YummyYum's picture
Upload folder using huggingface_hub
5c5099a verified
Raw
History Blame Contribute Delete
18.3 kB
Unnamed: 0,FORMULATION,Specific Capacity,FORMULATION_CANONICAL_SMILES,FORMULATION_MOLECULAR_FORMULA,FORMULATION_IUPAC_NAME,FORMULATION_INCHI,FORMULATION_SELFIES
3,<formulation_start>COCCC#N<sep>52.0<sep>COCCOC<sep>46.0<sep>O=C1N(C)CCCN1C<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,124.5438462,<formulation_start><smiles>COCCC#N<sep>52.0<sep><smiles>COCCOC<sep>46.0<sep><smiles>CN1CCCN(C)C1=O<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>52.0<sep><formula>C4H10O2<sep>46.0<sep><formula>C6H12N2O<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,"<formulation_start><iupac>3-methoxypropanenitrile<sep>52.0<sep><iupac>1,2-dimethoxyethane<sep>46.0<sep><iupac>1,3-dimethyl-1,3-diazinan-2-one<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>","<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>52.0<sep><inchi>InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3<sep>46.0<sep><inchi>InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>52.0<sep><selfies>[C][O][C][C][O][C]<sep>46.0<sep><selfies>[C][N][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=O]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end>
16,<formulation_start>COCCC#N<sep>56.0<sep>CCOC=O<sep>42.0<sep>C1=CC=NC=C1<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,101.017,<formulation_start><smiles>COCCC#N<sep>56.0<sep><smiles>CCOC=O<sep>42.0<sep><smiles>c1ccncc1<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>56.0<sep><formula>C3H6O2<sep>42.0<sep><formula>C5H5N<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,<formulation_start><iupac>3-methoxypropanenitrile<sep>56.0<sep><iupac>ethyl formate<sep>42.0<sep><iupac>pyridine<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>,"<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>56.0<sep><inchi>InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3<sep>42.0<sep><inchi>InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>56.0<sep><selfies>[C][C][O][C][=O]<sep>42.0<sep><selfies>[C][=C][C][=N][C][=C][Ring1][=Branch1]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end>
45,<formulation_start>COCCC#N<sep>56.0<sep>C1=CC=C(C=C1)COC(=O)OC2=CC=CC=C2<sep>42.0<sep>C1CCC(=O)OCC1<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,0.0,<formulation_start><smiles>COCCC#N<sep>56.0<sep><smiles>O=C(OCc1ccccc1)Oc1ccccc1<sep>42.0<sep><smiles>O=C1CCCCCO1<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>56.0<sep><formula>C14H12O3<sep>42.0<sep><formula>C6H10O2<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,<formulation_start><iupac>3-methoxypropanenitrile<sep>56.0<sep><iupac>benzyl phenyl carbonate<sep>42.0<sep><iupac>oxepan-2-one<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>,"<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>56.0<sep><inchi>InChI=1S/C14H12O3/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2<sep>42.0<sep><inchi>InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>56.0<sep><selfies>[O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]<sep>42.0<sep><selfies>[O][=C][C][C][C][C][C][O][Ring1][#Branch1]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end>
24,<formulation_start>COCCC#N<sep>56.0<sep>CC(C)(C)C#N<sep>42.0<sep>O1CCOC1<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,109.7,<formulation_start><smiles>COCCC#N<sep>56.0<sep><smiles>CC(C)(C)C#N<sep>42.0<sep><smiles>C1COCO1<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>56.0<sep><formula>C5H9N<sep>42.0<sep><formula>C3H6O2<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,"<formulation_start><iupac>3-methoxypropanenitrile<sep>56.0<sep><iupac>2,2-dimethylpropanenitrile<sep>42.0<sep><iupac>1,3-dioxolane<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>","<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>56.0<sep><inchi>InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3<sep>42.0<sep><inchi>InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>56.0<sep><selfies>[C][C][Branch1][C][C][Branch1][C][C][C][#N]<sep>42.0<sep><selfies>[C][C][O][C][O][Ring1][Branch1]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end>
92,<formulation_start>C1COCO1<sep>73.27<sep>COCCOCCOCCOCCOC<sep>16.77<sep>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>4.48<sep>[Li+].[N+](=O)([O-])[O-]<sep>1.9<sep>[Li+].O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2<sep>3.58<formulation_end>,90.0,<formulation_start><smiles>C1COCO1<sep>73.27<sep><smiles>COCCOCCOCCOCCOC<sep>16.77<sep><smiles>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>4.48<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>1.9<sep><smiles>O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+]<sep>3.58<formulation_end>,<formulation_start><formula>C3H6O2<sep>73.27<sep><formula>C10H22O5<sep>16.77<sep><formula>C2F6LiNO4S2<sep>4.48<sep><formula>LiNO3<sep>1.9<sep><formula>C4BLiO8<sep>3.58<formulation_end>,"<formulation_start><iupac>1,3-dioxolane<sep>73.27<sep><iupac>1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane<sep>16.77<sep><iupac>lithium;bis(trifluoromethylsulfonyl)azanide<sep>4.48<sep><iupac>lithium;nitrate<sep>1.9<sep><iupac>lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone<sep>3.58<formulation_end>","<formulation_start><inchi>InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2<sep>73.27<sep><inchi>InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3<sep>16.77<sep><inchi>InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+1<sep>4.48<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>1.9<sep><inchi>InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+1<sep>3.58<formulation_end>",<formulation_start><selfies>[C][C][O][C][O][Ring1][Branch1]<sep>73.27<sep><selfies>[C][O][C][C][O][C][C][O][C][C][O][C][C][O][C]<sep>16.77<sep><selfies>[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]<sep>4.48<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>1.9<sep><selfies>[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]<sep>3.58<formulation_end>
90,<formulation_start>COCCOCCOCCOCCOC<sep>30.41<sep>O=C(OCC)OCC<sep>54.16<sep>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>6.97<sep>[Li+].O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2<sep>5.55<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.91<formulation_end>,0.0,<formulation_start><smiles>COCCOCCOCCOCCOC<sep>30.41<sep><smiles>CCOC(=O)OCC<sep>54.16<sep><smiles>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>6.97<sep><smiles>O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+]<sep>5.55<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.91<formulation_end>,<formulation_start><formula>C10H22O5<sep>30.41<sep><formula>C5H10O3<sep>54.16<sep><formula>C2F6LiNO4S2<sep>6.97<sep><formula>C4BLiO8<sep>5.55<sep><formula>LiNO3<sep>2.91<formulation_end>,"<formulation_start><iupac>1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane<sep>30.41<sep><iupac>diethyl carbonate<sep>54.16<sep><iupac>lithium;bis(trifluoromethylsulfonyl)azanide<sep>6.97<sep><iupac>lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone<sep>5.55<sep><iupac>lithium;nitrate<sep>2.91<formulation_end>","<formulation_start><inchi>InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3<sep>30.41<sep><inchi>InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3<sep>54.16<sep><inchi>InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+1<sep>6.97<sep><inchi>InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+1<sep>5.55<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.91<formulation_end>",<formulation_start><selfies>[C][O][C][C][O][C][C][O][C][C][O][C][C][O][C]<sep>30.41<sep><selfies>[C][C][O][C][=Branch1][C][=O][O][C][C]<sep>54.16<sep><selfies>[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]<sep>6.97<sep><selfies>[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]<sep>5.55<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.91<formulation_end>
7,<formulation_start>COCCC#N<sep>47.0<sep>COCCOC<sep>41.0<sep>O=C1N(C)CCCN1C<sep>10.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,87.04237,<formulation_start><smiles>COCCC#N<sep>47.0<sep><smiles>COCCOC<sep>41.0<sep><smiles>CN1CCCN(C)C1=O<sep>10.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>47.0<sep><formula>C4H10O2<sep>41.0<sep><formula>C6H12N2O<sep>10.0<sep><formula>LiNO3<sep>2.0<formulation_end>,"<formulation_start><iupac>3-methoxypropanenitrile<sep>47.0<sep><iupac>1,2-dimethoxyethane<sep>41.0<sep><iupac>1,3-dimethyl-1,3-diazinan-2-one<sep>10.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>","<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>47.0<sep><inchi>InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3<sep>41.0<sep><inchi>InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3<sep>10.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>47.0<sep><selfies>[C][O][C][C][O][C]<sep>41.0<sep><selfies>[C][N][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=O]<sep>10.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end>
26,<formulation_start>COCCC#N<sep>56.0<sep>CCOC=O<sep>42.0<sep>CS(=O)C<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,88.08,<formulation_start><smiles>COCCC#N<sep>56.0<sep><smiles>CCOC=O<sep>42.0<sep><smiles>CS(C)=O<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>56.0<sep><formula>C3H6O2<sep>42.0<sep><formula>C2H6OS<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,<formulation_start><iupac>3-methoxypropanenitrile<sep>56.0<sep><iupac>ethyl formate<sep>42.0<sep><iupac>methylsulfinylmethane<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>,"<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>56.0<sep><inchi>InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3<sep>42.0<sep><inchi>InChI=1S/C2H6OS/c1-4(2)3/h1-2H3<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>56.0<sep><selfies>[C][C][O][C][=O]<sep>42.0<sep><selfies>[C][S][Branch1][C][C][=O]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end>
2,<formulation_start>COCCC#N<sep>56.0<sep>C1=CC=C(C=C1)OCC#N<sep>42.0<sep>O=C1N(C)CCCN1C<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,48.07410714,<formulation_start><smiles>COCCC#N<sep>56.0<sep><smiles>N#CCOc1ccccc1<sep>42.0<sep><smiles>CN1CCCN(C)C1=O<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>56.0<sep><formula>C8H7NO<sep>42.0<sep><formula>C6H12N2O<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,"<formulation_start><iupac>3-methoxypropanenitrile<sep>56.0<sep><iupac>2-phenoxyacetonitrile<sep>42.0<sep><iupac>1,3-dimethyl-1,3-diazinan-2-one<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>","<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>56.0<sep><inchi>InChI=1S/C8H7NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2<sep>42.0<sep><inchi>InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>56.0<sep><selfies>[N][#C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]<sep>42.0<sep><selfies>[C][N][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=O]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end>
99,<formulation_start>C1COCOC1<sep>62.68<sep>COCCOCCOCCOCCOC<sep>19.35<sep>CCOCCOCCOC(=O)C<sep>6.12<sep>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>5.34<sep>[Li+].O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2<sep>4.27<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.24<formulation_end>,35.0,<formulation_start><smiles>C1COCOC1<sep>62.68<sep><smiles>COCCOCCOCCOCCOC<sep>19.35<sep><smiles>CCOCCOCCOC(C)=O<sep>6.12<sep><smiles>[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F<sep>5.34<sep><smiles>O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+]<sep>4.27<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.24<formulation_end>,<formulation_start><formula>C4H8O2<sep>62.68<sep><formula>C10H22O5<sep>19.35<sep><formula>C8H16O4<sep>6.12<sep><formula>C2F6LiNO4S2<sep>5.34<sep><formula>C4BLiO8<sep>4.27<sep><formula>LiNO3<sep>2.24<formulation_end>,"<formulation_start><iupac>1,3-dioxane<sep>62.68<sep><iupac>1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane<sep>19.35<sep><iupac>2-(2-ethoxyethoxy)ethyl acetate<sep>6.12<sep><iupac>lithium;bis(trifluoromethylsulfonyl)azanide<sep>5.34<sep><iupac>lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone<sep>4.27<sep><iupac>lithium;nitrate<sep>2.24<formulation_end>","<formulation_start><inchi>InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2<sep>62.68<sep><inchi>InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H3<sep>19.35<sep><inchi>InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3<sep>6.12<sep><inchi>InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+1<sep>5.34<sep><inchi>InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+1<sep>4.27<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.24<formulation_end>",<formulation_start><selfies>[C][C][O][C][O][C][Ring1][=Branch1]<sep>62.68<sep><selfies>[C][O][C][C][O][C][C][O][C][C][O][C][C][O][C]<sep>19.35<sep><selfies>[C][C][O][C][C][O][C][C][O][C][Branch1][C][C][=O]<sep>6.12<sep><selfies>[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]<sep>5.34<sep><selfies>[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]<sep>4.27<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.24<formulation_end>
8,<formulation_start>COCCC#N<sep>56.0<sep>CCOC(=O)OCC=C<sep>42.0<sep>O=C1N(C)CCCN1C<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,67.7079,<formulation_start><smiles>COCCC#N<sep>56.0<sep><smiles>C=CCOC(=O)OCC<sep>42.0<sep><smiles>CN1CCCN(C)C1=O<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>56.0<sep><formula>C6H10O3<sep>42.0<sep><formula>C6H12N2O<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,"<formulation_start><iupac>3-methoxypropanenitrile<sep>56.0<sep><iupac>ethyl prop-2-enyl carbonate<sep>42.0<sep><iupac>1,3-dimethyl-1,3-diazinan-2-one<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>","<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>56.0<sep><inchi>InChI=1S/C6H10O3/c1-3-5-9-6(7)8-4-2/h3H,1,4-5H2,2H3<sep>42.0<sep><inchi>InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>56.0<sep><selfies>[C][=C][C][O][C][=Branch1][C][=O][O][C][C]<sep>42.0<sep><selfies>[C][N][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=O]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end>
54,<formulation_start>COCCC#N<sep>56.0<sep>N#CCCCCC#N<sep>42.0<sep>C1CCC(=O)OCC1<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,0.0,<formulation_start><smiles>COCCC#N<sep>56.0<sep><smiles>N#CCCCCC#N<sep>42.0<sep><smiles>O=C1CCCCCO1<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>56.0<sep><formula>C6H8N2<sep>42.0<sep><formula>C6H10O2<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,<formulation_start><iupac>3-methoxypropanenitrile<sep>56.0<sep><iupac>hexanedinitrile<sep>42.0<sep><iupac>oxepan-2-one<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>,"<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>56.0<sep><inchi>InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2<sep>42.0<sep><inchi>InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>56.0<sep><selfies>[N][#C][C][C][C][C][C][#N]<sep>42.0<sep><selfies>[O][=C][C][C][C][C][C][O][Ring1][#Branch1]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end>
43,<formulation_start>COCCC#N<sep>56.0<sep>CO<sep>42.0<sep>C1CCC(=O)OCC1<sep>0.0<sep>[Li+].[N+](=O)([O-])[O-]<sep>2.0<formulation_end>,0.0,<formulation_start><smiles>COCCC#N<sep>56.0<sep><smiles>CO<sep>42.0<sep><smiles>O=C1CCCCCO1<sep>0.0<sep><smiles>O=[N+]([O-])[O-].[Li+]<sep>2.0<formulation_end>,<formulation_start><formula>C4H7NO<sep>56.0<sep><formula>CH4O<sep>42.0<sep><formula>C6H10O2<sep>0.0<sep><formula>LiNO3<sep>2.0<formulation_end>,<formulation_start><iupac>3-methoxypropanenitrile<sep>56.0<sep><iupac>methanol<sep>42.0<sep><iupac>oxepan-2-one<sep>0.0<sep><iupac>lithium;nitrate<sep>2.0<formulation_end>,"<formulation_start><inchi>InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3<sep>56.0<sep><inchi>InChI=1S/CH4O/c1-2/h2H,1H3<sep>42.0<sep><inchi>InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2<sep>0.0<sep><inchi>InChI=1S/Li.NO3/c;2-1(3)4/q+1;-1<sep>2.0<formulation_end>",<formulation_start><selfies>[C][O][C][C][C][#N]<sep>56.0<sep><selfies>[C][O]<sep>42.0<sep><selfies>[O][=C][C][C][C][C][C][O][Ring1][#Branch1]<sep>0.0<sep><selfies>[O][=N+1][Branch1][C][O-1][O-1].[Li+1]<sep>2.0<formulation_end>