smiles
stringlengths 1
419
| filename
stringlengths 6
10
| image
imagewidth (px) 128
128
|
|---|---|---|
CC1=CC(=NO1)C(=O)NNCC2=CC=CC=C2
|
C-591.png
| |
CC(C)(C)C1CCC(CC1)CC2=C(O)C(=O)C3=C(C=CC=C3)C2=O
|
C-824.png
| |
CC(C)OC(=O)c1ccccc1C(=O)OC(C)C
|
B-3914.png
| |
CCc1ccc2c(c1)cccc2
|
C380.png
| |
Ic1ccccc1c1ccccc1
|
C2740.png
| |
OC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1C(O)=O
|
B-2309.png
| |
Oc1cc(Cl)cc(Cl)c1
|
B-3717.png
| |
COC1=C2OC=CC2=CC2=C1OC(=O)C=C2
|
F-323.png
| |
CCCCC1=CC(N(C(C1)(C)C)C(=O)CN(CC)CC)(C)C
|
C2554.png
| |
COc1cc(CC(C(C)=O)C(C)=O)ccc1O
|
A-3884.png
| |
ClCCN1CCOCC1
|
C9450.png
| |
CC(c1ccccc1C)C
|
C504.png
| |
CC(C)(CO)C(O)C(=O)NCCC(O)=O
|
B-259.png
| |
NC(=S)c1ccccc1
|
C8828.png
| |
N[S](=O)(=O)c1cc2c(NC(Cc3ccccc3)N[S]2(=O)=O)cc1C(F)(F)F
|
B-159.png
| |
OS(=O)(=O)SCCNCCOc1ccccc1
|
C8870.png
| |
Brc1ccc(nc1)OCCCCCCCNCCSS(=O)(=O)O
|
C4481.png
| |
CC1(C)OC(=O)C[C@@H]1C([O-])=O
|
B-260.png
| |
COCCOCCCN1C(=O)c2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2C1=O
|
A-5817.png
| |
Cc1ccc(c(c1)C)C
|
C623.png
| |
ClCC1CO1
|
A-2831.png
| |
Clc1ccc(Cl)c(c1Cl)c2cc(Cl)c(Cl)cc2Cl
|
B-2842.png
| |
CCCCCCCCC(C(O)=O)C(O)=O
|
B-1496.png
| |
CCCCCCOC(=O)c1ccccc1C(=O)c2ccc(cc2O)N(CC)CC
|
A-5849.png
| |
OP(=O)(O)O.OP(=O)(O)O.CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC
|
C8944.png
| |
NC#N
|
A-5217.png
| |
O=C(C1CC1)N(O)C1CCCCC1
|
F-892.png
| |
[O-][N+](=O)c1cc(c(Cl)c(c1)[N+]([O-])=O)[N+]([O-])=O
|
D-1431.png
| |
CC(=O)Nc1ccc(cc1)[S](=O)(=O)c2ccc(N)cc2
|
B-4326.png
| |
Fc1ccc(cc1)N2C(=O)C(=C(Cl)C2=O)Cl
|
B-2880.png
| |
C[C@H](CCC[C@@H](CCCC(C)C)C)CCC/C(=C/CC1=C(C)C(=O)c2c(C1=O)cccc2)/C
|
C1732.png
| |
N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O
|
C7516.png
| |
OC(=O)C(=O)[O-].CCOc1cc2c(cc1OCC)CC[NH+](C2CCc1ccc(cc1)Cl)C
|
C2407.png
| |
CN(CCC1(OC(c2c1cccc2)(C)C)c1ccccc1)C.Cl
|
C3960.png
| |
CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2
|
B-3154.png
| |
CCC(=O)OC1(CCN(CC1C)C)C1CCCCC1.Cl
|
C4109.png
| |
BrC(Br)(Br)Br
|
B-1189.png
| |
CCN(CC)C(=O)COC(=O)C1=CN(CC)C2=C(C=CC(=N2)C)C1=O
|
C-1471.png
| |
Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)cc(Cl)c2Cl
|
B-2941.png
| |
CC(C)OC(=O)CC(C(=O)OC(C)C)[S](=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O
|
C-2405.png
| |
CN1CCN(CC1)CCCOC(=O)N1c2ccccc2Sc2c1nccc2
|
C2733.png
| |
Clc1ccc(Cl)c2cc(Cl)c(Cl)cc12
|
B-3003.png
| |
CC(C)CCl
|
D-1678.png
| |
NC1=CC=CC(=C1)[S](=O)(=O)NC2=NN=C(S2)[S](N)(=O)=O
|
C-2462.png
| |
ON(C(=O)c1occc1)c2ccccc2
|
B-2320.png
| |
CN(C)c1ncc2nccnc2n1
|
B-2877.png
| |
CC[N+](CCCc1ccc(cc1)[N+](CC)(CC)C)(CC)C.[I-].[I-]
|
C9286.png
| |
[K].CCCCCCCCCCCCCCCCCC.O[P](O)(O)=O
|
A-1819.png
| |
[La+3].[La+3].[O-]C([O-])=O.[O-]C([O-])=O.[O-]C([O-])=O
|
A-1963.png
| |
CNC(=O)Oc1ccc(c(c1)C)N(C)C
|
C939.png
| |
OC(c1nc2c([nH]1)cccc2)c1ccccc1
|
C6352.png
| |
C1CCCC(C)C1=O
|
E-797.png
| |
Clc1ccc2c(c1)c(C)cc(n2)OCCCN1CSCC1.Cl
|
C4112.png
| |
COc1ccc([NH2+]CCO)cc1[NH3+].[O-][S]([O-])(=O)=O
|
A-3173.png
| |
CC12CCC3C(CCC4CC(=O)CCC34C)C1CCC2O
|
C-201.png
| |
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C.O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C.[Ca+2]
|
C6043.png
| |
c1ccc2c(c1)oc1c2cccc1
|
C312.png
| |
CCC[N+](CCC1CC[N+](CC1)(C)CCC)(C)C.[I-].[I-]
|
C9329.png
| |
FC(S(=O)(=O)Nc1ccccc1)(F)F
|
C4907.png
| |
Cc1ccnc2c1[nH]c(=O)c1c(n2C2CC2)nccc1
|
C664.png
| |
CCCCS
|
C1009.png
| |
COC(=O)C(C#N)C(=O)CC(C)C
|
F-209.png
| |
Clc1ccc(nc1)OCCCCCNCCSS(=O)(=O)O
|
C6875.png
| |
CCCCO[P](=O)(CCCC)OCCCC
|
B-232.png
| |
CC1=NN(c2ccccc2)C(=O)C1N=Nc3ccccc3
|
A-5607.png
| |
Cc1cc(ccc1N=Nc2ccccc2)N(CCO)CCO
|
B-2032.png
| |
CCCCCCCSCCCCCCN1CCSC1.Cl
|
C2957.png
| |
CCCCCCCCCCCCN
|
B-740.png
| |
Clc1ccc(cc1)C(=O)Nc1ncccc1C
|
C5107.png
| |
CCCCN1C(=O)N(C)c2ncn(C)c2C1=O
|
B-1624.png
| |
CC34CCC1C(CCC2=CC(=O)CCC12O)C3CCC4(O)C#C
|
G-885.png
| |
Nc1ccc(cc1)[S](=O)(=O)c2sc(N)nc2
|
B-966.png
| |
NC(CO)C(=O)NC(CO)C(O)=O
|
B-2255.png
| |
Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C(C)(C)C
|
C510.png
| |
CCCCCCCCCC(=O)OOC(=O)CCCCCCCCC
|
A-5883.png
| |
CCCCCC(C(=O)O)CCC
|
C5874.png
| |
c1ccc(cc1)c2ccc(cc2)c3ccccc3
|
A-201.png
| |
ClC1=CC(=C(OC2=CC=C(Cl)C=C2Cl)C=C1)Cl
|
C-1378.png
| |
ClCC#CCOC(=O)Nc1cccc(c1)Cl
|
C362.png
| |
Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
|
C199.png
| |
OC1CCN(CC1)C(=O)COC(=O)c2ccccc2
|
B-3441.png
| |
N#Cc1c(Cl)cccc1Cl
|
C390.png
| |
Oc1c(Cl)cc(Cl)cc1Cc2ccccc2
|
B-2560.png
| |
ClCC[NH+](CCOc1ccc(cc1)C)CC.[Cl-]
|
C5478.png
| |
IC1=CC=CC(=C1)N=C=S
|
C-1782.png
| |
[Li+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
|
A-2446.png
| |
Nc1ccc(O[P](=S)(Oc2ccc(N)cc2)Oc3ccc(N)cc3)cc1
|
A-1956.png
| |
O[C@H]([C@H](C(=O)O)O)C(=O)O.O[C@H]([C@H](C(=O)O)O)C(=O)O.CC1N(C)CCOC1c1ccccc1
|
C7899.png
| |
[Na+].OC[S]([O-])=O
|
A-3347.png
| |
Cn1c2ccccc2c(C(N)=O)c1C(N)=O
|
B-2917.png
| |
[O-]P(=O)(OCC[N+](C)(C)C)[O-].[Cl-].[Ca+2]
|
C9616.png
| |
CC(=C)[C@H]1CC[C@@H](C(=O)C1)C
|
C1008.png
| |
[nH]1ncc2ccccc12
|
B-3971.png
| |
CCCCCCCCC(O)=O
|
A-5182.png
| |
CCOC1=CC=C(C(=O)OCCNC(C)C2=CC=CC=C2)C=C1
|
F-729.png
| |
Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2
|
C3428.png
| |
CCCNC(=O)OCC(COC(=O)N)(CC)CC
|
C5282.png
| |
[Zn++].[O-]C=O.[O-]C=O
|
B-1188.png
| |
ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl
|
B-70.png
| |
Clc1ccc(c(c1Cl)O)Cl
|
C834.png
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.