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‑7 (BMIMOAc),CCCCn1cc[n+](C)c1.CC(=O)[O-],CCCCn1cc[n+](C)c1,CC(=O)[O-],-1.5266422901328514,0.0,-1.745282688064463,-0.8252506968774079,-3.2176482134913758,-2.7123274313031596,-3.1255127087720673,3.078797682796691,-0.5635530568425586,BMIMOAc,6,1.7368599964357934,-1.4225895831927096,-1.3222554639195692,2,0,Image/COSMO files/BMIM OAc.png,Image/Electrostatic Potential/BMIMOAc_EP.png,Image/Electrostatic Potential/BMIMOAc .png,1.7203355896192667,1.724811143324078,-1.0610233636035262,0.3159931150708091,1.1311398089478488,-0.09722382503636423,-0.5958381055728011,-2.1969405105837887,0.10023172658403694,-0.28251880168261667,0.8490161054012508,-0.8713480789884743,0.9074135011460127,-0.1489918234329871,-1.2169987360729102,0.7657117139522869,1.6019772639619836,-1.601977263961984,-0.9580800525928267,-0.9258613470152194 | |
| IL‑7 (BMIMOAc),CCCCn1cc[n+](C)c1.CC(=O)[O-],CCCCn1cc[n+](C)c1,CC(=O)[O-],-1.0929591937002072,0.0,-1.5418461049911272,-0.8240716909423427,-2.605469512463606,-2.4850547902588573,-2.5459743826638412,2.77095526646522,-0.5635530568425586,BMIMOAc,6,1.0970447772307612,-1.0748610792088351,-1.0481295719110162,2,0,Image/COSMO files/BMIM OAc.png,Image/Electrostatic Potential/BMIMOAc_EP.png,Image/Electrostatic Potential/BMIMOAc .png,1.7203355896192667,1.724811143324078,-1.0610233636035262,0.3159931150708091,1.1311398089478488,-0.09722382503636423,-0.5958381055728011,-2.1969405105837887,0.10023172658403694,-0.28251880168261667,0.8490161054012508,-0.8713480789884743,0.9074135011460127,-0.1489918234329871,-1.2169987360729102,0.7657117139522869,1.6019772639619836,-1.601977263961984,-0.9580800525928267,-0.9258613470152194 | |
| IL‑7 (BMIMOAc),CCCCn1cc[n+](C)c1.CC(=O)[O-],CCCCn1cc[n+](C)c1,CC(=O)[O-],-0.6592760972675633,0.0,-1.3132865730077141,-0.8192410416250617,-2.061904670996906,-2.195693627675806,-2.0364274706212284,2.373495042251312,-0.5634490887510434,BMIMOAc,6,0.5491174252101387,-0.6991486299502242,-0.7281317323433719,2,0,Image/COSMO files/BMIM OAc.png,Image/Electrostatic Potential/BMIMOAc_EP.png,Image/Electrostatic Potential/BMIMOAc .png,1.7203355896192667,1.724811143324078,-1.0610233636035262,0.3159931150708091,1.1311398089478488,-0.09722382503636423,-0.5958381055728011,-2.1969405105837887,0.10023172658403694,-0.28251880168261667,0.8490161054012508,-0.8713480789884743,0.9074135011460127,-0.1489918234329871,-1.2169987360729102,0.7657117139522869,1.6019772639619836,-1.601977263961984,-0.9580800525928267,-0.9258613470152194 | |
| IL‑7 (BMIMOAc),CCCCn1cc[n+](C)c1.CC(=O)[O-],CCCCn1cc[n+](C)c1,CC(=O)[O-],-0.22559300083491934,0.0,-1.084700085070535,-0.8052075959813001,-1.5953893990298373,-1.8622955855171361,-1.6055048138483596,1.9061252791430556,-0.562010863485082,BMIMOAc,6,0.07460925475465223,-0.295452235416877,-0.35871313293448487,2,0,Image/COSMO files/BMIM OAc.png,Image/Electrostatic Potential/BMIMOAc_EP.png,Image/Electrostatic Potential/BMIMOAc .png,1.7203355896192667,1.724811143324078,-1.0610233636035262,0.3159931150708091,1.1311398089478488,-0.09722382503636423,-0.5958381055728011,-2.1969405105837887,0.10023172658403694,-0.28251880168261667,0.8490161054012508,-0.8713480789884743,0.9074135011460127,-0.1489918234329871,-1.2169987360729102,0.7657117139522869,1.6019772639619836,-1.601977263961984,-0.9580800525928267,-0.9258613470152194 | |
| IL‑7 (BMIMOAc),CCCCn1cc[n+](C)c1.CC(=O)[O-],CCCCn1cc[n+](C)c1,CC(=O)[O-],0.20809009559772462,0.0,-0.8745784254631869,-0.7750446941425497,-1.207987753249495,-1.5114593430202745,-1.2552992223341144,1.4036968020900247,-0.5506263574641586,BMIMOAc,6,-0.34030979470931144,0.13622810439120664,0.06367503859779652,2,0,Image/COSMO files/BMIM OAc.png,Image/Electrostatic Potential/BMIMOAc_EP.png,Image/Electrostatic Potential/BMIMOAc .png,1.7203355896192667,1.724811143324078,-1.0610233636035262,0.3159931150708091,1.1311398089478488,-0.09722382503636423,-0.5958381055728011,-2.1969405105837887,0.10023172658403694,-0.28251880168261667,0.8490161054012508,-0.8713480789884743,0.9074135011460127,-0.1489918234329871,-1.2169987360729102,0.7657117139522869,1.6019772639619836,-1.601977263961984,-0.9580800525928267,-0.9258613470152194 | |
| IL‑7 (BMIMOAc),CCCCn1cc[n+](C)c1.CC(=O)[O-],CCCCn1cc[n+](C)c1,CC(=O)[O-],0.6417731920303686,0.0,-0.6914935874833141,-0.7247240658306712,-0.8956100809652991,-1.169899534851752,-0.9816119960383031,0.9054555231949765,-0.4938684435044407,BMIMOAc,6,-0.7062014248817764,0.5958923894740267,0.5425815945356236,2,0,Image/COSMO files/BMIM OAc.png,Image/Electrostatic Potential/BMIMOAc_EP.png,Image/Electrostatic Potential/BMIMOAc .png,1.7203355896192667,1.724811143324078,-1.0610233636035262,0.3159931150708091,1.1311398089478488,-0.09722382503636423,-0.5958381055728011,-2.1969405105837887,0.10023172658403694,-0.28251880168261667,0.8490161054012508,-0.8713480789884743,0.9074135011460127,-0.1489918234329871,-1.2169987360729102,0.7657117139522869,1.6019772639619836,-1.601977263961984,-0.9580800525928267,-0.9258613470152194 | |
| IL‑7 (BMIMOAc),CCCCn1cc[n+](C)c1.CC(=O)[O-],CCCCn1cc[n+](C)c1,CC(=O)[O-],1.0754562884630126,0.0,-0.5367664128654597,-0.6563744717617546,-0.6497565710993375,-0.8578372916482615,-0.7758233738192244,0.44380662988851455,-0.29908422405055946,BMIMOAc,6,-1.0312706038467803,1.0835406198315831,1.0815553471611485,2,0,Image/COSMO files/BMIM OAc.png,Image/Electrostatic Potential/BMIMOAc_EP.png,Image/Electrostatic Potential/BMIMOAc .png,1.7203355896192667,1.724811143324078,-1.0610233636035262,0.3159931150708091,1.1311398089478488,-0.09722382503636423,-0.5958381055728011,-2.1969405105837887,0.10023172658403694,-0.28251880168261667,0.8490161054012508,-0.8713480789884743,0.9074135011460127,-0.1489918234329871,-1.2169987360729102,0.7657117139522869,1.6019772639619836,-1.601977263961984,-0.9580800525928267,-0.9258613470152194 | |
| IL‑7 (BMIMOAc),CCCCn1cc[n+](C)c1.CC(=O)[O-],CCCCn1cc[n+](C)c1,CC(=O)[O-],1.5091393848956565,0.0,-0.40821346935456254,-0.5770535724637594,-0.4599018165702126,-0.5864379990832277,-0.6271684642965759,0.03792101771831139,0.2005517677413818,BMIMOAc,6,-1.321988184062445,1.599172795463876,1.6841451087565225,2,0,Image/COSMO files/BMIM OAc.png,Image/Electrostatic Potential/BMIMOAc_EP.png,Image/Electrostatic Potential/BMIMOAc .png,1.7203355896192667,1.724811143324078,-1.0610233636035262,0.3159931150708091,1.1311398089478488,-0.09722382503636423,-0.5958381055728011,-2.1969405105837887,0.10023172658403694,-0.28251880168261667,0.8490161054012508,-0.8713480789884743,0.9074135011460127,-0.1489918234329871,-1.2169987360729102,0.7657117139522869,1.6019772639619836,-1.601977263961984,-0.9580800525928267,-0.9258613470152194 | |
| IL‑8 (ChCl),C[N+](C)(C)CCO.[Cl-],C[N+](C)(C)CCO,[Cl-],-1.5266422901328514,0.0,0.8447801295586331,0.662949544658595,0.9564384978408971,0.8516038276903763,1.1331724977251647,0.10251761993351666,-0.5631285204688713,ChCl,7,1.7368599964357934,-1.4225895831927096,-1.3222554639195692,5,6,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHCL_EP.png,Image/Electrostatic Potential/CHCL.png,-1.6947778527477642,-1.5113495343706278,1.9109638808381988,-1.6744852957116798,-1.6171177578817526,-0.2958753122675843,-0.314078803424112,1.6967433143608286,-0.1629653018512823,-0.25336276248720585,-1.7941607977704184,1.78830371960675,-1.4607631677402333,-1.759760133432464,1.3484906735450486,-1.1087100811498234,-0.668102917512323,0.668102917512323,-0.29734407226195136,0.7319483156511892 | |
| IL‑8 (ChCl),C[N+](C)(C)CCO.[Cl-],C[N+](C)(C)CCO,[Cl-],-1.0929591937002072,0.0,0.7706243007478804,0.56333991822802,0.9171060387352616,0.9051789764342464,1.0479951311777396,-0.08807736432364303,-0.5597755495175034,ChCl,7,1.0970447772307612,-1.0748610792088351,-1.0481295719110162,5,6,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHCL_EP.png,Image/Electrostatic Potential/CHCL.png,-1.6947778527477642,-1.5113495343706278,1.9109638808381988,-1.6744852957116798,-1.6171177578817526,-0.2958753122675843,-0.314078803424112,1.6967433143608286,-0.1629653018512823,-0.25336276248720585,-1.7941607977704184,1.78830371960675,-1.4607631677402333,-1.759760133432464,1.3484906735450486,-1.1087100811498234,-0.668102917512323,0.668102917512323,-0.29734407226195136,0.7319483156511892 | |
| IL‑8 (ChCl),C[N+](C)(C)CCO.[Cl-],C[N+](C)(C)CCO,[Cl-],-0.6592760972675633,0.0,0.6866565047662403,0.4523823596724431,0.7986214927592895,0.9973074351064184,0.837039884298613,-0.5427894333280979,-0.5417630776624808,ChCl,7,0.5491174252101387,-0.6991486299502242,-0.7281317323433719,5,6,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHCL_EP.png,Image/Electrostatic Potential/CHCL.png,-1.6947778527477642,-1.5113495343706278,1.9109638808381988,-1.6744852957116798,-1.6171177578817526,-0.2958753122675843,-0.314078803424112,1.6967433143608286,-0.1629653018512823,-0.25336276248720585,-1.7941607977704184,1.78830371960675,-1.4607631677402333,-1.759760133432464,1.3484906735450486,-1.1087100811498234,-0.668102917512323,0.668102917512323,-0.29734407226195136,0.7319483156511892 | |
| IL‑8 (ChCl),C[N+](C)(C)CCO.[Cl-],C[N+](C)(C)CCO,[Cl-],-0.22559300083491934,0.0,0.5972166501700654,0.3429476837829918,0.7986214927592895,0.9973074351064184,0.837039884298613,-0.5427894333280979,-0.47479896271901273,ChCl,7,0.07460925475465223,-0.295452235416877,-0.35871313293448487,5,6,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHCL_EP.png,Image/Electrostatic Potential/CHCL.png,-1.6947778527477642,-1.5113495343706278,1.9109638808381988,-1.6744852957116798,-1.6171177578817526,-0.2958753122675843,-0.314078803424112,1.6967433143608286,-0.1629653018512823,-0.25336276248720585,-1.7941607977704184,1.78830371960675,-1.4607631677402333,-1.759760133432464,1.3484906735450486,-1.1087100811498234,-0.668102917512323,0.668102917512323,-0.29734407226195136,0.7319483156511892 | |
| IL‑8 (ChCl),C[N+](C)(C)CCO.[Cl-],C[N+](C)(C)CCO,[Cl-],0.20809009559772462,0.0,0.5091245932621996,0.24461531378207074,0.7263410480273559,1.0181233048794853,0.7182467573047991,-0.768176406026759,-0.2892592394023653,ChCl,7,-0.34030979470931144,0.13622810439120664,0.06367503859779652,5,6,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHCL_EP.png,Image/Electrostatic Potential/CHCL.png,-1.6947778527477642,-1.5113495343706278,1.9109638808381988,-1.6744852957116798,-1.6171177578817526,-0.2958753122675843,-0.314078803424112,1.6967433143608286,-0.1629653018512823,-0.25336276248720585,-1.7941607977704184,1.78830371960675,-1.4607631677402333,-1.759760133432464,1.3484906735450486,-1.1087100811498234,-0.668102917512323,0.668102917512323,-0.29734407226195136,0.7319483156511892 | |
| IL‑8 (ChCl),C[N+](C)(C)CCO.[Cl-],C[N+](C)(C)CCO,[Cl-],0.6417731920303686,0.0,0.4297662653745754,0.16278902687206218,0.6520862882034183,1.0150411347639405,0.597439300696688,-0.9687853639582312,0.12013244895431098,ChCl,7,-0.7062014248817764,0.5958923894740267,0.5425815945356236,5,6,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHCL_EP.png,Image/Electrostatic Potential/CHCL.png,-1.6947778527477642,-1.5113495343706278,1.9109638808381988,-1.6744852957116798,-1.6171177578817526,-0.2958753122675843,-0.314078803424112,1.6967433143608286,-0.1629653018512823,-0.25336276248720585,-1.7941607977704184,1.78830371960675,-1.4607631677402333,-1.759760133432464,1.3484906735450486,-1.1087100811498234,-0.668102917512323,0.668102917512323,-0.29734407226195136,0.7319483156511892 | |
| IL‑8 (ChCl),C[N+](C)(C)CCO.[Cl-],C[N+](C)(C)CCO,[Cl-],1.0754562884630126,0.0,0.36388591437003925,0.09882795489477707,0.5806006975994342,0.9915657711169021,0.4794571375735653,-1.1369401040357026,0.882097263654562,ChCl,7,-1.0312706038467803,1.0835406198315831,1.0815553471611485,5,6,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHCL_EP.png,Image/Electrostatic Potential/CHCL.png,-1.6947778527477642,-1.5113495343706278,1.9109638808381988,-1.6744852957116798,-1.6171177578817526,-0.2958753122675843,-0.314078803424112,1.6967433143608286,-0.1629653018512823,-0.25336276248720585,-1.7941607977704184,1.78830371960675,-1.4607631677402333,-1.759760133432464,1.3484906735450486,-1.1087100811498234,-0.668102917512323,0.668102917512323,-0.29734407226195136,0.7319483156511892 | |
| IL‑8 (ChCl),C[N+](C)(C)CCO.[Cl-],C[N+](C)(C)CCO,[Cl-],1.5091393848956565,0.0,0.3124269986304077,0.05138934109083561,0.5149098499927601,0.9554624871906414,0.36740024273145966,-1.2727916399632324,2.133656485307903,ChCl,7,-1.321988184062445,1.599172795463876,1.6841451087565225,5,6,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHCL_EP.png,Image/Electrostatic Potential/CHCL.png,-1.6947778527477642,-1.5113495343706278,1.9109638808381988,-1.6744852957116798,-1.6171177578817526,-0.2958753122675843,-0.314078803424112,1.6967433143608286,-0.1629653018512823,-0.25336276248720585,-1.7941607977704184,1.78830371960675,-1.4607631677402333,-1.759760133432464,1.3484906735450486,-1.1087100811498234,-0.668102917512323,0.668102917512323,-0.29734407226195136,0.7319483156511892 | |
| IL‑11 (ChLys),C[N+](C)(C)CCO.NCCCC(N)C(=O)[O-],C[N+](C)(C)CCO,NCCCC(N)C(=O)[O-],-1.5266422901328514,0.0,-1.4007316870251916,-0.8238260647058708,-2.1811840711008283,-1.772018673212919,-2.06804198151575,2.404013538989656,-0.5635530568425586,ChLys,10,1.7368599964357934,-1.4225895831927096,-1.3222554639195692,5,3,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHLYS_EP.png,Image/Electrostatic Potential/CHLYS.png,1.028451227846623,1.4325591920175842,0.8252379009663933,-1.0068474125509514,1.7564114190526148,0.14680942924125792,-0.2957092337566954,-0.6380540926138234,-0.24136041674951686,-0.24768157261420062,1.3594597370862147,-1.2696596075551536,0.9180974327099877,-1.4503531758847368,-3.1360267696390887,3.200114896768295,2.7490118135717525,-2.7490118135717525,-2.313563292751076,-1.4297423739304733 | |
| IL‑11 (ChLys),C[N+](C)(C)CCO.NCCCC(N)C(=O)[O-],C[N+](C)(C)CCO,NCCCC(N)C(=O)[O-],-1.0929591937002072,0.0,-1.1857040438323994,-0.8186024134102348,-1.7419117833578384,-1.622488536636437,-1.664914457407697,2.124279283782401,-0.5635357288273061,ChLys,10,1.0970447772307612,-1.0748610792088351,-1.0481295719110162,5,3,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHLYS_EP.png,Image/Electrostatic Potential/CHLYS.png,1.028451227846623,1.4325591920175842,0.8252379009663933,-1.0068474125509514,1.7564114190526148,0.14680942924125792,-0.2957092337566954,-0.6380540926138234,-0.24136041674951686,-0.24768157261420062,1.3594597370862147,-1.2696596075551536,0.9180974327099877,-1.4503531758847368,-3.1360267696390887,3.200114896768295,2.7490118135717525,-2.7490118135717525,-2.313563292751076,-1.4297423739304733 | |
| IL‑11 (ChLys),C[N+](C)(C)CCO.NCCCC(N)C(=O)[O-],C[N+](C)(C)CCO,NCCCC(N)C(=O)[O-],-0.6592760972675633,0.0,-0.9677921135866262,-0.8039467146340776,-1.3485230911621335,-1.425540110551749,-1.3085873966759771,1.7691460434774273,-0.5631891685222552,ChLys,10,0.5491174252101387,-0.6991486299502242,-0.7281317323433719,5,3,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHLYS_EP.png,Image/Electrostatic Potential/CHLYS.png,1.028451227846623,1.4325591920175842,0.8252379009663933,-1.0068474125509514,1.7564114190526148,0.14680942924125792,-0.2957092337566954,-0.6380540926138234,-0.24136041674951686,-0.24768157261420062,1.3594597370862147,-1.2696596075551536,0.9180974327099877,-1.4503531758847368,-3.1360267696390887,3.200114896768295,2.7490118135717525,-2.7490118135717525,-2.313563292751076,-1.4297423739304733 | |
| IL‑11 (ChLys),C[N+](C)(C)CCO.NCCCC(N)C(=O)[O-],C[N+](C)(C)CCO,NCCCC(N)C(=O)[O-],-0.22559300083491934,0.0,-0.7610399482000503,-0.7727849327670081,-1.0086460300964553,-1.189312717982429,-1.0068695965916012,1.3558705658930426,-0.5595502853192204,ChLys,10,0.07460925475465223,-0.295452235416877,-0.35871313293448487,5,3,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHLYS_EP.png,Image/Electrostatic Potential/CHLYS.png,1.028451227846623,1.4325591920175842,0.8252379009663933,-1.0068474125509514,1.7564114190526148,0.14680942924125792,-0.2957092337566954,-0.6380540926138234,-0.24136041674951686,-0.24768157261420062,1.3594597370862147,-1.2696596075551536,0.9180974327099877,-1.4503531758847368,-3.1360267696390887,3.200114896768295,2.7490118135717525,-2.7490118135717525,-2.313563292751076,-1.4297423739304733 | |
| IL‑11 (ChLys),C[N+](C)(C)CCO.NCCCC(N)C(=O)[O-],C[N+](C)(C)CCO,NCCCC(N)C(=O)[O-],0.20809009559772462,0.0,-0.5758255898726498,-0.7207121706349634,-0.7259087246480578,-0.9311921922986864,-0.7634365546975398,0.9149027051748361,-0.536703297208737,ChLys,10,-0.34030979470931144,0.13622810439120664,0.06367503859779652,5,3,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHLYS_EP.png,Image/Electrostatic Potential/CHLYS.png,1.028451227846623,1.4325591920175842,0.8252379009663933,-1.0068474125509514,1.7564114190526148,0.14680942924125792,-0.2957092337566954,-0.6380540926138234,-0.24136041674951686,-0.24768157261420062,1.3594597370862147,-1.2696596075551536,0.9180974327099877,-1.4503531758847368,-3.1360267696390887,3.200114896768295,2.7490118135717525,-2.7490118135717525,-2.313563292751076,-1.4297423739304733 | |
| IL‑11 (ChLys),C[N+](C)(C)CCO.NCCCC(N)C(=O)[O-],C[N+](C)(C)CCO,NCCCC(N)C(=O)[O-],0.6417731920303686,0.0,-0.41770196508025664,-0.6496443128824244,-0.4991573543086272,-0.6728210532681704,-0.5771372254999081,0.48055395161503206,-0.44191038976967845,ChLys,10,-0.7062014248817764,0.5958923894740267,0.5425815945356236,5,3,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHLYS_EP.png,Image/Electrostatic Potential/CHLYS.png,1.028451227846623,1.4325591920175842,0.8252379009663933,-1.0068474125509514,1.7564114190526148,0.14680942924125792,-0.2957092337566954,-0.6380540926138234,-0.24136041674951686,-0.24768157261420062,1.3594597370862147,-1.2696596075551536,0.9180974327099877,-1.4503531758847368,-3.1360267696390887,3.200114896768295,2.7490118135717525,-2.7490118135717525,-2.313563292751076,-1.4297423739304733 | |
| IL‑11 (ChLys),C[N+](C)(C)CCO.NCCCC(N)C(=O)[O-],C[N+](C)(C)CCO,NCCCC(N)C(=O)[O-],1.0754562884630126,0.0,-0.28780122388105084,-0.5671630226751573,-0.32317408633501005,-0.43326461773424507,-0.44262186346463156,0.0808402891418639,-0.15955904523705075,ChLys,10,-1.0312706038467803,1.0835406198315831,1.0815553471611485,5,3,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHLYS_EP.png,Image/Electrostatic Potential/CHLYS.png,1.028451227846623,1.4325591920175842,0.8252379009663933,-1.0068474125509514,1.7564114190526148,0.14680942924125792,-0.2957092337566954,-0.6380540926138234,-0.24136041674951686,-0.24768157261420062,1.3594597370862147,-1.2696596075551536,0.9180974327099877,-1.4503531758847368,-3.1360267696390887,3.200114896768295,2.7490118135717525,-2.7490118135717525,-2.313563292751076,-1.4297423739304733 | |
| IL‑11 (ChLys),C[N+](C)(C)CCO.NCCCC(N)C(=O)[O-],C[N+](C)(C)CCO,NCCCC(N)C(=O)[O-],1.5091393848956565,0.0,-0.18404775783503635,-0.4825365966693689,-0.19025396377724327,-0.22439522543809878,-0.35205551119583983,-0.2682955497733623,0.4913071996714948,ChLys,10,-1.321988184062445,1.599172795463876,1.6841451087565225,5,3,Image/COSMO files/Cholinium.png,Image/Electrostatic Potential/CHLYS_EP.png,Image/Electrostatic Potential/CHLYS.png,1.028451227846623,1.4325591920175842,0.8252379009663933,-1.0068474125509514,1.7564114190526148,0.14680942924125792,-0.2957092337566954,-0.6380540926138234,-0.24136041674951686,-0.24768157261420062,1.3594597370862147,-1.2696596075551536,0.9180974327099877,-1.4503531758847368,-3.1360267696390887,3.200114896768295,2.7490118135717525,-2.7490118135717525,-2.313563292751076,-1.4297423739304733 | |
| IL‑15 (EMIMBr),CCn1cc[n+](C)c1.[Br-],CCn1cc[n+](C)c1,[Br-],-1.5266422901328514,0.0,3.5135543321789653,3.215644769816557,1.5812451233207692,1.1237961057705745,1.7706424203380817,-0.023565094436678456,-0.5624007438282642,EMIMBr,14,1.7368599964357934,-1.4225895831927096,-1.3222554639195692,4,5,Image/COSMO files/EMIM BR.png,Image/Electrostatic Potential/EMIMBr_EP.png,Image/Electrostatic Potential/EMIMBr.png,-1.169037706069502,-1.313492202245181,-0.06535760326025339,0.49983299530686237,-0.968346006726069,1.2240574106922961,1.3165179495307846,1.2475626735333805,-0.2243104554019763,-0.248003890382739,-2.0644880256006206,1.9244711487186135,-1.4607368266860814,-0.14405546920359819,1.6192334869220355,-1.189056121614543,-1.330742057418969,1.3307420574189683,0.31078270045823225,1.3448031916772394 | |
| IL‑15 (EMIMBr),CCn1cc[n+](C)c1.[Br-],CCn1cc[n+](C)c1,[Br-],-1.0929591937002072,0.0,2.7669283247634007,2.6096848444403573,1.5076185546624694,1.2366207382889964,1.6504889668514957,-0.24328807262468222,-0.5542132566214357,EMIMBr,14,1.0970447772307612,-1.0748610792088351,-1.0481295719110162,4,5,Image/COSMO files/EMIM BR.png,Image/Electrostatic Potential/EMIMBr_EP.png,Image/Electrostatic Potential/EMIMBr.png,-1.169037706069502,-1.313492202245181,-0.06535760326025339,0.49983299530686237,-0.968346006726069,1.2240574106922961,1.3165179495307846,1.2475626735333805,-0.2243104554019763,-0.248003890382739,-2.0644880256006206,1.9244711487186135,-1.4607368266860814,-0.14405546920359819,1.6192334869220355,-1.189056121614543,-1.330742057418969,1.3307420574189683,0.31078270045823225,1.3448031916772394 | |
| IL‑15 (EMIMBr),CCn1cc[n+](C)c1.[Br-],CCn1cc[n+](C)c1,[Br-],-0.6592760972675633,0.0,2.1107934541408917,2.0439912467631194,1.4058644060570495,1.3309635716072878,1.501624776329959,-0.4929490273380257,-0.5146274057769921,EMIMBr,14,0.5491174252101387,-0.6991486299502242,-0.7281317323433719,4,5,Image/COSMO files/EMIM BR.png,Image/Electrostatic Potential/EMIMBr_EP.png,Image/Electrostatic Potential/EMIMBr.png,-1.169037706069502,-1.313492202245181,-0.06535760326025339,0.49983299530686237,-0.968346006726069,1.2240574106922961,1.3165179495307846,1.2475626735333805,-0.2243104554019763,-0.248003890382739,-2.0644880256006206,1.9244711487186135,-1.4607368266860814,-0.14405546920359819,1.6192334869220355,-1.189056121614543,-1.330742057418969,1.3307420574189683,0.31078270045823225,1.3448031916772394 | |
| IL‑15 (EMIMBr),CCn1cc[n+](C)c1.[Br-],CCn1cc[n+](C)c1,[Br-],-0.22559300083491934,0.0,1.5804081078375973,1.5577822992081913,1.2855209270399048,1.3834988619869328,1.3337944952841954,-0.7468638615851694,-0.3825099534839472,EMIMBr,14,0.07460925475465223,-0.295452235416877,-0.35871313293448487,4,5,Image/COSMO files/EMIM BR.png,Image/Electrostatic Potential/EMIMBr_EP.png,Image/Electrostatic Potential/EMIMBr.png,-1.169037706069502,-1.313492202245181,-0.06535760326025339,0.49983299530686237,-0.968346006726069,1.2240574106922961,1.3165179495307846,1.2475626735333805,-0.2243104554019763,-0.248003890382739,-2.0644880256006206,1.9244711487186135,-1.4607368266860814,-0.14405546920359819,1.6192334869220355,-1.189056121614543,-1.330742057418969,1.3307420574189683,0.31078270045823225,1.3448031916772394 | |
| IL‑15 (EMIMBr),CCn1cc[n+](C)c1.[Br-],CCn1cc[n+](C)c1,[Br-],0.20809009559772462,0.0,1.1821608468961016,1.168955966873159,1.158792974543423,1.38557483821767,1.1594634232104726,-0.9799741065771017,-0.052324622846663366,EMIMBr,14,-0.34030979470931144,0.13622810439120664,0.06367503859779652,4,5,Image/COSMO files/EMIM BR.png,Image/Electrostatic Potential/EMIMBr_EP.png,Image/Electrostatic Potential/EMIMBr.png,-1.169037706069502,-1.313492202245181,-0.06535760326025339,0.49983299530686237,-0.968346006726069,1.2240574106922961,1.3165179495307846,1.2475626735333805,-0.2243104554019763,-0.248003890382739,-2.0644880256006206,1.9244711487186135,-1.4607368266860814,-0.14405546920359819,1.6192334869220355,-1.189056121614543,-1.330742057418969,1.3307420574189683,0.31078270045823225,1.3448031916772394 | |
| IL‑15 (EMIMBr),CCn1cc[n+](C)c1.[Br-],CCn1cc[n+](C)c1,[Br-],0.6417731920303686,0.0,0.8984763894608571,0.8743682339311828,1.0362828770162222,1.345873195491465,0.9894356916763849,-1.1769450070926222,0.6124300262867987,EMIMBr,14,-0.7062014248817764,0.5958923894740267,0.5425815945356236,4,5,Image/COSMO files/EMIM BR.png,Image/Electrostatic Potential/EMIMBr_EP.png,Image/Electrostatic Potential/EMIMBr.png,-1.169037706069502,-1.313492202245181,-0.06535760326025339,0.49983299530686237,-0.968346006726069,1.2240574106922961,1.3165179495307846,1.2475626735333805,-0.2243104554019763,-0.248003890382739,-2.0644880256006206,1.9244711487186135,-1.4607368266860814,-0.14405546920359819,1.6192334869220355,-1.189056121614543,-1.330742057418969,1.3307420574189683,0.31078270045823225,1.3448031916772394 | |
| IL‑15 (EMIMBr),CCn1cc[n+](C)c1.[Br-],CCn1cc[n+](C)c1,[Br-],1.0754562884630126,0.0,0.7020753103204932,0.658757523556141,0.9245930518114323,1.2813421289461009,0.8304213727087791,-1.3341640015359442,1.7578638185259157,EMIMBr,14,-1.0312706038467803,1.0835406198315831,1.0815553471611485,4,5,Image/COSMO files/EMIM BR.png,Image/Electrostatic Potential/EMIMBr_EP.png,Image/Electrostatic Potential/EMIMBr.png,-1.169037706069502,-1.313492202245181,-0.06535760326025339,0.49983299530686237,-0.968346006726069,1.2240574106922961,1.3165179495307846,1.2475626735333805,-0.2243104554019763,-0.248003890382739,-2.0644880256006206,1.9244711487186135,-1.4607368266860814,-0.14405546920359819,1.6192334869220355,-1.189056121614543,-1.330742057418969,1.3307420574189683,0.31078270045823225,1.3448031916772394 | |
| IL‑15 (EMIMBr),CCn1cc[n+](C)c1.[Br-],CCn1cc[n+](C)c1,[Br-],1.5091393848956565,0.0,0.5671607617207783,0.5037509932599349,0.8263131849588242,1.2075757735472417,0.685114959168339,-1.4559712629860448,3.525122102110309,EMIMBr,14,-1.321988184062445,1.599172795463876,1.6841451087565225,4,5,Image/COSMO files/EMIM BR.png,Image/Electrostatic Potential/EMIMBr_EP.png,Image/Electrostatic Potential/EMIMBr.png,-1.169037706069502,-1.313492202245181,-0.06535760326025339,0.49983299530686237,-0.968346006726069,1.2240574106922961,1.3165179495307846,1.2475626735333805,-0.2243104554019763,-0.248003890382739,-2.0644880256006206,1.9244711487186135,-1.4607368266860814,-0.14405546920359819,1.6192334869220355,-1.189056121614543,-1.330742057418969,1.3307420574189683,0.31078270045823225,1.3448031916772394 | |
| IL‑20 (EMIMOAc),CCn1cc[n+](C)c1.CC(=O)[O-],CCn1cc[n+](C)c1,CC(=O)[O-],-1.5266422901328514,0.0,-1.7494339049444545,-0.8252834470422707,-3.2901594223249724,-2.73174435493155,-3.1994935418789834,3.096768313579638,-0.5635530568425586,EMIMOAc,19,1.7368599964357934,-1.4225895831927096,-1.3222554639195692,4,0,Image/COSMO files/EMIM OAC.png,Image/Electrostatic Potential/EMIMOAc_EP.png,Image/Electrostatic Potential/EMIMOAc .png,-0.5036074862733771,-0.6598330659147896,-0.3905750626688571,0.6315793080171593,-1.256096840987034,-0.9844579365490039,-0.5591713384244584,0.25324274908048455,-0.2421557923848987,-0.2884941932045006,0.20701315486541758,-0.4422735379883719,0.9074240375676732,-0.15354231708918892,0.5547335878294529,-0.6603605273656263,0.06098227707887261,-0.060982277078873395,0.7377707486689697,-0.9275975798943873 | |
| IL‑20 (EMIMOAc),CCn1cc[n+](C)c1.CC(=O)[O-],CCn1cc[n+](C)c1,CC(=O)[O-],-0.6592760972675633,0.0,-1.320726416247179,-0.8201580462412236,-2.13585174535196,-2.2134123653424758,-2.1118732707203605,2.3907321779002615,-0.5634664167662959,EMIMOAc,19,0.5491174252101387,-0.6991486299502242,-0.7281317323433719,4,0,Image/COSMO files/EMIM OAC.png,Image/Electrostatic Potential/EMIMOAc_EP.png,Image/Electrostatic Potential/EMIMOAc .png,-0.5036074862733771,-0.6598330659147896,-0.3905750626688571,0.6315793080171593,-1.256096840987034,-0.9844579365490039,-0.5591713384244584,0.25324274908048455,-0.2421557923848987,-0.2884941932045006,0.20701315486541758,-0.4422735379883719,0.9074240375676732,-0.15354231708918892,0.5547335878294529,-0.6603605273656263,0.06098227707887261,-0.060982277078873395,0.7377707486689697,-0.9275975798943873 | |
| IL‑20 (EMIMOAc),CCn1cc[n+](C)c1.CC(=O)[O-],CCn1cc[n+](C)c1,CC(=O)[O-],-0.22559300083491934,0.0,-1.0938111974435027,-0.8080077350770798,-1.6703877320702438,-1.8793111096137545,-1.6820100990043623,1.9233329965379666,-0.5622274636757387,EMIMOAc,19,0.07460925475465223,-0.295452235416877,-0.35871313293448487,4,0,Image/COSMO files/EMIM OAC.png,Image/Electrostatic Potential/EMIMOAc_EP.png,Image/Electrostatic Potential/EMIMOAc .png,-0.5036074862733771,-0.6598330659147896,-0.3905750626688571,0.6315793080171593,-1.256096840987034,-0.9844579365490039,-0.5591713384244584,0.25324274908048455,-0.2421557923848987,-0.2884941932045006,0.20701315486541758,-0.4422735379883719,0.9074240375676732,-0.15354231708918892,0.5547335878294529,-0.6603605273656263,0.06098227707887261,-0.060982277078873395,0.7377707486689697,-0.9275975798943873 | |
| IL‑20 (EMIMOAc),CCn1cc[n+](C)c1.CC(=O)[O-],CCn1cc[n+](C)c1,CC(=O)[O-],0.20809009559772462,0.0,-0.8854416748309563,-0.7816766025272912,-1.2841399067982153,-1.528276620738102,-1.3329817131088624,1.4212594997503203,-0.5523331669665345,EMIMOAc,19,-0.34030979470931144,0.13622810439120664,0.06367503859779652,4,0,Image/COSMO files/EMIM OAC.png,Image/Electrostatic Potential/EMIMOAc_EP.png,Image/Electrostatic Potential/EMIMOAc .png,-0.5036074862733771,-0.6598330659147896,-0.3905750626688571,0.6315793080171593,-1.256096840987034,-0.9844579365490039,-0.5591713384244584,0.25324274908048455,-0.2421557923848987,-0.2884941932045006,0.20701315486541758,-0.4422735379883719,0.9074240375676732,-0.15354231708918892,0.5547335878294529,-0.6603605273656263,0.06098227707887261,-0.060982277078873395,0.7377707486689697,-0.9275975798943873 | |
| IL‑20 (EMIMOAc),CCn1cc[n+](C)c1.CC(=O)[O-],CCn1cc[n+](C)c1,CC(=O)[O-],0.6417731920303686,0.0,-0.7040820178921188,-0.7373983796326217,-0.9728647741108529,-1.1872292607562656,-1.060445532306935,0.9239909844554404,-0.5026277552146033,EMIMOAc,19,-0.7062014248817764,0.5958923894740267,0.5425815945356236,4,0,Image/COSMO files/EMIM OAC.png,Image/Electrostatic Potential/EMIMOAc_EP.png,Image/Electrostatic Potential/EMIMOAc .png,-0.5036074862733771,-0.6598330659147896,-0.3905750626688571,0.6315793080171593,-1.256096840987034,-0.9844579365490039,-0.5591713384244584,0.25324274908048455,-0.2421557923848987,-0.2884941932045006,0.20701315486541758,-0.4422735379883719,0.9074240375676732,-0.15354231708918892,0.5547335878294529,-0.6603605273656263,0.06098227707887261,-0.060982277078873395,0.7377707486689697,-0.9275975798943873 | |
| IL‑20 (EMIMOAc),CCn1cc[n+](C)c1.CC(=O)[O-],CCn1cc[n+](C)c1,CC(=O)[O-],1.0754562884630126,0.0,-0.5509722005002348,-0.6766631988943344,-0.7279727813351529,-0.8763939008026524,-0.8556248347077136,0.463846344538755,-0.3308204839855994,EMIMOAc,19,-1.0312706038467803,1.0835406198315831,1.0815553471611485,4,0,Image/COSMO files/EMIM OAC.png,Image/Electrostatic Potential/EMIMOAc_EP.png,Image/Electrostatic Potential/EMIMOAc .png,-0.5036074862733771,-0.6598330659147896,-0.3905750626688571,0.6315793080171593,-1.256096840987034,-0.9844579365490039,-0.5591713384244584,0.25324274908048455,-0.2421557923848987,-0.2884941932045006,0.20701315486541758,-0.4422735379883719,0.9074240375676732,-0.15354231708918892,0.5547335878294529,-0.6603605273656263,0.06098227707887261,-0.060982277078873395,0.7377707486689697,-0.9275975798943873 | |
| IL‑20 (EMIMOAc),CCn1cc[n+](C)c1.CC(=O)[O-],CCn1cc[n+](C)c1,CC(=O)[O-],1.5091393848956565,0.0,-0.4239018344464772,-0.605480715564775,-0.5387590381995357,-0.6067563826604604,-0.7076239283065903,0.05980035385435393,0.113131930792282,EMIMOAc,19,-1.321988184062445,1.599172795463876,1.6841451087565225,4,0,Image/COSMO files/EMIM OAC.png,Image/Electrostatic Potential/EMIMOAc_EP.png,Image/Electrostatic Potential/EMIMOAc .png,-0.5036074862733771,-0.6598330659147896,-0.3905750626688571,0.6315793080171593,-1.256096840987034,-0.9844579365490039,-0.5591713384244584,0.25324274908048455,-0.2421557923848987,-0.2884941932045006,0.20701315486541758,-0.4422735379883719,0.9074240375676732,-0.15354231708918892,0.5547335878294529,-0.6603605273656263,0.06098227707887261,-0.060982277078873395,0.7377707486689697,-0.9275975798943873 | |