Spaces:
Running
Running
smiles1,conc1,mol1,smiles2,conc2,mol2,smiles3,conc3,mol3,smiles4,conc4,mol4,smiles5,conc5,mol5,smiles6,conc6,LCE_Predicted,LCE | |
C1COC(=O)O1,0.519,51.92400559,COC(=O)OC,0.411,41.14791596,[Li+].[N-](S(=O)(=O)F)S(=O)(=O)F,0.069,6.928078454,O,0,0,O,0,0,O,0,1.187,1.094 | |
COCCOC,0.596,59.5609428,COCCOCCOCCOCCOC,0.281,28.07124115,[Li+].[N-](S(=O)(=O)F)S(=O)(=O)F,0.124,12.36781605,O,0,0,O,0,0,O,0,1.691,1.384 | |
C1COC(=O)O1,0.285,28.50894036,C1C(OC(=O)O1)F,0.261,26.07552384,[Li+].[N-](S(=O)(=O)F)S(=O)(=O)F,0.228,22.82322096,COC(=O)OC,0.226,22.59231484,O,0,0,O,0,1.508,1.468 | |
COCCOC,0.434,43.4423376,COCCOCCOCCOCCOC,0.205,20.47449683,[Li+].[N-](S(=O)(=O)F)S(=O)(=O)F,0.361,36.08316557,O,0,0,O,0,0,O,0,1.882,1.71 | |
C1C(OC(=O)O1)F,0.187,18.72872664,COC(=O)OC,0.162,16.22691423,[Li+].[N-](S(=O)(=O)F)S(=O)(=O)F,0.109,10.92850826,FC(F)C(F)(F)COC(F)(F)C(F)F,0.541,54.11585087,O,0,0,O,0,2.103,1.832 | |
C1COC(=O)O1,0.134,13.35070843,C1C(OC(=O)O1)F,0.122,12.2111419,[Li+].[N-](S(=O)(=O)F)S(=O)(=O)F,0.107,10.72028474,COC(=O)OC,0.106,10.57995858,FC(F)C(F)(F)COC(F)(F)C(F)F,0.531,53.13790635,O,0,2.077,2.104 | |
COCCOC,0.096,9.614613177,COCCOCCOCCOCCOC,0.045,4.53139444,[Li+].[N-](S(=O)(=O)F)S(=O)(=O)F,0.12,12.01491409,C1COCO1,0.143,14.28400162,FC(F)C(F)(F)COC(F)(F)C(F)F,0.596,59.55507668,O,0,2.211,2.274 | |
C1COC(=O)O1,0.519,51.92400559,COC(=O)OC,0.411,41.14791596,[Li+].F[P-](F)(F)(F)(F)F,0.069,6.928078454,O,0,0,O,0,0,O,0,1.17,1.071 | |
C1COC(=O)O1,0.519,51.92400559,COC(=O)OC,0.411,41.14791596,[Li+].C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,0.069,6.928078454,O,0,0,O,0,0,O,0,1.077,1.166 | |
C1COC(=O)O1,0.519,51.85215842,COC(=O)OC,0.411,41.09097965,[Li+].[N-](S(=O)(=O)F)S(=O)(=O)F,0.069,6.918492083,[Li+].[N+](=O)([O-])[O-],0.001,0.138369842,O,0,0,O,0,1.19,1.335 | |
C1COC(=O)O1,0.513,51.33049845,COC(=O)OC,0.407,40.6775828,[Li+].[N-](S(=O)(=O)F)S(=O)(=O)F,0.069,6.9173773,C1=COC(=O)O1,0.011,1.07454145,O,0,0,O,0,1.114,1.129 | |
COCCOC,0.53,53.00533987,COCCOCCOCCOCCOC,0.25,24.98156691,[Li+].[N-](S(=O)(=O)F)S(=O)(=O)F,0.22,22.01309322,O,0,0,O,0,0,O,0,1.758,1.501 | |
COCCOC,0.477,47.74974224,COCCOCCOCCOCCOC,0.225,22.50458884,[Li+].[N-](S(=O)(=O)F)S(=O)(=O)F,0.297,29.74566892,O,0,0,O,0,0,O,0,1.821,1.663 |