smiles
stringlengths 1
419
| filename
stringlengths 6
10
| image
imagewidth (px) 128
128
|
|---|---|---|
CC(CNCCOC(=O)c1ccc(cc1)N)C.Cl
|
C7343.png
| |
c1ccc2Sc3ccc(C(#N))cc3N(CCCN4CCC(O)CC4)c2c1
|
E-1001.png
| |
C1CCN(C1)CC1COC2(O1)c1ccccc1OCc1c2cccc1.OC(=O)/C=C/C(=O)O
|
C2710.png
| |
CN1C=NC2=C(N(C)C(=O)N(C)C2=O)C1=O
|
B-3335.png
| |
CC(=C)C(=O)OCC(F)(F)F
|
A-257.png
| |
CC12CCC3C(CCC4=CC(=CC=C34)O)C1CCC2O
|
C-495.png
| |
CC(C)c1ccc(C)c(O)c1
|
B-1018.png
| |
CC(C)CCBr
|
B-534.png
| |
CC1=CC2=CC3=C(C=C2O1)OC(=O)C=C3C
|
F-32.png
| |
CC/C=C/CCOC(=O)OC
|
A-1730.png
| |
CC(=O)OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1C[C@@H](C1=CC(=O)C=C[C@]21C)F)F)(C)C
|
C3073.png
| |
CC(C(c1cccc2c1cccc2)(C(=O)N)CCN1CCCCC1)C
|
C2658.png
| |
[Cl-].CCOC(=O)c1ccccc1c2c3ccc(cc3[o+]c4cc(ccc24)N(CC)CC)N(CC)CC
|
A-3998.png
| |
CCCCCCCCCCCCCC(=O)O
|
C194.png
| |
CCCOC1=CC=C2C(C(C(C3=CC=C(OC)C=C3OCC(O)=O)C2=C1)C(O)=O)C4=CC5=C(OCO5)C=C4
|
C-2579.png
| |
COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O
|
C2495.png
| |
O=C(COC(=O)c1ccccc1)N2CCOCC2
|
B-3416.png
| |
CCCCCOc1ccc(cc1OCC)C=CC(=O)NO
|
C3886.png
| |
FC(F)Cl
|
A-3939.png
| |
CC1CC=C(C)C(=O)C1C
|
A-4582.png
| |
OC(=O)C(=O)O.CCC(=O)N(CC(N1CCC(CC1)(O)c1ccccc1)C)Cc1ccccc1.CCC(=O)N(CC(N1CCC(CC1)(O)c1ccccc1)C)Cc1ccccc1
|
C2951.png
| |
OC(=S)CCCCCCC(O)=S
|
F-193.png
| |
OC(=O)C(Cc1ccc(c(c1)O)O)(N)C
|
C8679.png
| |
CCCCCCC1(CC)C(=O)NC(=S)NC1=O
|
C-1689.png
| |
NC(=O)NCCC(O)=O
|
B-956.png
| |
CCCCCCCCCCCCCCCCNC(=O)C(C)O
|
B-2134.png
| |
Oc1ccc2c(c1)[nH]c1c2cccc1
|
C4472.png
| |
Cc1cc(OCCCCCNCCSS(=O)(=O)O)nc2c1cccc2
|
C4924.png
| |
C[S](C)=O
|
B-132.png
| |
[Ba++].Cc1ccc(N\N=C\2C(=O)C(=Cc3ccccc23)C([O-])=O)c(c1)[S]([O-])(=O)=O
|
A-2062.png
| |
CCOC1=C(CN(C1=O)C(C)C)[N+](=O)[O-]
|
F-803.png
| |
CSCCC(O)C#N
|
A-4462.png
| |
CCCNC(=O)OCC(COC(=O)N)(CC)C
|
C6112.png
| |
COc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O)O
|
C1911.png
| |
CCCC(CC)CCCCCCCN
|
A-853.png
| |
[O-]C(=O)c1ccccc1O.[Na+]
|
C9058.png
| |
CCC(CC)Nc1c(cc(C)c(C)c1[N+]([O-])=O)[N+]([O-])=O
|
B-2875.png
| |
O=C(N(c1ccccc1C(=O)N(c1ccccc1)C)C)CN1CCOCC1
|
C4965.png
| |
CC(=O)NC1=CC=C(C=O)C=C1
|
C-256.png
| |
ClCCN(C(=O)NC1CCS(=O)(=O)CC1)N=O
|
C5964.png
| |
C[N+](CCC[NH+]1CCc2c(C1)cccc2)(C)C.[Br-].[Br-]
|
C9489.png
| |
BrCCN(c1ccc(cc1)OC(=O)c1ccc(cc1)c1ccccc1)CCBr
|
C1834.png
| |
NCCCNCCCCN.Cl.Cl.Cl
|
C9621.png
| |
CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c1ccccc1
|
C3295.png
| |
CC(CC12CC3CC(C2)CC(C1)C3)N.Cl
|
C5644.png
| |
CCOC(=O)Cc1[nH]nc2ccc(Cl)cc12
|
B-2694.png
| |
CNN1C(C)(C)CCCC1(C)C
|
C6403.png
| |
COCC(=O)N(C(C)C(=O)OC)C1=C(C)C=CC=C1C
|
C-1318.png
| |
Brc1cccnc1OCCCCCN1CSCC1.Cl
|
C4805.png
| |
Oc1cc(O)c(cc1[N+]([O-])=O)[N+]([O-])=O
|
B-1349.png
| |
CC(OC(=O)N1c2ccccc2Sc2c1nccc2)CN(C(C)C)C(C)C.Cl
|
C2101.png
| |
[Na+].CN(C1CCCCC1)[S](=O)(=O)c2ccccc2NNC3=C4C(=O)C=C(C=C4C=CC3=N)[S]([O-])(=O)=O
|
A-1866.png
| |
CC1(C)OC(=O)c2cc3ccccc3cc12
|
B-2643.png
| |
CCOC(C(=O)N(CC[NH+](C)C)C)(c1ccccc1)c1ccccc1.[Cl-]
|
C4082.png
| |
NC(=O)C=C
|
B-4035.png
| |
ClC1=C(Cl)C(=C(OC2=CC(=C(Cl)C(=C2)Cl)Cl)C=C1)Cl
|
C-2303.png
| |
O[C@H]1[C@@H](O[C@]([C@H]1O)(F)COS(=O)(=O)N)n1cnc2c1ncnc2N
|
C7717.png
| |
O=c1[nH]c2c(o1)cc(c(c2)Cl)Cl
|
C6198.png
| |
CCCC(=O)CC
|
C1418.png
| |
[Na+].NCCNCC[S]([O-])(=O)=O
|
A-3833.png
| |
Cc1nc(C)c(cc1C(O)=O)C(O)=O
|
B-1914.png
| |
CCN(CC)C(=O)CSc1ccc(Cl)nn1
|
B-1726.png
| |
[Fe+3].Cc1ccc(cc1)[S]([O-])(=O)=O.Cc2ccc(cc2)[S]([O-])(=O)=O.Cc3ccc(cc3)[S]([O-])(=O)=O
|
A-604.png
| |
OC(=O)CCC(=O)Nc1cc(c2c1c(C)ccc(c2)C(C)C)C
|
C2782.png
| |
CCCCc1c(C)[nH]c(=S)[nH]c1=O
|
C6558.png
| |
CCO[P](C)(=O)SCCN(C(C)C)C(C)C
|
B-2913.png
| |
Nc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O
|
B-2520.png
| |
OC[C@H]1O[C@@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1.Cl
|
C8571.png
| |
OC(COc1ccc(cc1)CC(=O)N)CNC(C)C
|
C1706.png
| |
O=Cc1ccco1
|
C1549.png
| |
CCCCCCCCC(CC)(CC)C(=O)NO
|
F-440.png
| |
CN(CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C
|
C196.png
| |
CC[C@]12CC[C@H]3[C@@H](CCC4=C3CC=C(C4)OC)[C@@H]1CCC2=O
|
A-5077.png
| |
C=CCc1ccc(c(c1)OC)Oc1ccccc1
|
C3125.png
| |
O=C(NC(CO)C(=O)O)C1=CC=CC=C1
|
F-451.png
| |
CCC(CC)(O)C
|
C1515.png
| |
COC(=O)C1=CCCN(C)C1
|
B-112.png
| |
NCCN
|
B-517.png
| |
CCN(CC)C(=O)CCl
|
B-1850.png
| |
CN(CCOc1cc(C)c(cc1C(C)C)OC(=O)C)C.Cl
|
C5579.png
| |
FC(F)(F)Cl
|
B-4405.png
| |
COC(=O)C1(CCCCC1)[S](=O)(=O)c2ccc(Br)cc2
|
B-3537.png
| |
COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OCC(C)C)C
|
C3858.png
| |
CCN(CC(C(=O)c1ccccc1)(C)C)CC.Cl
|
C6005.png
| |
CCCCCNCCOC(=O)c1ccc(cc1)N
|
C640.png
| |
CCC(=O)CC(=O)C
|
C8809.png
| |
C[NH2+]C(C(c1cccc(c1)O)O)C.[Cl-]
|
C9713.png
| |
C1CN=C(N1)Cc1cccc2c1cccc2.[O-][N+](=O)O
|
C4335.png
| |
CCCOc1ccc(cc1)C(=O)OCCCN1CCCCC1C
|
C3362.png
| |
[Ni++].CC([O-])=O.CC([O-])=O
|
A-4270.png
| |
CC(C)C(C)O
|
G-287.png
| |
CN(CC/C=C/1\c2ccccc2Sc2c1cc(Cl)cc2)C
|
C2397.png
| |
Cc1cccnc1
|
B-566.png
| |
Clc1cccc(Cl)c1
|
A-1775.png
| |
CCO[P](=S)(OCC)SC[S](=O)(=O)C(C)(C)C
|
B-4317.png
| |
N#CC(c1ccccc1)c2ccccc2
|
B-307.png
| |
Clc1ccc(cc1Cl)c1ccccc1
|
C113.png
| |
Nc1ccncc1
|
B-1029.png
| |
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
|
C379.png
| |
COC(=O)C(Cl)Cc1ccc(Cl)cc1
|
B-2435.png
|
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