data/lce/test.csv

smi1,conc1,smi2,conc2,smi3,conc3,smi4,conc4,smi5,conc5,smi6,conc6,LCE
C1C(OC(=O)O1)F,0.733,FS([N-]S(F)(=O)=O)(=O)=O.[Li+],0.267,O,0.0,O,0.0,O,0.0,O,0.0,1.629
C1C(OC(=O)O1)F,0.497,COC(=O)OC,0.431,[Li+].F[P-](F)(F)(F)(F)F,0.072,O,0.0,O,0.0,O,0.0,1.085
COC(=O)OC,0.299,C(C(F)(F)F)OCC(F)(F)F,0.598,FS([N-]S(F)(=O)=O)(=O)=O.[Li+],0.103,O,0.0,O,0.0,O,0.0,2.056
COCCOC,0.358,O1CCOC1,0.532,[Li+].C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,0.074,[Li+].[N+](=O)([O-])[O-],,O,0.0,O,0.0,1.658
C1COC(=O)O1,0.197,COC(=O)OC,0.156,COCCOCCOCCOCCOC,0.59,[Li+].F[P-](F)(F)(F)(F)F,0.026,[Li+].[N+](=O)([O-])[O-],0.031,O,0.0,1.638
C1COC(=O)O1,0.496,COC(=O)OC,0.43,O1CCOCCOCCOCC1,0.002,[Li+].F[P-](F)(F)(F)(F)F,0.072,O,0.0,O,0.0,1.276
O1CCOC1,0.368,COCCOC,0.547,[Li+].C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,0.076,CSi(C)(C)([N+]).C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.008,O,0.0,O,0.0,1.569
COCCOC,0.507,COC(C(F)(F)F)C(F)(F)F,0.399,FS([N-]S(F)(=O)=O)(=O)=O.[Li+],0.095,O,0.0,O,0.0,O,0.0,2.268
C1COC(=O)O1,0.425,O=C(OCC)OCC(F)(F)F,0.481,FS([N-]S(F)(=O)=O)(=O)=O.[Li+],0.094,O,0.0,O,0.0,O,0.0,1.602
C1C(OC(=O)O1)F,0.318,CCOC(=O)OC,0.504,COC(=O)OC,0.094,B(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C),0.083,[Li+].F[P-](F)(F)(F)(F)F,0.001,O,0.0,1.678
O=S1(=O)CCCC1,0.359,C(C(F)(F)F)OC(C(F)F)(F)F,0.504,[Li+].C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,0.133,[Li+].[N+](=O)([O-])[O-],0.004,O,0.0,O,0.0,2.0
C1COC(=O)O1,0.594,O=C(OCC)OCC,0.327,[Li+].F[P-](F)(F)(F)(F)F,0.079,O,0.0,O,0.0,O,0.0,0.921
C1COC(=O)O1,0.331,O=C(OCC)OCC,0.577,[Li+].[B-]1(OC(=O)C(=O)O1)(F)F,0.092,O,0.0,O,0.0,O,0.0,1.301
C1COC(=O)O1,0.507,COC(=O)OC,0.402,C1=COC(=O)O1,0.022,[Li+].C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(F)(F)F)(F)F)(F)(F)F,0.069,O,0.0,O,0.0,0.854
C1C(OC(=O)O1)F,0.107,C1COC(=O)O1,0.526,O=C(OCC)OCC,0.289,[Li+].F[P-](F)(F)(F)(F)F,0.078,O,0.0,O,0.0,1.108
O1CCOC1,0.322,COCCOC,0.478,[Li+].C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.2,O,0.0,O,0.0,O,0.0,1.523
CC1COC(=O)O1,0.595,FS([N-]S(F)(=O)=O)(=O)=O.[Li+],0.405,O,0.0,O,0.0,O,0.0,O,0.0,1.921
CC1COC(=O)O1,0.702,FS([N-]S(F)(=O)=O)(=O)=O.[Li+],0.298,O,0.0,O,0.0,O,0.0,O,0.0,1.602
O1CCOC1,0.375,COCCOC,0.557,[Li+][S-]SSS[S-][Li+],,[Li+].[N+](=O)([O-])[O-],0.008,[Li+].C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,0.061,O,0.0,1.523
COC(=O)OC,0.161,FC(F)C(F)(F)COC(F)(F)C(F)F,0.355,FS([N-]S(F)(=O)=O)(=O)=O.[Li+],0.484,O,0.0,O,0.0,O,0.0,2.155
C1COC(=O)O1,0.338,COC(=O)OC,0.625,[Li+].[O-]P(=O)(F)F,0.008,[Li+].C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,0.03,O,0.0,O,0.0,1.26
CN(C)C(=O)C(F)(F)F,0.362,C1C(OC(=O)O1)F,0.556,[Li+].C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,0.081,O,0.0,O,0.0,O,0.0,2.155
C1C(OC(=O)O1)F,0.497,COC(=O)OC,0.43,O1CCOCCOCCOCC1,0.0,[Li+].F[P-](F)(F)(F)(F)F,0.072,O,0.0,O,0.0,1.225
COCCOC,0.231,FC1CCCCC1,0.577,FS([N-]S(F)(=O)=O)(=O)=O.[Li+],0.192,O,0.0,O,0.0,O,0.0,2.155
COCCOC,0.277,FC(F)C(F)(F)COC(F)(F)C(F)F,0.555,FS([N-]S(F)(=O)=O)(=O)=O.[Li+],0.168,O,0.0,O,0.0,O,0.0,2.155
O1C(C)CCC1,0.331,FC(F)C(F)(F)COC(F)(F)C(F)F,0.498,FS([N-]S(F)(=O)=O)(=O)=O.[Li+],0.171,O,0.0,O,0.0,O,0.0,2.301
COCC(F)(F)C(F)(F)COC,0.864,FS([N-]S(F)(=O)=O)(=O)=O.[Li+],0.136,O,0.0,O,0.0,O,0.0,O,0.0,1.991
COC(=O)OC,0.29,C(C(F)(F)F)OCC(F)(F)F,0.589,FS([N-]S(F)(=O)=O)(=O)=O.[Li+],0.121,O,0.0,O,0.0,O,0.0,2.301
C1COC(=O)O1,0.425,O=C(OCC)OCC,0.234,[Li+].F[P-](F)(F)(F)(F)F,0.34,O,0.0,O,0.0,O,0.0,1.398
COCCOC,0.707,[Li+].C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F,0.147,[Li+].[B-]1(OC(=O)C(=O)O1)(F)F,0.147,O,0.0,O,0.0,O,0.0,1.268