Unnamed: 0,FORMULATION,Specific Capacity,FORMULATION_CANONICAL_SMILES,FORMULATION_MOLECULAR_FORMULA,FORMULATION_IUPAC_NAME,FORMULATION_INCHI,FORMULATION_SELFIES 76,C1COCO156.0CN(C)CCN(C)C38.0[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F4.0[Li+].[N+](=O)([O-])[O-]2.0,0.0,C1COCO156.0CN(C)CCN(C)C38.0[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F4.0O=[N+]([O-])[O-].[Li+]2.0,C3H6O256.0C6H16N238.0C2F6LiNO4S24.0LiNO32.0,"1,3-dioxolane56.0N,N,N',N'-tetramethylethane-1,2-diamine38.0lithium;bis(trifluoromethylsulfonyl)azanide4.0lithium;nitrate2.0","InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H256.0InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H338.0InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+14.0InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.0",[C][C][O][C][O][Ring1][Branch1]56.0[C][N][Branch1][C][C][C][C][N][Branch1][C][C][C]38.0[Li][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]4.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 33,COCCC#N56.0C(C#N)I42.0C(COCCOCCC#N)C#N0.0[Li+].[N+](=O)([O-])[O-]2.0,98.0,COCCC#N56.0N#CCI42.0N#CCCOCCOCCC#N0.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO56.0C2H2IN42.0C8H12N2O20.0LiNO32.0,3-methoxypropanenitrile56.02-iodoacetonitrile42.03-[2-(2-cyanoethoxy)ethoxy]propanenitrile0.0lithium;nitrate2.0,"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H356.0InChI=1S/C2H2IN/c3-1-2-4/h1H242.0InChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H20.0InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.0",[C][O][C][C][C][#N]56.0[N][#C][C][I]42.0[N][#C][C][C][O][C][C][O][C][C][C][#N]0.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 61,COCCC#N56.0COS(=O)OC42.0C1CCC(=O)OCC10.0[Li+].[N+](=O)([O-])[O-]2.0,15.4926,COCCC#N56.0COS(=O)OC42.0O=C1CCCCCO10.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO56.0C2H6O3S42.0C6H10O20.0LiNO32.0,3-methoxypropanenitrile56.0dimethyl sulfite42.0oxepan-2-one0.0lithium;nitrate2.0,"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H356.0InChI=1S/C2H6O3S/c1-4-6(3)5-2/h1-2H342.0InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H20.0InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.0",[C][O][C][C][C][#N]56.0[C][O][S][=Branch1][C][=O][O][C]42.0[O][=C][C][C][C][C][C][O][Ring1][#Branch1]0.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 74,C1COCO156.0CC1=CCOC1=O38.0[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F4.0[Li+].[N+](=O)([O-])[O-]2.0,93.0,C1COCO156.0CC1=CCOC1=O38.0[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F4.0O=[N+]([O-])[O-].[Li+]2.0,C3H6O256.0C5H6O238.0C2F6LiNO4S24.0LiNO32.0,"1,3-dioxolane56.04-methyl-2H-furan-5-one38.0lithium;bis(trifluoromethylsulfonyl)azanide4.0lithium;nitrate2.0","InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H256.0InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H338.0InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+14.0InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.0",[C][C][O][C][O][Ring1][Branch1]56.0[C][C][=C][C][O][C][Ring1][Branch1][=O]38.0[Li][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]4.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 102,C1COCO163.61COCCOCCOCCOCCOC16.1C1COCOC110.4[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F4.44[Li+].O=C1O[B-]2(OC1=O)OC(=O)C(=O)O23.55[Li+].[N+](=O)([O-])[O-]1.9,80.0,C1COCO163.61COCCOCCOCCOCCOC16.1C1COCOC110.4[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F4.44O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+]3.55O=[N+]([O-])[O-].[Li+]1.9,C3H6O263.61C10H22O516.1C4H8O210.4C2F6LiNO4S24.44C4BLiO83.55LiNO31.9,"1,3-dioxolane63.611-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane16.11,3-dioxane10.4lithium;bis(trifluoromethylsulfonyl)azanide4.44lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone3.55lithium;nitrate1.9","InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H263.61InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H316.1InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H210.4InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+14.44InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+13.55InChI=1S/Li.NO3/c;2-1(3)4/q+1;-11.9",[C][C][O][C][O][Ring1][Branch1]63.61[C][O][C][C][O][C][C][O][C][C][O][C][C][O][C]16.1[C][C][O][C][O][C][Ring1][=Branch1]10.4[Li][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]4.44[O][=C][O][B-1][Branch1][=Branch1][O][C][Ring1][Branch1][=O][O][C][=Branch1][C][=O][C][=Branch1][C][=O][O][Ring1][#Branch2].[Li+1]3.55[O][=N+1][Branch1][C][O-1][O-1].[Li+1]1.9 22,COCCC#N56.0Cc1ccccc142.0O1CCOC10.0[Li+].[N+](=O)([O-])[O-]2.0,78.8351,COCCC#N56.0Cc1ccccc142.0C1COCO10.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO56.0C7H842.0C3H6O20.0LiNO32.0,"3-methoxypropanenitrile56.0toluene42.01,3-dioxolane0.0lithium;nitrate2.0","InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H356.0InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H342.0InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H20.0InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.0",[C][O][C][C][C][#N]56.0[C][C][=C][C][=C][C][=C][Ring1][=Branch1]42.0[C][C][O][C][O][Ring1][Branch1]0.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 59,COCCC#N56.0CCN(CC)C(=O)N(CC)CC42.0C1CCC(=O)OCC10.0[Li+].[N+](=O)([O-])[O-]2.0,24.8382,COCCC#N56.0CCN(CC)C(=O)N(CC)CC42.0O=C1CCCCCO10.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO56.0C9H20N2O42.0C6H10O20.0LiNO32.0,"3-methoxypropanenitrile56.01,1,3,3-tetraethylurea42.0oxepan-2-one0.0lithium;nitrate2.0","InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H356.0InChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H342.0InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H20.0InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.0",[C][O][C][C][C][#N]56.0[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C]42.0[O][=C][C][C][C][C][C][O][Ring1][#Branch1]0.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 51,COCCC#N56.0CC(C)O[V](=O)(OC(C)C)OC(C)C42.0C1CCC(=O)OCC10.0[Li+].[N+](=O)([O-])[O-]2.0,0.0,COCCC#N56.0CC(C)O[V](=O)(OC(C)C)OC(C)C42.0O=C1CCCCCO10.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO56.0C9H21O4V42.0C6H10O20.0LiNO32.0,3-methoxypropanenitrile56.0oxovanadium;propan-2-ol42.0oxepan-2-one0.0lithium;nitrate2.0,"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H356.0InChI=1S/3C3H7O.O.V/c3*1-3(2)4;;/h3*3H,1-2H3;;/q3*-1;;+342.0InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H20.0InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.0",[C][O][C][C][C][#N]56.0[C][C][Branch1][C][C][O][V][=Branch1][C][=O][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]42.0[O][=C][C][C][C][C][C][O][Ring1][#Branch1]0.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 60,COCCC#N56.0CC1=CCOC1=O42.0C1CCC(=O)OCC10.0[Li+].[N+](=O)([O-])[O-]2.0,94.4838,COCCC#N56.0CC1=CCOC1=O42.0O=C1CCCCCO10.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO56.0C5H6O242.0C6H10O20.0LiNO32.0,3-methoxypropanenitrile56.04-methyl-2H-furan-5-one42.0oxepan-2-one0.0lithium;nitrate2.0,"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H356.0InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H342.0InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H20.0InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.0",[C][O][C][C][C][#N]56.0[C][C][=C][C][O][C][Ring1][Branch1][=O]42.0[O][=C][C][C][C][C][C][O][Ring1][#Branch1]0.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 95,CN1CCN(C)C1=O21.21C1COCO170.48[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F3.671[Li+].O=C1O[B-]2(OC1=O)OC(=O)C(=O)O22.93[Li+].[N+](=O)([O-])[O-]1.709,76.0,CN1CCN(C)C1=O21.21C1COCO170.48[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F3.671O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+]2.93O=[N+]([O-])[O-].[Li+]1.709,C5H10N2O21.21C3H6O270.48C2F6LiNO4S23.671C4BLiO82.93LiNO31.709,"1,3-dimethylimidazolidin-2-one21.211,3-dioxolane70.48lithium;bis(trifluoromethylsulfonyl)azanide3.671lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone2.93lithium;nitrate1.709","InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H321.21InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H270.48InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+13.671InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+12.93InChI=1S/Li.NO3/c;2-1(3)4/q+1;-11.709",[C][N][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O]21.21[C][C][O][C][O][Ring1][Branch1]70.48[Li][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]3.671[O][=C][O][B-1][Branch1][=Branch1][O][C][Ring1][Branch1][=O][O][C][=Branch1][C][=O][C][=Branch1][C][=O][O][Ring1][#Branch2].[Li+1]2.93[O][=N+1][Branch1][C][O-1][O-1].[Li+1]1.709 13,COCCC#N47.0COCCOC41.0C1=CC=NC=C110.0[Li+].[N+](=O)([O-])[O-]2.0,112.67083,COCCC#N47.0COCCOC41.0c1ccncc110.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO47.0C4H10O241.0C5H5N10.0LiNO32.0,"3-methoxypropanenitrile47.01,2-dimethoxyethane41.0pyridine10.0lithium;nitrate2.0","InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H347.0InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H341.0InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H10.0InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.0",[C][O][C][C][C][#N]47.0[C][O][C][C][O][C]41.0[C][=C][C][=N][C][=C][Ring1][=Branch1]10.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 10,COCCC#N56.0COCCOC42.0C1COC(=O)O10.0[Li+].[N+](=O)([O-])[O-]2.0,149.13,COCCC#N56.0COCCOC42.0O=C1OCCO10.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO56.0C4H10O242.0C3H4O30.0LiNO32.0,"3-methoxypropanenitrile56.01,2-dimethoxyethane42.01,3-dioxolan-2-one0.0lithium;nitrate2.0","InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H356.0InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H342.0InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H20.0InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.0",[C][O][C][C][C][#N]56.0[C][O][C][C][O][C]42.0[O][=C][O][C][C][O][Ring1][Branch1]0.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 89,C1COCO164.95COCCOCCOCCOCCOC12.81FC(F)C(F)(F)COC(F)(F)C(F)F11.45[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F4.85[Li+].O=C1O[B-]2(OC1=O)OC(=O)C(=O)O23.88[Li+].[N+](=O)([O-])[O-]2.06,83.0,C1COCO164.95COCCOCCOCCOCCOC12.81FC(F)C(F)(F)COC(F)(F)C(F)F11.45[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F4.85O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+]3.88O=[N+]([O-])[O-].[Li+]2.06,C3H6O264.95C10H22O512.81C5H4F8O11.45C2F6LiNO4S24.85C4BLiO83.88LiNO32.06,"1,3-dioxolane64.951-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane12.811,1,2,2-tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane11.45lithium;bis(trifluoromethylsulfonyl)azanide4.85lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone3.88lithium;nitrate2.06","InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H264.95InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H312.81InChI=1S/C5H4F8O/c6-2(7)4(10,11)1-14-5(12,13)3(8)9/h2-3H,1H211.45InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+14.85InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+13.88InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.06",[C][C][O][C][O][Ring1][Branch1]64.95[C][O][C][C][O][C][C][O][C][C][O][C][C][O][C]12.81[F][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F]11.45[Li][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]4.85[O][=C][O][B-1][Branch1][=Branch1][O][C][Ring1][Branch1][=O][O][C][=Branch1][C][=O][C][=Branch1][C][=O][O][Ring1][#Branch2].[Li+1]3.88[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.06 106,COCCOCCOCCOCCOC21.09C1COCO167.38[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F4.87[Li+].O=C1O[B-]2(OC1=O)OC(=O)C(=O)O23.92[Li+].[N+](=O)([O-])[O-]2.74,89.0,COCCOCCOCCOCCOC21.09C1COCO167.38[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F4.87O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+]3.92O=[N+]([O-])[O-].[Li+]2.74,C10H22O521.09C3H6O267.38C2F6LiNO4S24.87C4BLiO83.92LiNO32.74,"1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane21.091,3-dioxolane67.38lithium;bis(trifluoromethylsulfonyl)azanide4.87lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone3.92lithium;nitrate2.74","InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H321.09InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H267.38InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+14.87InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+13.92InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.74",[C][O][C][C][O][C][C][O][C][C][O][C][C][O][C]21.09[C][C][O][C][O][Ring1][Branch1]67.38[Li][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]4.87[O][=C][O][B-1][Branch1][=Branch1][O][C][Ring1][Branch1][=O][O][C][=Branch1][C][=O][C][=Branch1][C][=O][O][Ring1][#Branch2].[Li+1]3.92[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.74