smiles
stringlengths 1
419
| filename
stringlengths 6
10
| image
imagewidth (px) 128
128
|
|---|---|---|
C1CCN2C(C1)CCC(=C2)c1ccccc1
|
C5026.png
| |
CC(C)CC1(C)OCC(CO)O1
|
A-4998.png
| |
OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)(C)C
|
C2646.png
| |
[Na+].[Na+].[Na+].[Na+].Nc1ccc(cc1[S]([O-])(=O)=O)N=Nc2ccc(N=Nc3ccc(N\N=C/4C(=O)c5ccc(NC(=O)c6ccccc6)cc5C=C4[S]([O-])(=O)=O)c7ccc(cc37)[S]([O-])(=O)=O)c8ccc(cc28)[S]([O-])(=O)=O
|
A-3730.png
| |
Clc1ccc2Oc3ccc(Cl)cc3Oc2c1
|
B-2856.png
| |
CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2O
|
C-1916.png
| |
[Na+].[Na+].[Na+].[Na+].[O-][S](=O)(=O)OCC[S](=O)(=O)c1ccc2c(ccc(N\N=C/3C(=O)c4c(NC(=O)c5ccccc5)cc(cc4C=C3[S]([O-])(=O)=O)[S]([O-])(=O)=O)c2[S]([O-])(=O)=O)c1
|
A-3769.png
| |
ClC1=CC=C(OC2=CC(=C(Cl)C(=C2)Cl)Cl)C(=C1)Cl
|
C-2247.png
| |
O=C1C=CC(=O)c2c1cccc2
|
C6549.png
| |
ClC(Cl)(Cl)C(Cl)(Cl)Cl
|
C-43.png
| |
NCCCNCCSP(=O)(O)O
|
C9721.png
| |
NC(=O)c1ccccc1I
|
C7428.png
| |
CN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cccc2.Cl.Cl
|
C2655.png
| |
CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)CC.Cl
|
C7139.png
| |
FC1=C(F)C(C1(F)F)(F)F
|
C7326.png
| |
CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC
|
C5826.png
| |
NC(=O)c1cccnc1
|
A-659.png
| |
CC(O)C(Cl)(Cl)Cl
|
B-197.png
| |
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1ccc[n+](c1)c2nc(NCCNc3ccc4N=C5C(=C6Oc7c(ccc(NCCNc8nc(Nc9cc(ccc9[S]([O-])(=O)=O)[S]([O-])(=O)=O)nc(n8)[n+]%10cccc(c%10)C([O-])=O)c7[S]([O-])(=O)=O)N=C6C(=C5Oc4c3[S]([O-])(=O)=O)Cl)Cl)nc(Nc%11cc(ccc%11[S]([O-])(=O)=O)[S]([O-])(=O)=O)n2
|
A-2953.png
| |
CCCCCC(=O)OC1=CC=C(NC(C)=O)C=C1
|
C-1901.png
| |
CC1CCOC1
|
A-4484.png
| |
CCN(CCC#N)c1ccc(cc1)N=Nc2c(Br)cc(cc2Br)[N+]([O-])=O
|
A-2487.png
| |
O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl
|
C465.png
| |
Cl[S](=O)(=O)c1ccc(I)cc1
|
B-420.png
| |
CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N)/c1ccco1
|
C4889.png
| |
CSC(=[N+]1CCCCC1)c1c[nH]c2c1cccc2.[I-]
|
C7255.png
| |
CC[N+](CC)(CC)CC.[OH-]
|
C9214.png
| |
CCOC1=C2OC3C(O)C=CC4C5CC(=C2C43CCN5C)C=C1
|
F-963.png
| |
[Zn++].[Br-].[Br-]
|
A-3629.png
| |
CN(CC(CN1c2ccccc2CCc2c1cccc2)C)C
|
C3259.png
| |
C/C=C/CSC(C(=O)NC)(C)C
|
C6488.png
| |
OCC[N+]([O-])=O
|
B-1392.png
| |
Clc1cc(Cl)c(cc1c1ccccc1)Cl
|
C125.png
| |
[Ru+3].[Ru+3].[Ru+3].CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O
|
A-3326.png
| |
Brc1cnc(c(c1)Br)OCCCCCCNCCSS(=O)(=O)O
|
C3481.png
| |
[Na+].[Na+].[Na+].[Na+].OCCN(CCO)c1nc(Nc2ccc(cc2)[S]([O-])(=O)=O)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccc(cc6)[S]([O-])(=O)=O)nc(n5)N(CCO)CCO)c(c4)[S]([O-])(=O)=O)cc3[S]([O-])(=O)=O)n1
|
A-827.png
| |
CC1CCC2=CC(=CC3=C2N1C=C(C(O)=O)C3=O)F
|
C-2201.png
| |
NCCCNC(CSS(=O)(=O)O)C.Cl
|
C9602.png
| |
CC(=O)CCc1ccccc1
|
C7609.png
| |
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N)C[C@@H]([C@H]2O)NC)[C@@H]2[C@H]([C@H]1O)O[C@@]1(O2)O[C@H]([C@@H](CO)N)[C@@H]([C@@H]([C@H]1O)O)O
|
C9306.png
| |
CN1CC2CCC(C1)N2CCOC(=O)c1ccc(cc1)N
|
C7944.png
| |
CCCCCCCCC(=O)NNC(=O)C1=CC=NC=C1
|
C-1902.png
| |
CCNC(C(C)(C)C)(C)C.Cl
|
C7227.png
| |
ClCCN(C(=O)N[C@@H]1CCCC[C@H]1OC(=O)C)N=O
|
C5601.png
| |
CC(C)CC(C(=O)O)N(CCC#N)CCC#N
|
F-141.png
| |
C[C@H](C(C)(C)C)O
|
C1468.png
| |
CC(Cc1ccc(cc1)O)N.Br
|
C9123.png
| |
CCCCc1cc2ccccc2c(n1)OCCN(C)C.Cl
|
C4175.png
| |
CC1N(CCOC1c1ccccc1)Cc1c(=O)n(n(c1C)C)c1ccccc1
|
C4761.png
| |
C1C(=O)C=C2C(C)=CC3C4CCC(C(=O)C)(OC(=O)C)C4(C)CCC3C2(C)C1
|
E-731.png
| |
C\C=C(/C)C(=O)OCCC(C)CCC=C(C)C
|
A-2142.png
| |
Oc1ccc(cc1[N+]([O-])=O)c2ccccc2
|
B-4530.png
| |
O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C
|
C2895.png
| |
OC(COc1c(ccc(c1C(=O)OC(C)C)C)C(C)C)CNC(C)C
|
C3728.png
| |
CS(=O)(=O)O.CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2
|
C2270.png
| |
CC(C)OCCO
|
A-5387.png
| |
CN(C(=O)C(c1ccccc1)c1ccccc1)C
|
C729.png
| |
Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C
|
C244.png
| |
CCO[P](=S)(OCC)SC[S](=O)C(C)(C)C
|
B-2365.png
| |
CO[P]1(=S)OCc2ccccc2O1
|
B-4238.png
| |
COc1cc2c(cc1OC)CC[NH+](C2C(Cc1ccc(cc1)Cl)C)C.[Br-]
|
C2764.png
| |
S=C1SCN(CN1Cc1ccccc1)Cc1ccccc1
|
C2941.png
| |
ClC(COP(=O)(O)O)(Cl)Cl
|
C7355.png
| |
CCC(OC(=O)c1ccccc1)(CN(C)C)CN(C)C.Cl
|
C7036.png
| |
O[C@@H](C=O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
|
B-2755.png
| |
OC(=O)Cc1cc(O)ccc1O
|
B-946.png
| |
COC(=O)CC(=O)OC
|
A-5155.png
| |
OC(c1ccccc1)(c1ccccc1)CCN1CCCCC1.Cl
|
C4151.png
| |
OC(=O)/C=C\C(=O)O.OC(=O)/C=C\C(=O)O.CCSc1ccc2c(c1)N(CCCN1CCN(CC1)C)c1c(S2)cccc1
|
C2042.png
| |
CCC1(CC=C)C(=O)NC(=O)NC1=O
|
C-128.png
| |
CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C
|
G-1141.png
| |
Oc1ccc2c(c1)[C@]13CCCC[C@H]3[C@@H](C2)N(CC1)CCc1ccc(cc1)c1ccccc1.Cl
|
C2089.png
| |
CCC(=O)N1C(=O)NC=C(F)C1=O
|
C-1190.png
| |
CCCCCC1CCC(CC1)c2ccc(CCC)cc2
|
A-6070.png
| |
COC1=C2OC=CC2=C(CN)C2=C1OC(=O)C=C2
|
F-807.png
| |
[O-][N+](=O)c1ccc(s1)/C=C/c1scc(n1)CN1CCOCC1.Cl
|
C5658.png
| |
COc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C
|
C411.png
| |
OCCNC(Cc1cccc(c1)C(F)(F)F)C
|
C7304.png
| |
CCOC(=O)c1cnn(C)c1[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2
|
B-3339.png
| |
CC(C)(C)Cc1ccccc1
|
G-1107.png
| |
Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
|
A-2087.png
| |
CN(CCC(c1ccccc1)(C(=O)N)CCN(C)C)C
|
C7267.png
| |
CN[C@H]([C@@H](c1ccccc1)OC(=O)C)C
|
C8019.png
| |
OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)NC(=O)N(N=O)C
|
C7532.png
| |
C[Si](C)(O[Si](C)(C)C=C)C=C
|
A-2180.png
| |
[Na+].[Na+].[Na+].CCN(c1ccccc1)c2nc(Cl)nc(Nc3cc(cc4C=C(\C(=N/Nc5ccc(C)cc5[S]([O-])(=O)=O)C(=O)c34)[S]([O-])(=O)=O)[S]([O-])(=O)=O)n2
|
A-4415.png
| |
O=C(c1ccccc1O)/C=C/c1ccccc1
|
C4657.png
| |
O=C1CC2C(C1(C)CC2)(C)C
|
C7170.png
| |
Clc1cccc(c1)c2cc(Cl)c(Cl)cc2Cl
|
B-3191.png
| |
CCC(=O)C(c1ccccc1)(c1ccccc1)[C@@H](CN(C)C)C.Cl
|
C4086.png
| |
COC1=CC2=C(C=C1OC)C34CCN5CC6=CCOC7CC(=O)N2C3C7C6CC45
|
C-2376.png
| |
OC(C(Cl)(Cl)Cl)c1ccccc1
|
C5918.png
| |
NCCNCCN
|
B-623.png
| |
Nc1ncc2nccnc2n1
|
B-1479.png
| |
ClCCN(c1cc(ccc1C)C(=O)O)CCCl
|
C3322.png
| |
O=C(C1CCCCC1)c2ccccc2
|
A-1550.png
| |
[Na+].[Na+].[Na+].[Na+].[Na+].[Cu++].[O-]C(=O)c1cc(ccc1NNC(=N/Nc2cc(cc([N-]c3nc(Cl)nc(n3)N=C4C=C(C(C=C4[S]([O-])(=O)=O)=Nc5nc(Cl)nc(Nc6cccc(c6)[S]([O-])(=O)=O)n5)[S]([O-])(=O)=O)c2[O-])[S]([O-])(=O)=O)\c7ccccc7)[S]([O-])(=O)=O.[H+]
|
A-4105.png
| |
Nc1nccc(n1)/C=C/c1ncc(n1C)[N+](=O)[O-]
|
C6963.png
| |
OCC(=O)[C@H]1CC[C@H]2[C@@]31C[C@H](O[C@@H]3O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
|
C480.png
| |
CNCC(O)C1=CC(O)=C(O)C=C1
|
F-465.png
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.