338082,0.5733829627338858,0.29758201470551865,0.29814352000443617,0.3215030233501505,0.3007040248502579,0.29057048026101295,0.41758630503997024,0.41758020318231087,0.0006032816560728365,-0.0004050264833495021,0.0007939385250210762,0.01645503006875515,0.038561847840392155,0.009672414511442184,3.638975390549831e-07,0.0,1.8622257902389805e-07
dissociation__dev_sulfonyl_amine__single_water__100A,dev_sulfonyl_amine,single_water,100.0,19,16,0.13719180142298176,0.9403510147676858,0.28685288232462014,0.2847641199268714,0.3047032382231381,0.2843468570578473,0.2910726740983719,0.7914610539871917,0.7914453098669898,0.0003190709587785586,-0.0004050227580592036,0.0007933370070531964,0.016455085948109627,0.07679709457276067,0.01798398233950138,3.20060824197943e-07,0.0,5.80440092691481e-08
dissociation__dev_sulfonyl_amine__whole_environment__50A,dev_sulfonyl_amine,whole_environment,50.0,28,16,0.3729544825246894,1.0307829840003575,0.3399992624754429,0.5307902965413676,0.4470710613025574,0.3947319536831135,0.3751423743678776,0.8326973137470802,0.8326024489953305,0.004626758555000608,-0.001218982506543398,0.0019870903342962265,0.008109662681818008,0.11808023733105938,0.02265426702797413,0.0,0.0,8.849250665576847e-06
dissociation__dev_sulfonyl_amine__whole_environment__100A,dev_sulfonyl_amine,whole_environment,100.0,28,16,0.3193580955382915,1.822697679393503,0.3149172760861491,0.4892451062963757,0.407548605825064,0.3542110907172216,0.3785635755119092,1.6407823587206272,1.6406411567617496,0.002519148527902592,-0.0012189658591523767,0.001972939819097519,0.008109748363494873,0.23232218436655933,0.04433239623904228,0.0,0.0,6.741847631379361e-07
dissociation__dev_thio_amide__single_water__50A,dev_thio_amide,single_water,50.0,19,16,0.12860709273097404,0.40442128997664756,0.4435009731585254,0.4785105732295313,0.4465496250490018,0.41711036354429143,0.409821517848799,0.2976688377550648,0.2976492756097808,0.00024714492943799437,-5.007121944800019e-05,0.0007722546579316258,0.01278476882725954,0.02635029552948041,0.007379977963864803,3.0668699294001366e-07,0.0,8.479932858337924e-08
dissociation__dev_thio_amide__single_water__100A,dev_thio_amide,single_water,100.0,19,16,0.11547203118265735,0.39375579922310716,0.4376068794902438,0.47254689457492605,0.44057923020884987,0.4111106599392525,0.40981449313812585,0.27931912487571053,0.279315017710319,4.4025765388359835e-05,-5.00695314258337e-05,0.0007713292725384235,0.012784778140485287,0.02562595278555938,0.006937392987310886,2.320780639251908e-06,0.0,3.068870063128483e-07
dissociation__dev_thio_amide__whole_environment__50A,dev_thio_amide,whole_environment,50.0,28,16,0.3803459480963448,0.6342584481912021,0.6986141091238023,0.7147426225083995,0.7261113522214706,0.6204923644082739,0.5502478669085404,0.35909661751097705,0.3590707903106779,0.0006646363221027005,-0.00030580052407458425,0.0029756990261375904,0.02600117400288582,0.04916622958113783,0.01159789226949215,0.0,0.0,3.6655023981368995e-07
dissociation__dev_thio_amide__whole_environment__100A,dev_thio_amide,whole_environment,100.0,28,16,0.40370981636871256,0.7317305014700328,0.7134126825967225,0.734883304326955,0.7424736746642306,0.6382867549179827,0.5502094377763685,0.4427343265847057,0.44276488738512165,0.00047539709510098505,-0.00030580192105844617,0.0029666395857930183,0.026001133024692535,0.07091313256891728,0.01405910775065422,0.0,0.0,6.256501675246107e-07