Datasets:
Modalities:
Image
Size:
n<1K
Tags:
chemistry
ionic-liquids
thermodynamics
activity-coefficients
molecular-property-prediction
cosmo-rs
DOI:
License:
COSMOBridge: dataset, frozen predictions, DFT outputs, checkpoints and analysis scripts
a5ae347 verified | il_id,smiles,cation_smiles,anion_smiles,temperature,x1,gamma1,gamma2,G_E,H_E,G_mix,H_vap,P,il_short_name,il_idx,inv_temperature,temp_squared,temp_cubed,cation_idx,anion_idx,cosmo_image_path,ep_image_path,structure_image_path,surface_area,volume,sphericity,aspect_ratio,curv_mean,curv_std,curv_skew,gcurv_mean,gcurv_std,gcurv_skew,esp_mean,esp_std,esp_min,esp_max,esp_skew,esp_kurtosis,esp_pos_frac,esp_neg_frac,esp_charge_segregation,esp_range | |
| IL‑19 (EMIMMeSO₄),CCn1cc[n+](C)c1.COS(=O)(=O)[O-],CCn1cc[n+](C)c1,COS(=O)(=O)[O-],-1.5266422901328514,0.0,-0.14757635238939906,-0.6180895290369998,0.05135605066369708,0.12401343404299996,0.2097462502566263,0.7722182894428985,-0.5634924087891747,EMIMMeSO4,18,1.7368599964357934,-1.4225895831927096,-1.3222554639195692,4,2,Image/COSMO files/EMIM MSO4 PNG.png,Image/Electrostatic Potential/EMIMMSO4_EP.png,Image/Electrostatic Potential/EMIMMSO4.png,0.018931457197296154,-0.09940837872610482,-0.48063528219739543,1.1504984580801674,-0.7354847876340339,0.041786971363479135,-1.4047950754815404,0.8001481426960798,4.9997456405338285,4.934752081804277,0.09893528306667171,-0.4599484190617234,-0.01478680470895627,-0.13724303425630138,-0.19697600294549772,0.2826529762689173,-1.4897974773130336,1.4897974773130336,1.3251340810972836,-0.03789431465869335 | |
| IL‑19 (EMIMMeSO₄),CCn1cc[n+](C)c1.COS(=O)(=O)[O-],CCn1cc[n+](C)c1,COS(=O)(=O)[O-],-1.0929591937002072,0.0,-0.07059014843319808,-0.523850929643944,0.145328320951933,0.17780553165422633,0.26058845292398525,0.5739902488715158,-0.5627299761180626,EMIMMeSO4,18,1.0970447772307612,-1.0748610792088351,-1.0481295719110162,4,2,Image/COSMO files/EMIM MSO4 PNG.png,Image/Electrostatic Potential/EMIMMSO4_EP.png,Image/Electrostatic Potential/EMIMMSO4.png,0.018931457197296154,-0.09940837872610482,-0.48063528219739543,1.1504984580801674,-0.7354847876340339,0.041786971363479135,-1.4047950754815404,0.8001481426960798,4.9997456405338285,4.934752081804277,0.09893528306667171,-0.4599484190617234,-0.01478680470895627,-0.13724303425630138,-0.19697600294549772,0.2826529762689173,-1.4897974773130336,1.4897974773130336,1.3251340810972836,-0.03789431465869335 | |
| IL‑19 (EMIMMeSO₄),CCn1cc[n+](C)c1.COS(=O)(=O)[O-],CCn1cc[n+](C)c1,COS(=O)(=O)[O-],-0.6592760972675633,0.0,-0.008726234539822596,-0.42248916939320275,0.2241599021255159,0.23801258284331608,0.2959700217984916,0.33463745037285847,-0.5566824987949237,EMIMMeSO4,18,0.5491174252101387,-0.6991486299502242,-0.7281317323433719,4,2,Image/COSMO files/EMIM MSO4 PNG.png,Image/Electrostatic Potential/EMIMMSO4_EP.png,Image/Electrostatic Potential/EMIMMSO4.png,0.018931457197296154,-0.09940837872610482,-0.48063528219739543,1.1504984580801674,-0.7354847876340339,0.041786971363479135,-1.4047950754815404,0.8001481426960798,4.9997456405338285,4.934752081804277,0.09893528306667171,-0.4599484190617234,-0.01478680470895627,-0.13724303425630138,-0.19697600294549772,0.2826529762689173,-1.4897974773130336,1.4897974773130336,1.3251340810972836,-0.03789431465869335 | |
| IL‑19 (EMIMMeSO₄),CCn1cc[n+](C)c1.COS(=O)(=O)[O-],CCn1cc[n+](C)c1,COS(=O)(=O)[O-],-0.22559300083491934,0.0,0.0411153239738383,-0.3227812924680392,0.28764567053852325,0.30196013174544567,0.31570783600611824,0.06827673345098163,-0.525362111225945,EMIMMeSO4,18,0.07460925475465223,-0.295452235416877,-0.35871313293448487,4,2,Image/COSMO files/EMIM MSO4 PNG.png,Image/Electrostatic Potential/EMIMMSO4_EP.png,Image/Electrostatic Potential/EMIMMSO4.png,0.018931457197296154,-0.09940837872610482,-0.48063528219739543,1.1504984580801674,-0.7354847876340339,0.041786971363479135,-1.4047950754815404,0.8001481426960798,4.9997456405338285,4.934752081804277,0.09893528306667171,-0.4599484190617234,-0.01478680470895627,-0.13724303425630138,-0.19697600294549772,0.2826529762689173,-1.4897974773130336,1.4897974773130336,1.3251340810972836,-0.03789431465869335 | |
| IL‑19 (EMIMMeSO₄),CCn1cc[n+](C)c1.COS(=O)(=O)[O-],CCn1cc[n+](C)c1,COS(=O)(=O)[O-],0.20809009559772462,0.0,0.08122578317790936,-0.23185045972613844,0.33636253644511205,0.36586653517273193,0.3203643382313768,-0.20553268539315186,-0.4113957549099431,EMIMMeSO4,18,-0.34030979470931144,0.13622810439120664,0.06367503859779652,4,2,Image/COSMO files/EMIM MSO4 PNG.png,Image/Electrostatic Potential/EMIMMSO4_EP.png,Image/Electrostatic Potential/EMIMMSO4.png,0.018931457197296154,-0.09940837872610482,-0.48063528219739543,1.1504984580801674,-0.7354847876340339,0.041786971363479135,-1.4047950754815404,0.8001481426960798,4.9997456405338285,4.934752081804277,0.09893528306667171,-0.4599484190617234,-0.01478680470895627,-0.13724303425630138,-0.19697600294549772,0.2826529762689173,-1.4897974773130336,1.4897974773130336,1.3251340810972836,-0.03789431465869335 | |
| IL‑19 (EMIMMeSO₄),CCn1cc[n+](C)c1.COS(=O)(=O)[O-],CCn1cc[n+](C)c1,COS(=O)(=O)[O-],0.6417731920303686,0.0,0.11338423602095825,-0.15383956702266008,0.3716694439995188,0.4258678589876045,0.3113390951543306,-0.4680533395546872,-0.09891099185313607,EMIMMeSO4,18,-0.7062014248817764,0.5958923894740267,0.5425815945356236,4,2,Image/COSMO files/EMIM MSO4 PNG.png,Image/Electrostatic Potential/EMIMMSO4_EP.png,Image/Electrostatic Potential/EMIMMSO4.png,0.018931457197296154,-0.09940837872610482,-0.48063528219739543,1.1504984580801674,-0.7354847876340339,0.041786971363479135,-1.4047950754815404,0.8001481426960798,4.9997456405338285,4.934752081804277,0.09893528306667171,-0.4599484190617234,-0.01478680470895627,-0.13724303425630138,-0.19697600294549772,0.2826529762689173,-1.4897974773130336,1.4897974773130336,1.3251340810972836,-0.03789431465869335 | |
| IL‑19 (EMIMMeSO₄),CCn1cc[n+](C)c1.COS(=O)(=O)[O-],CCn1cc[n+](C)c1,COS(=O)(=O)[O-],1.0754562884630126,0.0,0.13896543614506002,-0.08984574488051202,0.3954381464707861,0.4791288059235791,0.2905548759522639,-0.7060960451402148,0.587001163903686,EMIMMeSO4,18,-1.0312706038467803,1.0835406198315831,1.0815553471611485,4,2,Image/COSMO files/EMIM MSO4 PNG.png,Image/Electrostatic Potential/EMIMMSO4_EP.png,Image/Electrostatic Potential/EMIMMSO4.png,0.018931457197296154,-0.09940837872610482,-0.48063528219739543,1.1504984580801674,-0.7354847876340339,0.041786971363479135,-1.4047950754815404,0.8001481426960798,4.9997456405338285,4.934752081804277,0.09893528306667171,-0.4599484190617234,-0.01478680470895627,-0.13724303425630138,-0.19697600294549772,0.2826529762689173,-1.4897974773130336,1.4897974773130336,1.3251340810972836,-0.03789431465869335 | |
| IL‑19 (EMIMMeSO₄),CCn1cc[n+](C)c1.COS(=O)(=O)[O-],CCn1cc[n+](C)c1,COS(=O)(=O)[O-],1.5091393848956565,0.0,0.15920935742345882,-0.03887011327137517,0.4097711612296194,0.5243402017810921,0.26014373080134817,-0.9133417611825124,1.8560356889392204,EMIMMeSO4,18,-1.321988184062445,1.599172795463876,1.6841451087565225,4,2,Image/COSMO files/EMIM MSO4 PNG.png,Image/Electrostatic Potential/EMIMMSO4_EP.png,Image/Electrostatic Potential/EMIMMSO4.png,0.018931457197296154,-0.09940837872610482,-0.48063528219739543,1.1504984580801674,-0.7354847876340339,0.041786971363479135,-1.4047950754815404,0.8001481426960798,4.9997456405338285,4.934752081804277,0.09893528306667171,-0.4599484190617234,-0.01478680470895627,-0.13724303425630138,-0.19697600294549772,0.2826529762689173,-1.4897974773130336,1.4897974773130336,1.3251340810972836,-0.03789431465869335 | |
| IL‑21 (EOAOAc),C[N+](C)(C)CCOCCO.CC(=O)[O-],C[N+](C)(C)CCOCCO,CC(=O)[O-],-1.5266422901328514,0.0,-1.0095738419242002,-0.3248445528544032,0.1637253479456053,-0.1833694465214775,0.32439299745997113,0.7858389410621898,-0.563405768712912,EOAOAc,20,1.7368599964357934,-1.4225895831927096,-1.3222554639195692,6,0,Image/COSMO files/EOA.png,Image/Electrostatic Potential/EOAOAC_EP.png,Image/Electrostatic Potential/EOAOAC.png,0.925964088138493,0.8622986514806893,-0.7908427050179113,0.9540552953782059,0.6919809230588331,-0.010696836568132206,-0.3101761273741128,-0.11371565998344293,0.7171106080107083,1.3674256293304135,0.17554821973608453,-0.33050216774753755,0.9074135011460127,-1.7586823849349424,0.6430664283763189,-0.7890254037684266,0.03882888570614496,-0.03882888570614496,1.8397616809694128,-1.5364651769246742 | |
| IL‑21 (EOAOAc),C[N+](C)(C)CCOCCO.CC(=O)[O-],C[N+](C)(C)CCOCCO,CC(=O)[O-],-1.0929591937002072,0.0,-0.719689515122735,-0.09888479038267832,0.3479007415282515,-0.07218689249908042,0.4672534393259075,0.5517323978668591,-0.5615776631037683,EOAOAc,20,1.0970447772307612,-1.0748610792088351,-1.0481295719110162,6,0,Image/COSMO files/EOA.png,Image/Electrostatic Potential/EOAOAC_EP.png,Image/Electrostatic Potential/EOAOAC.png,0.925964088138493,0.8622986514806893,-0.7908427050179113,0.9540552953782059,0.6919809230588331,-0.010696836568132206,-0.3101761273741128,-0.11371565998344293,0.7171106080107083,1.3674256293304135,0.17554821973608453,-0.33050216774753755,0.9074135011460127,-1.7586823849349424,0.6430664283763189,-0.7890254037684266,0.03882888570614496,-0.03882888570614496,1.8397616809694128,-1.5364651769246742 | |
| IL‑21 (EOAOAc),C[N+](C)(C)CCOCCO.CC(=O)[O-],C[N+](C)(C)CCOCCO,CC(=O)[O-],-0.6592760972675633,0.0,-0.4441996676324084,0.12211332211231406,0.4993973742698727,0.06223163331672041,0.5767858821189262,-0.03866254240864439,-0.5473946826195585,EOAOAc,20,0.5491174252101387,-0.6991486299502242,-0.7281317323433719,6,0,Image/COSMO files/EOA.png,Image/Electrostatic Potential/EOAOAC_EP.png,Image/Electrostatic Potential/EOAOAC.png,0.925964088138493,0.8622986514806893,-0.7908427050179113,0.9540552953782059,0.6919809230588331,-0.010696836568132206,-0.3101761273741128,-0.11371565998344293,0.7171106080107083,1.3674256293304135,0.17554821973608453,-0.33050216774753755,0.9074135011460127,-1.7586823849349424,0.6430664283763189,-0.7890254037684266,0.03882888570614496,-0.03882888570614496,1.8397616809694128,-1.5364651769246742 | |
| IL‑21 (EOAOAc),C[N+](C)(C)CCOCCO.CC(=O)[O-],C[N+](C)(C)CCOCCO,CC(=O)[O-],-0.22559300083491934,0.0,-0.20434559102096728,0.30785588213237175,0.6159717062931918,0.2096371671921956,0.6506751547888288,-0.34745811017092565,-0.4774588130602787,EOAOAc,20,0.07460925475465223,-0.295452235416877,-0.35871313293448487,6,0,Image/COSMO files/EOA.png,Image/Electrostatic Potential/EOAOAC_EP.png,Image/Electrostatic Potential/EOAOAC.png,0.925964088138493,0.8622986514806893,-0.7908427050179113,0.9540552953782059,0.6919809230588331,-0.010696836568132206,-0.3101761273741128,-0.11371565998344293,0.7171106080107083,1.3674256293304135,0.17554821973608453,-0.33050216774753755,0.9074135011460127,-1.7586823849349424,0.6430664283763189,-0.7890254037684266,0.03882888570614496,-0.03882888570614496,1.8397616809694128,-1.5364651769246742 | |
| IL‑21 (EOAOAc),C[N+](C)(C)CCOCCO.CC(=O)[O-],C[N+](C)(C)CCOCCO,CC(=O)[O-],0.20809009559772462,0.0,-0.01336265858760485,0.44191868199873974,0.6984826928655091,0.35611879813255,0.6898237816433195,-0.5589008304558847,-0.23868742688780675,EOAOAc,20,-0.34030979470931144,0.13622810439120664,0.06367503859779652,6,0,Image/COSMO files/EOA.png,Image/Electrostatic Potential/EOAOAC_EP.png,Image/Electrostatic Potential/EOAOAC.png,0.925964088138493,0.8622986514806893,-0.7908427050179113,0.9540552953782059,0.6919809230588331,-0.010696836568132206,-0.3101761273741128,-0.11371565998344293,0.7171106080107083,1.3674256293304135,0.17554821973608453,-0.33050216774753755,0.9074135011460127,-1.7586823849349424,0.6430664283763189,-0.7890254037684266,0.03882888570614496,-0.03882888570614496,1.8397616809694128,-1.5364651769246742 | |
| IL‑21 (EOAOAc),C[N+](C)(C)CCOCCO.CC(=O)[O-],C[N+](C)(C)CCOCCO,CC(=O)[O-],0.6417731920303686,0.0,0.12599962238352902,0.5237940941560427,0.7507764023478712,0.48807981695088354,0.6981296212866879,-0.763032134004095,0.36989846080452404,EOAOAc,20,-0.7062014248817764,0.5958923894740267,0.5425815945356236,6,0,Image/COSMO files/EOA.png,Image/Electrostatic Potential/EOAOAC_EP.png,Image/Electrostatic Potential/EOAOAC.png,0.925964088138493,0.8622986514806893,-0.7908427050179113,0.9540552953782059,0.6919809230588331,-0.010696836568132206,-0.3101761273741128,-0.11371565998344293,0.7171106080107083,1.3674256293304135,0.17554821973608453,-0.33050216774753755,0.9074135011460127,-1.7586823849349424,0.6430664283763189,-0.7890254037684266,0.03882888570614496,-0.03882888570614496,1.8397616809694128,-1.5364651769246742 | |
| IL‑21 (EOAOAc),C[N+](C)(C)CCOCCO.CC(=O)[O-],C[N+](C)(C)CCOCCO,CC(=O)[O-],1.0754562884630126,0.0,0.21969851767475956,0.5635364192171975,0.7785834765982372,0.5961390553828924,0.6814656217502291,-0.9495732828549082,1.6089208634226475,EOAOAc,20,-1.0312706038467803,1.0835406198315831,1.0815553471611485,6,0,Image/COSMO files/EOA.png,Image/Electrostatic Potential/EOAOAC_EP.png,Image/Electrostatic Potential/EOAOAC.png,0.925964088138493,0.8622986514806893,-0.7908427050179113,0.9540552953782059,0.6919809230588331,-0.010696836568132206,-0.3101761273741128,-0.11371565998344293,0.7171106080107083,1.3674256293304135,0.17554821973608453,-0.33050216774753755,0.9074135011460127,-1.7586823849349424,0.6430664283763189,-0.7890254037684266,0.03882888570614496,-0.03882888570614496,1.8397616809694128,-1.5364651769246742 | |
| IL‑21 (EOAOAc),C[N+](C)(C)CCOCCO.CC(=O)[O-],C[N+](C)(C)CCOCCO,CC(=O)[O-],1.5091393848956565,0.0,0.27835467306996026,0.574425849034119,0.7882627486402044,0.6772741912764403,0.6462933338746109,-1.1134623760969644,3.7424933894458854,EOAOAc,20,-1.321988184062445,1.599172795463876,1.6841451087565225,6,0,Image/COSMO files/EOA.png,Image/Electrostatic Potential/EOAOAC_EP.png,Image/Electrostatic Potential/EOAOAC.png,0.925964088138493,0.8622986514806893,-0.7908427050179113,0.9540552953782059,0.6919809230588331,-0.010696836568132206,-0.3101761273741128,-0.11371565998344293,0.7171106080107083,1.3674256293304135,0.17554821973608453,-0.33050216774753755,0.9074135011460127,-1.7586823849349424,0.6430664283763189,-0.7890254037684266,0.03882888570614496,-0.03882888570614496,1.8397616809694128,-1.5364651769246742 | |
| IL‑25 (TEACl),CC[NH+](CC)CC.[Cl-],CC[NH+](CC)CC,[Cl-],-1.5266422901328514,0.0,-0.9722128900042792,0.809244531101264,0.6260484053991336,0.14528938503477076,0.796086208828713,0.18559673055191855,-0.5630852004307398,TEACl,24,1.7368599964357934,-1.4225895831927096,-1.3222554639195692,3,6,,Image/Electrostatic Potential/TEACL_EP.png,Image/Electrostatic Potential/TEACl.png,-1.156829802677029,-1.0981356386930514,0.9603282302592007,-0.9826491102164067,-0.6165153235637635,-0.20677074911514465,-0.32656972418432056,0.32329844535632435,-0.1813457097161887,-0.2601511093724402,-1.7558033493075045,1.6899928703066698,-1.460747363107742,1.5976925470872618,1.2312247069609978,-1.0293408998541795,-0.4272677380065029,0.4272677380065029,-0.09811695191541465,2.0055155100296567 | |
| IL‑25 (TEACl),CC[NH+](CC)CC.[Cl-],CC[NH+](CC)CC,[Cl-],-1.0929591937002072,0.0,-0.46883740937469415,0.7856316622350978,0.7447637154767686,0.32722719379703,0.8721598519245091,0.03806222533769088,-0.5591690689836643,TEACl,24,1.0970447772307612,-1.0748610792088351,-1.0481295719110162,3,6,,Image/Electrostatic Potential/TEACL_EP.png,Image/Electrostatic Potential/TEACl.png,-1.156829802677029,-1.0981356386930514,0.9603282302592007,-0.9826491102164067,-0.6165153235637635,-0.20677074911514465,-0.32656972418432056,0.32329844535632435,-0.1813457097161887,-0.2601511093724402,-1.7558033493075045,1.6899928703066698,-1.460747363107742,1.5976925470872618,1.2312247069609978,-1.0293408998541795,-0.4272677380065029,0.4272677380065029,-0.09811695191541465,2.0055155100296567 | |
| IL‑25 (TEACl),CC[NH+](CC)CC.[Cl-],CC[NH+](CC)CC,[Cl-],-0.6592760972675633,0.0,-0.02702932714705653,0.7048042553534082,0.8119929904278611,0.5297265184878696,0.8957170443618423,-0.1433326902735226,-0.5374657298798491,TEACl,24,0.5491174252101387,-0.6991486299502242,-0.7281317323433719,3,6,,Image/Electrostatic Potential/TEACL_EP.png,Image/Electrostatic Potential/TEACl.png,-1.156829802677029,-1.0981356386930514,0.9603282302592007,-0.9826491102164067,-0.6165153235637635,-0.20677074911514465,-0.32656972418432056,0.32329844535632435,-0.1813457097161887,-0.2601511093724402,-1.7558033493075045,1.6899928703066698,-1.460747363107742,1.5976925470872618,1.2312247069609978,-1.0293408998541795,-0.4272677380065029,0.4272677380065029,-0.09811695191541465,2.0055155100296567 | |
| IL‑25 (TEACl),CC[NH+](CC)CC.[Cl-],CC[NH+](CC)CC,[Cl-],-0.22559300083491934,0.0,0.2654697271697277,0.5977275913340874,0.8298259273952466,0.7222387142848925,0.8688767562544533,-0.34745811017092565,-0.4554435696819177,TEACl,24,0.07460925475465223,-0.295452235416877,-0.35871313293448487,3,6,,Image/Electrostatic Potential/TEACL_EP.png,Image/Electrostatic Potential/TEACl.png,-1.156829802677029,-1.0981356386930514,0.9603282302592007,-0.9826491102164067,-0.6165153235637635,-0.20677074911514465,-0.32656972418432056,0.32329844535632435,-0.1813457097161887,-0.2601511093724402,-1.7558033493075045,1.6899928703066698,-1.460747363107742,1.5976925470872618,1.2312247069609978,-1.0293408998541795,-0.4272677380065029,0.4272677380065029,-0.09811695191541465,2.0055155100296567 | |
| IL‑25 (TEACl),CC[NH+](CC)CC.[Cl-],CC[NH+](CC)CC,[Cl-],0.20809009559772462,0.0,0.3983895351907454,0.4867045324487845,0.8077238545470996,0.8716603764276962,0.801278993613622,-0.5589008304558847,-0.22720761678299436,TEACl,24,-0.34030979470931144,0.13622810439120664,0.06367503859779652,3,6,,Image/Electrostatic Potential/TEACL_EP.png,Image/Electrostatic Potential/TEACl.png,-1.156829802677029,-1.0981356386930514,0.9603282302592007,-0.9826491102164067,-0.6165153235637635,-0.20677074911514465,-0.32656972418432056,0.32329844535632435,-0.1813457097161887,-0.2601511093724402,-1.7558033493075045,1.6899928703066698,-1.460747363107742,1.5976925470872618,1.2312247069609978,-1.0293408998541795,-0.4272677380065029,0.4272677380065029,-0.09811695191541465,2.0055155100296567 | |
| IL‑25 (TEACl),CC[NH+](CC)CC.[Cl-],CC[NH+](CC)CC,[Cl-],0.6417731920303686,0.0,0.4223533780888767,0.3847532692305108,0.6994826706393812,0.9886855878778615,0.7072595048631778,-0.763032134004095,0.2737019841300091,TEACl,24,-0.7062014248817764,0.5958923894740267,0.5425815945356236,3,6,,Image/Electrostatic Potential/TEACL_EP.png,Image/Electrostatic Potential/TEACl.png,-1.156829802677029,-1.0981356386930514,0.9603282302592007,-0.9826491102164067,-0.6165153235637635,-0.20677074911514465,-0.32656972418432056,0.32329844535632435,-0.1813457097161887,-0.2601511093724402,-1.7558033493075045,1.6899928703066698,-1.460747363107742,1.5976925470872618,1.2312247069609978,-1.0293408998541795,-0.4272677380065029,0.4272677380065029,-0.09811695191541465,2.0055155100296567 | |
| IL‑25 (TEACl),CC[NH+](CC)CC.[Cl-],CC[NH+](CC)CC,[Cl-],1.0754562884630126,0.0,0.39569393981412765,0.29829283399239864,0.6367917563543235,0.9886855878778615,0.4917523962582367,-0.9495732828549082,1.1940621862537926,TEACl,24,-1.0312706038467803,1.0835406198315831,1.0815553471611485,3,6,,Image/Electrostatic Potential/TEACL_EP.png,Image/Electrostatic Potential/TEACl.png,-1.156829802677029,-1.0981356386930514,0.9603282302592007,-0.9826491102164067,-0.6165153235637635,-0.20677074911514465,-0.32656972418432056,0.32329844535632435,-0.1813457097161887,-0.2601511093724402,-1.7558033493075045,1.6899928703066698,-1.460747363107742,1.5976925470872618,1.2312247069609978,-1.0293408998541795,-0.4272677380065029,0.4272677380065029,-0.09811695191541465,2.0055155100296567 | |
| IL‑25 (TEACl),CC[NH+](CC)CC.[Cl-],CC[NH+](CC)CC,[Cl-],1.5091393848956565,0.0,0.3552330532110964,0.22912448580190917,0.668278236003424,0.8875013842424201,0.4917523962582367,-1.1134623760969644,2.680390022556267,TEACl,24,-1.321988184062445,1.599172795463876,1.6841451087565225,3,6,,Image/Electrostatic Potential/TEACL_EP.png,Image/Electrostatic Potential/TEACl.png,-1.156829802677029,-1.0981356386930514,0.9603282302592007,-0.9826491102164067,-0.6165153235637635,-0.20677074911514465,-0.32656972418432056,0.32329844535632435,-0.1813457097161887,-0.2601511093724402,-1.7558033493075045,1.6899928703066698,-1.460747363107742,1.5976925470872618,1.2312247069609978,-1.0293408998541795,-0.4272677380065029,0.4272677380065029,-0.09811695191541465,2.0055155100296567 | |
| IL‑28 (TEALOAc),CC[NH+](CC)CC.CC(=O)[O-],CC[NH+](CC)CC,CC(=O)[O-],-1.5266422901328514,0.0,-1.5037842982732854,-0.8249231952287785,-2.6632502794743944,-2.0455350874835334,-2.559878489027464,0.18559673055191855,-0.5635530568425586,TEALOAc,27,1.7368599964357934,-1.4225895831927096,-1.3222554639195692,3,0,,Image/Electrostatic Potential/TEAOAC_EP.png,Image/Electrostatic Potential/TEAOAC.png,-0.14834909660475154,-0.23675203779480336,-0.26549142443478047,-0.502380026382185,0.8898856823376298,3.672218651046613,2.9900731350582723,0.17651508173075392,-0.030889562252393737,-0.23216931390908996,0.2735116340985705,-0.5536816013212238,0.9074293057785037,1.5925033876547507,0.26347255167631006,-0.4382377809203623,0.6313226793159666,-0.6313226793159666,0.5003287075398488,-0.2652701611892563 | |
| IL‑28 (TEALOAc),CC[NH+](CC)CC.CC(=O)[O-],CC[NH+](CC)CC,CC(=O)[O-],-1.0929591937002072,0.0,-1.3315357537074157,-0.8226961840181001,-2.186978814098138,-1.8880264692851374,-2.1190019047449837,0.03806222533769088,-0.5635443928349324,TEALOAc,27,1.0970447772307612,-1.0748610792088351,-1.0481295719110162,3,0,,Image/Electrostatic Potential/TEAOAC_EP.png,Image/Electrostatic Potential/TEAOAC.png,-0.14834909660475154,-0.23675203779480336,-0.26549142443478047,-0.502380026382185,0.8898856823376298,3.672218651046613,2.9900731350582723,0.17651508173075392,-0.030889562252393737,-0.23216931390908996,0.2735116340985705,-0.5536816013212238,0.9074293057785037,1.5925033876547507,0.26347255167631006,-0.4382377809203623,0.6313226793159666,-0.6313226793159666,0.5003287075398488,-0.2652701611892563 | |
| IL‑28 (TEALOAc),CC[NH+](CC)CC.CC(=O)[O-],CC[NH+](CC)CC,CC(=O)[O-],-0.6592760972675633,0.0,-1.1571576887940183,-0.815196396264491,-1.7582319334365455,-1.6871991470720267,-1.7266000318299415,-0.1433326902735226,-0.5633797766900331,TEALOAc,27,0.5491174252101387,-0.6991486299502242,-0.7281317323433719,3,0,,Image/Electrostatic Potential/TEAOAC_EP.png,Image/Electrostatic Potential/TEAOAC.png,-0.14834909660475154,-0.23675203779480336,-0.26549142443478047,-0.502380026382185,0.8898856823376298,3.672218651046613,2.9900731350582723,0.17651508173075392,-0.030889562252393737,-0.23216931390908996,0.2735116340985705,-0.5536816013212238,0.9074293057785037,1.5925033876547507,0.26347255167631006,-0.4382377809203623,0.6313226793159666,-0.6313226793159666,0.5003287075398488,-0.2652701611892563 | |
| IL‑28 (TEALOAc),CC[NH+](CC)CC.CC(=O)[O-],CC[NH+](CC)CC,CC(=O)[O-],-0.22559300083491934,0.0,-0.9869308407606117,-0.7966270527872147,-1.3833428300574742,-1.4518881764424016,-1.3891475011854357,-0.34745811017092565,-0.5613610629131114,TEALOAc,27,0.07460925475465223,-0.295452235416877,-0.35871313293448487,3,0,,Image/Electrostatic Potential/TEAOAC_EP.png,Image/Electrostatic Potential/TEAOAC.png,-0.14834909660475154,-0.23675203779480336,-0.26549142443478047,-0.502380026382185,0.8898856823376298,3.672218651046613,2.9900731350582723,0.17651508173075392,-0.030889562252393737,-0.23216931390908996,0.2735116340985705,-0.5536816013212238,0.9074293057785037,1.5925033876547507,0.26347255167631006,-0.4382377809203623,0.6313226793159666,-0.6313226793159666,0.5003287075398488,-0.2652701611892563 | |
| IL‑28 (TEALOAc),CC[NH+](CC)CC.CC(=O)[O-],CC[NH+](CC)CC,CC(=O)[O-],0.20809009559772462,0.0,-0.8254107657936804,-0.7612241245703969,-1.0650806731808777,-1.1966104290205695,-1.109482686358885,-0.5589008304558847,-0.547091442352639,TEALOAc,27,-0.34030979470931144,0.13622810439120664,0.06367503859779652,3,0,,Image/Electrostatic Potential/TEAOAC_EP.png,Image/Electrostatic Potential/TEAOAC.png,-0.14834909660475154,-0.23675203779480336,-0.26549142443478047,-0.502380026382185,0.8898856823376298,3.672218651046613,2.9900731350582723,0.17651508173075392,-0.030889562252393737,-0.23216931390908996,0.2735116340985705,-0.5536816013212238,0.9074293057785037,1.5925033876547507,0.26347255167631006,-0.4382377809203623,0.6313226793159666,-0.6313226793159666,0.5003287075398488,-0.2652701611892563 | |
| IL‑28 (TEALOAc),CC[NH+](CC)CC.CC(=O)[O-],CC[NH+](CC)CC,CC(=O)[O-],0.6417731920303686,0.0,-0.6761017378828271,-0.7070226017222623,-0.8024326648050129,-0.9381382965518016,-0.8865591823558493,-0.763032134004095,-0.4816175367208899,TEALOAc,27,-0.7062014248817764,0.5958923894740267,0.5425815945356236,3,0,,Image/Electrostatic Potential/TEAOAC_EP.png,Image/Electrostatic Potential/TEAOAC.png,-0.14834909660475154,-0.23675203779480336,-0.26549142443478047,-0.502380026382185,0.8898856823376298,3.672218651046613,2.9900731350582723,0.17651508173075392,-0.030889562252393737,-0.23216931390908996,0.2735116340985705,-0.5536816013212238,0.9074293057785037,1.5925033876547507,0.26347255167631006,-0.4382377809203623,0.6313226793159666,-0.6313226793159666,0.5003287075398488,-0.2652701611892563 | |
| IL‑28 (TEALOAc),CC[NH+](CC)CC.CC(=O)[O-],CC[NH+](CC)CC,CC(=O)[O-],1.0754562884630126,0.0,-0.5416723964509036,-0.637510376800712,-0.5911681297327293,-0.6918788891161087,-0.5915122141110293,-0.9495732828549082,-0.2695746140754719,TEALOAc,27,-1.0312706038467803,1.0835406198315831,1.0815553471611485,3,0,,Image/Electrostatic Potential/TEAOAC_EP.png,Image/Electrostatic Potential/TEAOAC.png,-0.14834909660475154,-0.23675203779480336,-0.26549142443478047,-0.502380026382185,0.8898856823376298,3.672218651046613,2.9900731350582723,0.17651508173075392,-0.030889562252393737,-0.23216931390908996,0.2735116340985705,-0.5536816013212238,0.9074293057785037,1.5925033876547507,0.26347255167631006,-0.4382377809203623,0.6313226793159666,-0.6313226793159666,0.5003287075398488,-0.2652701611892563 | |
| IL‑28 (TEALOAc),CC[NH+](CC)CC.CC(=O)[O-],CC[NH+](CC)CC,CC(=O)[O-],1.5091393848956565,0.0,-0.4236322749088155,-0.5597942355809999,-0.4249538753961701,-0.46911728831373223,-0.5915122141110293,-1.1134623760969644,0.25363614246755967,TEALOAc,27,-1.321988184062445,1.599172795463876,1.6841451087565225,3,0,,Image/Electrostatic Potential/TEAOAC_EP.png,Image/Electrostatic Potential/TEAOAC.png,-0.14834909660475154,-0.23675203779480336,-0.26549142443478047,-0.502380026382185,0.8898856823376298,3.672218651046613,2.9900731350582723,0.17651508173075392,-0.030889562252393737,-0.23216931390908996,0.2735116340985705,-0.5536816013212238,0.9074293057785037,1.5925033876547507,0.26347255167631006,-0.4382377809203623,0.6313226793159666,-0.6313226793159666,0.5003287075398488,-0.2652701611892563 | |