CompName
stringlengths 3
64
| SMILES
stringlengths 1
590
⌀ | Property
stringclasses 18
values | Value
float64 -268.93
426k
| unit
stringclasses 13
values | Source
stringclasses 1
value |
|---|---|---|---|---|---|
unknown | CC(C)C(C(=O)O)N | Melting temperature | 315 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O | Density | 1.799 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O | Melting temperature | 316 | [oC] | Wikipedia/Wikidata |
unknown | [O-]Cl(=O)=O.[O-]Cl(=O)=O.[Ca+2] | Melting temperature | 325 | [oC] | Wikipedia/Wikidata |
unknown | C1=CC(=CC=C1CC(C(=O)O)N)O | Density | 1.456 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=CC(=CC=C1CC(C(=O)O)N)O | Melting temperature | 343 | [oC] | Wikipedia/Wikidata |
unknown | F[Sb-](F)(F)(F)(F)F.[Na+] | Density | 3.38 | [g/cm3] | Wikipedia/Wikidata |
unknown | F[Sb-](F)(F)(F)(F)F.[Na+] | Melting temperature | 350 | [oC] | Wikipedia/Wikidata |
unknown | [Na+].[SH-] | Density | 1.79 | [g/cm3] | Wikipedia/Wikidata |
unknown | [Na+].[SH-] | Melting temperature | 350 | [oC] | Wikipedia/Wikidata |
unknown | CN1C=NC2=C1C(=O)NC(=O)N2C | Melting temperature | 351 | [oC] | Wikipedia/Wikidata |
unknown | C1=NC2=C(N1)C(=NC=N2)N | Density | 1.6 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=NC2=C(N1)C(=NC=N2)N | Melting temperature | 360 | [oC] | Wikipedia/Wikidata |
unknown | [O-]S(=O)(=O)OS(=O)(=O)[O-].[Na+].[Na+] | Density | 2.658 | [g/cm3] | Wikipedia/Wikidata |
unknown | [O-]S(=O)(=O)OS(=O)(=O)[O-].[Na+].[Na+] | Melting temperature | 400.9 | [oC] | Wikipedia/Wikidata |
unknown | I[Pb]I | Melting temperature | 412 | [oC] | Wikipedia/Wikidata |
unknown | C1CC2(CC(=O)C3=CC=CC=C3O2)CN(C1)CCN4CC=CC4C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F | Melting temperature | 473 | [oC] | Wikipedia/Wikidata |
unknown | [O-][As]=O.[Na+] | Density | 1.87 | [g/cm3] | Wikipedia/Wikidata |
unknown | [O-][As]=O.[Na+] | Melting temperature | 550 | [oC] | Wikipedia/Wikidata |
unknown | [O-][As](=O)=O.[Na+] | Melting temperature | 605 | [oC] | Wikipedia/Wikidata |
unknown | [SbH3+3].[SbH3+3].[TeH2-2].[TeH2-2].[TeH2-2] | Density | 6.5 | [g/cm3] | Wikipedia/Wikidata |
unknown | [SbH3+3].[SbH3+3].[TeH2-2].[TeH2-2].[TeH2-2] | Melting temperature | 620 | [oC] | Wikipedia/Wikidata |
unknown | F[Ge-2](F)(F)(F)(F)F.[Na+].[Na+] | Density | 3.055 | [g/cm3] | Wikipedia/Wikidata |
unknown | F[Ge-2](F)(F)(F)(F)F.[Na+].[Na+] | Melting temperature | 623 | [oC] | Wikipedia/Wikidata |
unknown | O=[Te]=O | Melting temperature | 733 | [oC] | Wikipedia/Wikidata |
unknown | [O-][Cr](=O)(=O)[O-].[Pb+2] | Refractive index | 2.3 | [-] | Wikipedia/Wikidata |
unknown | [O-][Cr](=O)(=O)[O-].[Pb+2] | Density | 6.126 | [g/cm3] | Wikipedia/Wikidata |
unknown | [O-][Cr](=O)(=O)[O-].[Pb+2] | Melting temperature | 844 | [oC] | Wikipedia/Wikidata |
unknown | [O-][V](=O)([O-])[O-].[Na+].[Na+].[Na+] | Melting temperature | 866 | [oC] | Wikipedia/Wikidata |
unknown | C(=O)([O-])[O-].[K+].[K+] | Density | 2.29 | [g/cm3] | Wikipedia/Wikidata |
unknown | C(=O)([O-])[O-].[K+].[K+] | Melting temperature | 891 | [oC] | Wikipedia/Wikidata |
unknown | [Te]=[Pb] | Density | 8.163 | [g/cm3] | Wikipedia/Wikidata |
unknown | [Te]=[Pb] | Melting temperature | 924 | [oC] | Wikipedia/Wikidata |
unknown | [Na+].[Ge] | Density | 3.14 | [g/cm3] | Wikipedia/Wikidata |
unknown | [Na+].[Ge] | Melting temperature | 1,060 | [oC] | Wikipedia/Wikidata |
unknown | [P-3].[P-3].[Mn+2].[Mn+2].[Mn+2] | Density | 5.12 | [g/cm3] | Wikipedia/Wikidata |
unknown | [P-3].[P-3].[Mn+2].[Mn+2].[Mn+2] | Melting temperature | 1,095 | [oC] | Wikipedia/Wikidata |
unknown | [O-]P(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+] | Melting temperature | 1,104 | [oC] | Wikipedia/Wikidata |
unknown | [S-2].[S-2].[S-2].[Ga+3].[Ga+3] | Melting temperature | 1,125 | [oC] | Wikipedia/Wikidata |
unknown | O=S1(=O)O[Pb]O1 | Density | 6.29 | [g/cm3] | Wikipedia/Wikidata |
unknown | O=S1(=O)O[Pb]O1 | Melting temperature | 1,170 | [oC] | Wikipedia/Wikidata |
unknown | [Na+].[Na+].[SH-] | Density | 1.856 | [g/cm3] | Wikipedia/Wikidata |
unknown | [Na+].[Na+].[SH-] | Melting temperature | 1,176 | [oC] | Wikipedia/Wikidata |
unknown | S=[Zn] | Density | 4.09 | [g/cm3] | Wikipedia/Wikidata |
unknown | S=[Zn] | Melting temperature | 1,185 | [oC] | Wikipedia/Wikidata |
unknown | [Ga]#[As] | Melting temperature | 1,240 | [oC] | Wikipedia/Wikidata |
unknown | [Li+].[Li+].[O-2].[O-2].[O-2].[Ti+4] | Density | 3.4 | [g/cm3] | Wikipedia/Wikidata |
unknown | [Li+].[Li+].[O-2].[O-2].[O-2].[Ti+4] | Melting temperature | 1,325 | [oC] | Wikipedia/Wikidata |
unknown | Cl[V]Cl | Melting temperature | 1,350 | [oC] | Wikipedia/Wikidata |
unknown | O=[Fe] | Density | 6 | [g/cm3] | Wikipedia/Wikidata |
unknown | O=[Fe] | Melting temperature | 1,377 | [oC] | Wikipedia/Wikidata |
unknown | [O-]P(=O)([O-])OP(=O)([O-])[O-].[Mg+2].[Mg+2] | Density | 2.56 | [g/cm3] | Wikipedia/Wikidata |
unknown | [O-]P(=O)([O-])OP(=O)([O-])[O-].[Mg+2].[Mg+2] | Melting enthalpy | 134 | [kJJ/mol] | Wikipedia/Wikidata |
unknown | [O-]P(=O)([O-])OP(=O)([O-])[O-].[Mg+2].[Mg+2] | Melting temperature | 1,395 | [oC] | Wikipedia/Wikidata |
unknown | [Li+].[Li+].[O-2] | Melting temperature | 1,570 | [oC] | Wikipedia/Wikidata |
unknown | O=[Al-]=O.[Na+] | Density | 2.693 | [g/cm3] | Wikipedia/Wikidata |
unknown | O=[Al-]=O.[Na+] | Melting temperature | 1,650 | [oC] | Wikipedia/Wikidata |
unknown | O=[Ni] | Melting temperature | 1,682 | [oC] | Wikipedia/Wikidata |
unknown | [O-2].[O-2].[O-][Si](=O)[O-].[Al+3].[Al+3] | Density | 3.23 | [g/cm3] | Wikipedia/Wikidata |
unknown | [O-2].[O-2].[O-][Si](=O)[O-].[Al+3].[Al+3] | Melting temperature | 1,860 | [oC] | Wikipedia/Wikidata |
unknown | [S-2].[S-2].[S-2].[Y+3].[Y+3] | Melting temperature | 1,925 | [oC] | Wikipedia/Wikidata |
unknown | Cl[Nb](Cl)(Cl)(Cl)Cl | Melting temperature | 2,047 | [oC] | Wikipedia/Wikidata |
unknown | [O-][Ti](=O)[O-].[Sr+2] | Density | 4.81 | [g/cm3] | Wikipedia/Wikidata |
unknown | [O-][Ti](=O)[O-].[Sr+2] | Melting temperature | 2,060 | [oC] | Wikipedia/Wikidata |
unknown | [Al+3].[Al+3].[Al+3].[Al+3].[C-4].[C-4].[C-4] | Melting temperature | 2,100 | [oC] | Wikipedia/Wikidata |
unknown | [C-]#[C-].[Ca+2] | Density | 2.22 | [g/cm3] | Wikipedia/Wikidata |
unknown | [C-]#[C-].[Ca+2] | Melting temperature | 2,300 | [oC] | Wikipedia/Wikidata |
unknown | N#[Ti] | Density | 5.44 | [g/cm3] | Wikipedia/Wikidata |
unknown | N#[Ti] | Melting temperature | 2,930 | [oC] | Wikipedia/Wikidata |
unknown | O[Te](O)(O)(O)(O)O | Melting temperature | 13,658 | [oC] | Wikipedia/Wikidata |
unknown | C12=C(NC(=O)N1)NC(=O)NC2=O | Density | 1.89 | [g/cm3] | Wikipedia/Wikidata |
unknown | [OH-].[OH-].[Sr+2] | Density | 3.63 | [g/cm3] | Wikipedia/Wikidata |
unknown | CSCCC(C(=O)O)N | Density | 1.34 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] | Density | 1.6 | [g/cm3] | Wikipedia/Wikidata |
unknown | F[P-](F)(F)(F)(F)F.[Na+] | Density | 2.51 | [g/cm3] | Wikipedia/Wikidata |
unknown | CCC(CC)C(=O)O | Refractive index | 1.4133 | [-] | Wikipedia/Wikidata |
unknown | [O-]S(=O)[O-].[Na+].[Na+] | Density | 2.63 | [g/cm3] | Wikipedia/Wikidata |
unknown | [C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[Fe-4].[Na+].[Na+].[Na+].[Na+] | Density | 1.458 | [g/cm3] | Wikipedia/Wikidata |
unknown | CCOS(=O)(=O)OCC | Refractive index | 1.4025 | [-] | Wikipedia/Wikidata |
unknown | CCOS(=O)(=O)OCC | Density | 1.1842 | [g/cm3] | Wikipedia/Wikidata |
unknown | CCN(CC)C(=O)C1=CN=CC=C1 | Density | 1.06 | [g/cm3] | Wikipedia/Wikidata |
unknown | C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23 | Density | 1.65 | [g/cm3] | Wikipedia/Wikidata |
unknown | CC1=CC=CC=C1C2=C(N(N(C2=O)C(C)C)C(=O)SCC=C)N | Density | 1.227 | [g/cm3] | Wikipedia/Wikidata |
unknown | [O-]P1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] | Density | 2.484 | [g/cm3] | Wikipedia/Wikidata |
unknown | CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=[U+2]=O.[Na+] | Refractive index | 1.5014 | [-] | Wikipedia/Wikidata |
unknown | CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=[U+2]=O.[Na+] | Density | 2.55 | [g/cm3] | Wikipedia/Wikidata |
unknown | [Cd] | Density | 8.65 | [g/cm3] | Wikipedia/Wikidata |
unknown | CC(C(=O)O)O | Density | 1.225 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O | Refractive index | 1.5805 | [-] | Wikipedia/Wikidata |
unknown | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O | Density | 1.1799 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-] | Density | 1.22 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O | Density | 1.494 | [g/cm3] | Wikipedia/Wikidata |
unknown | C1C(C(CN(C2=NC(=NC12)NCCCC(C(=O)O[H])N)CCCCC(C(=O)O[H])N)O[H])O[H] | Density | 1.6 | [g/cm3] | Wikipedia/Wikidata |
unknown | CC(=O)OCC=CC1=CC=CC=C1 | Refractive index | 1.5271 | [-] | Wikipedia/Wikidata |
unknown | [GeH2](Br)Br | Density | 2.8 | [g/cm3] | Wikipedia/Wikidata |
unknown | [Na][As]([Na])[Na] | Density | 2.36 | [g/cm3] | Wikipedia/Wikidata |
unknown | [S] | Density | 2 | [g/cm3] | Wikipedia/Wikidata |
unknown | [N+](=O)([O-])O[Pb]O[N+](=O)[O-] | Refractive index | 1.782 | [-] | Wikipedia/Wikidata |
unknown | Cl[Fe]Cl | Density | 1.93 | [g/cm3] | Wikipedia/Wikidata |
unknown | [C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[Fe-3].[K+].[K+].[K+] | Density | 1.845 | [g/cm3] | Wikipedia/Wikidata |