Source:http://linkedlifedata.com/resource/chembl/compound/canonicalSMILES
| Subject | Object |
|---|---|
| chemicalCompound:695117 |
F
|
| chemicalCompound:308051 |
[F-]
|
| chemicalCompound:426045 |
[F-].[Na+]
|
| chemicalCompound:618164 |
[F-].CCCC[N+](CCCC)(CCCC)CCCC
|
| chemicalCompound:1058772 |
[F-].[K+]
|
| chemicalCompound:694171 |
Cl
|
| chemicalCompound:308052 |
[Cl-]
|
| chemicalCompound:674525 |
[Na+].[Cl-]
|
| chemicalCompound:674682 |
[Cl-].[K+]
|
| chemicalCompound:181856 |
[Li+].[Cl-]
|
| chemicalCompound:674504 |
Cl[Cu]Cl
|
| chemicalCompound:840903 |
Cl.Cl.OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
|
| chemicalCompound:674710 |
Cl.Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl
|
| chemicalCompound:674952 |
Cl.CN(CCCl)CCCl
|
| chemicalCompound:1217580 |
Cl.Cc1cccc(C)c1NC(=O)CN
|
| chemicalCompound:1027418 |
Cl.CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
|
| chemicalCompound:89357 |
Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1Cl
|
| chemicalCompound:754613 |
Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
|
| chemicalCompound:543263 |
Cl.NNc1nncc2ccccc12
|
| chemicalCompound:674903 |
Cl.CN[C@@H](C)Cc1ccccc1
|
| chemicalCompound:543306 |
Cl.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1
|
| chemicalCompound:706089 |
Cl.CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12
|
| chemicalCompound:704758 |
Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
|
| chemicalCompound:545974 |
Cl.CC12CC3CC(C)(C1)CC(N)(C3)C2
|
| chemicalCompound:486806 |
Cl.CN(C)C
|
| chemicalCompound:618094 |
[Cl-].CCCC[N+](CCCC)(CCCC)CCCC
|
| chemicalCompound:583941 |
[Cl-].Nc1ccc2nc3ccc(N)cc3[s+]c2c1
|
| chemicalCompound:1236378 |
[Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)C
|
| chemicalCompound:33341 |
[Cl-].C[N+](C)(C)CCO
|
| chemicalCompound:167875 |
[Cl-].CC[N+](C)(C)c1cccc(O)c1
|
| chemicalCompound:101810 |
[Cl-].[Cl-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
|
| chemicalCompound:693811 |
Br
|
| chemicalCompound:308053 |
[Br-]
|
| chemicalCompound:705878 |
Br.Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O
|
| chemicalCompound:914759 |
Br.Br.NC(=N)SCCc1c[nH]cn1
|
| chemicalCompound:88038 |
[Br-].CCCC[N+](CCCC)(CCCC)CCCC
|
| chemicalCompound:107931 |
[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C
|
| chemicalCompound:851548 |
[Br-].CC(=O)OCC[N+](C)(C)C
|
| chemicalCompound:246954 |
[Br-].CCCCCCCC[N+](C)(C)C
|
| chemicalCompound:195756 |
[Br-].CCCCCCCCCC[N+](C)(C)C
|
| chemicalCompound:182662 |
[Br-].CCCCCCCCCCCC[N+](C)(C)C
|
| chemicalCompound:79557 |
[Br-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
|
| chemicalCompound:1059667 |
[Na+].[Br-]
|
| chemicalCompound:695900 |
I
|
| chemicalCompound:308054 |
[I-]
|
| chemicalCompound:1059668 |
[Na+].[I-]
|
| chemicalCompound:674318 |
[I-].CCOP(=O)(OCC)SCC[N+](C)(C)C
|
| chemicalCompound:62687 |
C
|
| chemicalCompound:293569 |
[Na+].[O-]C(=O)CF
|
| chemicalCompound:674881 |
[Na+].COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C
|
| chemicalCompound:1058776 |
[Na+].[S-]C#N
|
| chemicalCompound:674359 |
[Na+].COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC
|
| chemicalCompound:1078497 |
[Na+].Cc1ccc(cc1)S(=O)(=O)[N-]Cl
|
| chemicalCompound:38588 |
[Na+].CCC#CC(C)C1(CC=C)C(=O)N=C([O-])N(C)C1=O
|
| chemicalCompound:1103972 |
O.[Na+].CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1
|
| chemicalCompound:674367 |
[Na+].CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1
|
| chemicalCompound:178547 |
[Na+].[N-]=[N+]=[N-]
|
| chemicalCompound:983152 |
[Na+].[O-]Cl(=O)=O
|
| chemicalCompound:1058780 |
[K+].[Br-]
|
| chemicalCompound:178545 |
[K+].[I-]
|
| chemicalCompound:693216 |
[Ag+]
|
| chemicalCompound:642358 |
N
|
| chemicalCompound:674690 |
S
|
| chemicalCompound:49038 |
[Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1
|
| chemicalCompound:624125 |
COC(=O)CCC(=O)CN
|
| chemicalCompound:112419 |
[O-]C(=O)c1cccc(c1)[N+]#N
|
| chemicalCompound:1122132 |
[O-]ON=O
|
| chemicalCompound:112420 |
[O-]S(=O)(=O)c1cccc(c1)[N+]#N
|
| chemicalCompound:112460 |
[O-]S(=O)(=O)c1ccc(cc1)[N+]#N
|
| chemicalCompound:348351 |
[N-]=[N+]=[N-]
|
| chemicalCompound:63019 |
CN
|
| chemicalCompound:240352 |
CNO
|
| chemicalCompound:303351 |
F[Al-3](F)(F)(F)(F)F
|
| chemicalCompound:303239 |
F[Fe-3](F)(F)(F)(F)F
|
| chemicalCompound:665311 |
NO
|
| chemicalCompound:627419 |
O
|
| chemicalCompound:13617 |
CO
|
| chemicalCompound:195974 |
[Cl-].CC(=O)OCC[N+](C)(C)C
|
| chemicalCompound:653954 |
CCCCCCCCCCCC[N+](C)(C)C
|
| chemicalCompound:65961 |
C[N+](C)(C)C
|
| chemicalCompound:5467 |
CC[N+](CC)(CC)CC
|
| chemicalCompound:171469 |
CC(O)C[N+](C)(C)C
|
| chemicalCompound:83143 |
C[N+](C)(C)CCO
|
| chemicalCompound:33060 |
C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
|
| chemicalCompound:27812 |
CC(=O)OCC[N+](C)(C)C
|
| chemicalCompound:675292 |
CCOP(=O)(OCC)SCC[N+](C)(C)C
|
| chemicalCompound:68251 |
C[N+](C)(C)CC#CCN1CCCC1=O
|
| chemicalCompound:203048 |
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
|
| chemicalCompound:698546 |
CCCC[N+](CCCC)(CCCC)CCCC
|
| chemicalCompound:657555 |
CCCCCCCCCCCCCCCC[N+](C)(C)C
|
| chemicalCompound:171685 |
CC[N+](C)(C)C
|
| chemicalCompound:654929 |
CCCCCCCC[N+](C)(C)C
|
| chemicalCompound:654251 |
CCCCCCCCCC[N+](C)(C)C
|
| chemicalCompound:673030 |
CC[N+](C)(C)Cc1ccccc1Br
|
| chemicalCompound:227279 |
CC(=O)CCC[N+](C)(C)C
|
| chemicalCompound:151408 |
CC[N+](C)(C)c1cccc(O)c1
|
| chemicalCompound:114108 |
CCCCCCCCCCCCCCCC[n+]1ccccc1
|
| chemicalCompound:247401 |
C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1
|
| chemicalCompound:659062 |
CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC
|
| chemicalCompound:652160 |
Nc1ccc2nc3ccc(N)cc3[s+]c2c1
|