Unnamed: 0,FORMULATION,Specific Capacity,FORMULATION_CANONICAL_SMILES,FORMULATION_MOLECULAR_FORMULA,FORMULATION_IUPAC_NAME,FORMULATION_INCHI,FORMULATION_SELFIES 3,COCCC#N52.0COCCOC46.0O=C1N(C)CCCN1C0.0[Li+].[N+](=O)([O-])[O-]2.0,124.5438462,COCCC#N52.0COCCOC46.0CN1CCCN(C)C1=O0.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO52.0C4H10O246.0C6H12N2O0.0LiNO32.0,"3-methoxypropanenitrile52.01,2-dimethoxyethane46.01,3-dimethyl-1,3-diazinan-2-one0.0lithium;nitrate2.0","InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H352.0InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H346.0InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H30.0InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.0",[C][O][C][C][C][#N]52.0[C][O][C][C][O][C]46.0[C][N][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=O]0.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 16,COCCC#N56.0CCOC=O42.0C1=CC=NC=C10.0[Li+].[N+](=O)([O-])[O-]2.0,101.017,COCCC#N56.0CCOC=O42.0c1ccncc10.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO56.0C3H6O242.0C5H5N0.0LiNO32.0,3-methoxypropanenitrile56.0ethyl formate42.0pyridine0.0lithium;nitrate2.0,"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H356.0InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H342.0InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H0.0InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.0",[C][O][C][C][C][#N]56.0[C][C][O][C][=O]42.0[C][=C][C][=N][C][=C][Ring1][=Branch1]0.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 45,COCCC#N56.0C1=CC=C(C=C1)COC(=O)OC2=CC=CC=C242.0C1CCC(=O)OCC10.0[Li+].[N+](=O)([O-])[O-]2.0,0.0,COCCC#N56.0O=C(OCc1ccccc1)Oc1ccccc142.0O=C1CCCCCO10.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO56.0C14H12O342.0C6H10O20.0LiNO32.0,3-methoxypropanenitrile56.0benzyl phenyl carbonate42.0oxepan-2-one0.0lithium;nitrate2.0,"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H356.0InChI=1S/C14H12O3/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H242.0InChI=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[O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]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 24,COCCC#N56.0CC(C)(C)C#N42.0O1CCOC10.0[Li+].[N+](=O)([O-])[O-]2.0,109.7,COCCC#N56.0CC(C)(C)C#N42.0C1COCO10.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO56.0C5H9N42.0C3H6O20.0LiNO32.0,"3-methoxypropanenitrile56.02,2-dimethylpropanenitrile42.01,3-dioxolane0.0lithium;nitrate2.0","InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H356.0InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H342.0InChI=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][Branch1][C][C][Branch1][C][C][C][#N]42.0[C][C][O][C][O][Ring1][Branch1]0.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 92,C1COCO173.27COCCOCCOCCOCCOC16.77[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F4.48[Li+].[N+](=O)([O-])[O-]1.9[Li+].O=C1O[B-]2(OC1=O)OC(=O)C(=O)O23.58,90.0,C1COCO173.27COCCOCCOCCOCCOC16.77[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F4.48O=[N+]([O-])[O-].[Li+]1.9O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+]3.58,C3H6O273.27C10H22O516.77C2F6LiNO4S24.48LiNO31.9C4BLiO83.58,"1,3-dioxolane73.271-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane16.77lithium;bis(trifluoromethylsulfonyl)azanide4.48lithium;nitrate1.9lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone3.58","InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H273.27InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H316.77InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+14.48InChI=1S/Li.NO3/c;2-1(3)4/q+1;-11.9InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+13.58",[C][C][O][C][O][Ring1][Branch1]73.27[C][O][C][C][O][C][C][O][C][C][O][C][C][O][C]16.77[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]4.48[O][=N+1][Branch1][C][O-1][O-1].[Li+1]1.9[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]3.58 90,COCCOCCOCCOCCOC30.41O=C(OCC)OCC54.16[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F6.97[Li+].O=C1O[B-]2(OC1=O)OC(=O)C(=O)O25.55[Li+].[N+](=O)([O-])[O-]2.91,0.0,COCCOCCOCCOCCOC30.41CCOC(=O)OCC54.16[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F6.97O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+]5.55O=[N+]([O-])[O-].[Li+]2.91,C10H22O530.41C5H10O354.16C2F6LiNO4S26.97C4BLiO85.55LiNO32.91,"1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane30.41diethyl carbonate54.16lithium;bis(trifluoromethylsulfonyl)azanide6.97lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone5.55lithium;nitrate2.91","InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H330.41InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H354.16InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+16.97InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+15.55InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.91",[C][O][C][C][O][C][C][O][C][C][O][C][C][O][C]30.41[C][C][O][C][=Branch1][C][=O][O][C][C]54.16[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]6.97[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]5.55[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.91 7,COCCC#N47.0COCCOC41.0O=C1N(C)CCCN1C10.0[Li+].[N+](=O)([O-])[O-]2.0,87.04237,COCCC#N47.0COCCOC41.0CN1CCCN(C)C1=O10.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO47.0C4H10O241.0C6H12N2O10.0LiNO32.0,"3-methoxypropanenitrile47.01,2-dimethoxyethane41.01,3-dimethyl-1,3-diazinan-2-one10.0lithium;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/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H310.0InChI=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][N][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=O]10.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 26,COCCC#N56.0CCOC=O42.0CS(=O)C0.0[Li+].[N+](=O)([O-])[O-]2.0,88.08,COCCC#N56.0CCOC=O42.0CS(C)=O0.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO56.0C3H6O242.0C2H6OS0.0LiNO32.0,3-methoxypropanenitrile56.0ethyl formate42.0methylsulfinylmethane0.0lithium;nitrate2.0,"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H356.0InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H342.0InChI=1S/C2H6OS/c1-4(2)3/h1-2H30.0InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.0",[C][O][C][C][C][#N]56.0[C][C][O][C][=O]42.0[C][S][Branch1][C][C][=O]0.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 2,COCCC#N56.0C1=CC=C(C=C1)OCC#N42.0O=C1N(C)CCCN1C0.0[Li+].[N+](=O)([O-])[O-]2.0,48.07410714,COCCC#N56.0N#CCOc1ccccc142.0CN1CCCN(C)C1=O0.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO56.0C8H7NO42.0C6H12N2O0.0LiNO32.0,"3-methoxypropanenitrile56.02-phenoxyacetonitrile42.01,3-dimethyl-1,3-diazinan-2-one0.0lithium;nitrate2.0","InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H356.0InChI=1S/C8H7NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H242.0InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H30.0InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.0",[C][O][C][C][C][#N]56.0[N][#C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]42.0[C][N][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=O]0.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 99,C1COCOC162.68COCCOCCOCCOCCOC19.35CCOCCOCCOC(=O)C6.12[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F5.34[Li+].O=C1O[B-]2(OC1=O)OC(=O)C(=O)O24.27[Li+].[N+](=O)([O-])[O-]2.24,35.0,C1COCOC162.68COCCOCCOCCOCCOC19.35CCOCCOCCOC(C)=O6.12[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F5.34O=C1O[B-]2(OC1=O)OC(=O)C(=O)O2.[Li+]4.27O=[N+]([O-])[O-].[Li+]2.24,C4H8O262.68C10H22O519.35C8H16O46.12C2F6LiNO4S25.34C4BLiO84.27LiNO32.24,"1,3-dioxane62.681-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane19.352-(2-ethoxyethoxy)ethyl acetate6.12lithium;bis(trifluoromethylsulfonyl)azanide5.34lithium;1,4,6,9-tetraoxa-5-boranuidaspiro[4.4]nonane-2,3,7,8-tetrone4.27lithium;nitrate2.24","InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H262.68InChI=1S/C10H22O5/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2/h3-10H2,1-2H319.35InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H36.12InChI=1S/C2F6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q-1;+15.34InChI=1S/C4BO8.Li/c6-1-2(7)11-5(10-1)12-3(8)4(9)13-5;/q-1;+14.27InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.24",[C][C][O][C][O][C][Ring1][=Branch1]62.68[C][O][C][C][O][C][C][O][C][C][O][C][C][O][C]19.35[C][C][O][C][C][O][C][C][O][C][Branch1][C][C][=O]6.12[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]5.34[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]4.27[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.24 8,COCCC#N56.0CCOC(=O)OCC=C42.0O=C1N(C)CCCN1C0.0[Li+].[N+](=O)([O-])[O-]2.0,67.7079,COCCC#N56.0C=CCOC(=O)OCC42.0CN1CCCN(C)C1=O0.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO56.0C6H10O342.0C6H12N2O0.0LiNO32.0,"3-methoxypropanenitrile56.0ethyl prop-2-enyl carbonate42.01,3-dimethyl-1,3-diazinan-2-one0.0lithium;nitrate2.0","InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H356.0InChI=1S/C6H10O3/c1-3-5-9-6(7)8-4-2/h3H,1,4-5H2,2H342.0InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H30.0InChI=1S/Li.NO3/c;2-1(3)4/q+1;-12.0",[C][O][C][C][C][#N]56.0[C][=C][C][O][C][=Branch1][C][=O][O][C][C]42.0[C][N][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=O]0.0[O][=N+1][Branch1][C][O-1][O-1].[Li+1]2.0 54,COCCC#N56.0N#CCCCCC#N42.0C1CCC(=O)OCC10.0[Li+].[N+](=O)([O-])[O-]2.0,0.0,COCCC#N56.0N#CCCCCC#N42.0O=C1CCCCCO10.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO56.0C6H8N242.0C6H10O20.0LiNO32.0,3-methoxypropanenitrile56.0hexanedinitrile42.0oxepan-2-one0.0lithium;nitrate2.0,"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H356.0InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H242.0InChI=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[N][#C][C][C][C][C][C][#N]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 43,COCCC#N56.0CO42.0C1CCC(=O)OCC10.0[Li+].[N+](=O)([O-])[O-]2.0,0.0,COCCC#N56.0CO42.0O=C1CCCCCO10.0O=[N+]([O-])[O-].[Li+]2.0,C4H7NO56.0CH4O42.0C6H10O20.0LiNO32.0,3-methoxypropanenitrile56.0methanol42.0oxepan-2-one0.0lithium;nitrate2.0,"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H356.0InChI=1S/CH4O/c1-2/h2H,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][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