smiles
stringlengths 1
419
| filename
stringlengths 6
10
| image
imagewidth (px) 128
128
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|---|---|---|
CCSCC | A-3924.png | |
CCOC(=O)N1CCCc2c1cccc2 | C4106.png | |
ClCC[NH+](CC[NH+](CCCl)CC)CC.[Cl-].[Cl-] | C7208.png | |
OC1=CC=C(C=C1)N=C=S | C-1661.png | |
CC[N+](CCOc1ccc(cc1)/C=C/c1ccccc1)(CC)CC.[I-] | C3180.png | |
ClCCN(CCCl)CCCl | C5391.png | |
C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O | C1347.png | |
Clc1cc(Cl)c(c(c1)Cl)c1c(Cl)cccc1Cl | C64.png | |
CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC | A-2690.png | |
CC(C)CNCC1=CC2=C(OC(S(N)(=O)=O)=C2)S1 | F-915.png | |
CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC | C2726.png | |
ClC1=CC(=C(OC2=CC=CC=C2)C(=C1)Cl)Cl | C-2081.png | |
CCOC(OCC)C(Cl)(Cl)Cl | B-1304.png | |
CCC(C)C(C)C(C)CCc1ccc(O)cc1 | A-5076.png | |
C[N+]1(CCCC[N+]2(C)CCOCC2)CCOCC1.[Br-].[Br-] | C6419.png | |
CCC#CC(C)O | B-574.png | |
CCS(=O)c1ccc(cc1)OCC(CN1CCN(CC1)c1ccccc1)O.Cl.Cl | C6712.png | |
COc1ccc(cn1)N | C9030.png | |
OC(=O)C(O)=O | A-3002.png | |
O=C1NC(=O)C(C(=O)N1)[N+](=O)[O-] | C977.png | |
Nc1cc(Cl)cc(Cl)c1 | B-3686.png | |
C1CCN(CC1)SSN1CCCCC1 | C6606.png | |
c1ccc2N(C)C3C4CC5C(CC)C(O)N4C(C56)CC3(C6O)c2c1 | E-997.png | |
CCOC(=O)C1N=C(c2c(NC1=O)ccc(c2)Cl)c1ccccc1F | C3681.png | |
O=c1ccccn1C | C1638.png |