smiles
stringlengths 2
322
| selfies
stringlengths 6
952
| target
class label 2
classes |
|---|---|---|
C=CCc1cc(OC)c(O)c(C(=O)NCCO)c1
|
[C][=C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][=C][Ring1][#C]
| 00
|
CCOC(=O)c1ccccc1OC
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C]
| 00
|
Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]
|
[N][C][=C][Branch1][C][Br][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1]
| 00
|
CC(C)C(=O)Nc1cccc(C(F)(F)F)c1
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
| 00
|
O=C(Nc1cccc(Cl)c1)OCC#CCCl
|
[O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][C][#C][C][Cl]
| 11
|
Oc1ccccc1F
|
[O][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
| 00
|
CN(C)c1ccc(N(C)C)cc1
|
[C][N][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2]
| 00
|
CCOc1ccccc1N
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N]
| 00
|
N=C(N)NN=Cc1c(Cl)cccc1Cl
|
[N][=C][Branch1][C][N][N][N][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]
| 00
|
CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
|
[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2]
| 00
|
Cc1ccc([N+](=O)[O-])cc1N
|
[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N]
| 00
|
O=P(O)(O)c1ccccc1
|
[O][=P][Branch1][C][O][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CC(C)c1ccccc1O
|
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
| 00
|
COc1ccc(N)c(OC)c1
|
[C][O][C][=C][C][=C][Branch1][C][N][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2]
| 00
|
Clc1ccc(Cl)c(Cl)c1
|
[Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
| 00
|
OCCN(CCO)c1ccccc1
|
[O][C][C][N][Branch1][Ring2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CCOc1cc(C=O)ccc1O
|
[C][C][O][C][=C][C][Branch1][Ring1][C][=O][=C][C][=C][Ring1][Branch2][O]
| 00
|
COc1cc(C=O)ccc1O
|
[C][O][C][=C][C][Branch1][Ring1][C][=O][=C][C][=C][Ring1][Branch2][O]
| 00
|
CC(C)(C)c1ccc(O)cc1
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
| 00
|
CC(C)(C)c1cc(O)ccc1O
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O]
| 00
|
O=C(O)c1cc(Cl)cc([N+](=O)[O-])c1Cl
|
[O][=C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][Cl]
| 00
|
COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
|
[C][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C]
| 00
|
CC[C@H](N)c1ccccc1
|
[C][C][C@H1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CC(C)(C)OC(=O)c1ccc(O)cc1
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
| 00
|
C=Cc1ccc(OC(C)=O)cc1
|
[C][=C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2]
| 00
|
CC(=O)Nc1ccc(N)cc1
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
| 00
|
CC(=O)Nc1cccc(N)c1
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]
| 00
|
Nc1cccc(N)c1
|
[N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]
| 00
|
Nc1ccc(N)cc1
|
[N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
| 00
|
CC(C)(C)c1ccc(N)cc1
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
| 00
|
CCCc1ccc(N)cc1
|
[C][C][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
| 00
|
CC(C)COC(=O)C=Cc1ccccc1
|
[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CCC(=O)Nc1ccc(Cl)c(Cl)c1
|
[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
| 00
|
CCc1cccc(C)c1N(C(=O)CCl)C(C)COC
|
[C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][Branch1][C][C][C][O][C]
| 00
|
Fc1ccccc1
|
[F][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CC(C)(C)c1ccc(CCC=O)cc1
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][C][C][C][=O][C][=C][Ring1][#Branch2]
| 00
|
CCCCC/C(=C/c1ccccc1)CO
|
[C][C][C][C][C][/C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][O]
| 00
|
CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][P+1][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C].[C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O-1]
| 11
|
O=[N+]([O-])c1ccc(CBr)cc1
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][Ring1][C][Br][C][=C][Ring1][Branch2]
| 00
|
CC(C)Cc1ccc([C@H](C)C(=O)O)cc1
|
[C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][#Branch2][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][O]
| 00
|
CC(C)COC(=O)COc1ccc(Cl)cc1Cl
|
[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
| 00
|
CCOC(=O)COc1ccc(Cl)cc1Cl
|
[C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
| 00
|
Cc1ccc(Br)cc1
|
[C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
| 00
|
CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1
|
[C][C][C][C][C][N][Branch1][=Branch1][C][C][C][O][C][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
| 00
|
CC(=O)OC(C)c1ccccc1
|
[C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
Cc1ccc(S(=O)(=O)[O-])c(C)c1
|
[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][Branch1][C][C][=C][Ring1][O]
| 00
|
OCCCc1ccccc1
|
[O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CCCCCCCCOC(=O)c1ccc(O)cc1
|
[C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
| 00
|
COc1ccc(Br)c(C)c1
|
[C][O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2]
| 00
|
Oc1c(Cl)c(Cl)cc(Cl)c1Cl
|
[O][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl]
| 00
|
O=[N+]([O-])c1ccc(S(=O)(=O)O)c([N+](=O)[O-])c1
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=N]
| 00
|
CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
|
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CN(C)c1ccc(N=O)cc1
|
[C][N][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][N][=O][C][=C][Ring1][Branch2]
| 11
|
CC(C)(C)OC(=O)c1cccc(N)c1
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]
| 00
|
Cc1ccc([N+](=O)[O-])cc1C
|
[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C]
| 00
|
Cc1cccc([N+](=O)[O-])c1C
|
[C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C]
| 00
|
Cc1ccc([N+](=O)[O-])c(C)c1
|
[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][C][=C][Ring1][#Branch2]
| 00
|
Cc1cccc(C)c1[N+](=O)[O-]
|
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]
| 00
|
Cc1ccc(C)c([N+](=O)[O-])c1
|
[C][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]
| 00
|
Cc1cc(C)cc([N+](=O)[O-])c1
|
[C][C][=C][C][Branch1][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]
| 00
|
COP(=S)(OC)Oc1ccc(S(=O)(=O)N(C)C)cc1
|
[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N]
| 00
|
O=C(O)Cc1ccccc1
|
[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC
|
[C][C][O][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=S][N][C][=Branch1][C][=O][O][C][C]
| 00
|
C=Cc1cccc(CCl)c1
|
[C][=C][C][=C][C][=C][C][Branch1][Ring1][C][Cl][=C][Ring1][Branch2]
| 00
|
C=Cc1ccc(C(C)(C)C)cc1
|
[C][=C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2]
| 00
|
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](COC(=O)CN)NC(=O)C(Cl)Cl)cc1
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][C@@H1][Branch1][C][O][C@@H1][Branch1][=Branch2][C][O][C][=Branch1][C][=O][C][N][N][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][=C][Ring2][Ring1][Branch1]
| 00
|
CCCCOC(=O)c1ccc(O)cc1
|
[C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
| 00
|
CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
|
[C][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][O]
| 00
|
O=C([O-])CCCOc1ccc(Cl)cc1Cl
|
[O][=C][Branch1][C][O-1][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
| 00
|
Cc1cc(O)c(Cl)c(C)c1Cl
|
[C][C][=C][C][Branch1][C][O][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][=Branch2][Cl]
| 00
|
O=[N+]([O-])/C=C/c1ccccc1
|
[O][=N+1][Branch1][C][O-1][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1]
| 11
|
CCCCCCC(C=O)=Cc1ccccc1
|
[C][C][C][C][C][C][C][Branch1][Ring1][C][=O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CCCCC(CC)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC
|
[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C][C][C]
| 00
|
CC(C)OC(=O)Cc1ccccc1
|
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl
|
[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]
| 00
|
CCC(C)(C)c1ccc(O)c(C(C)(C)CC)c1
|
[C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][N]
| 00
|
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O
|
[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O]
| 00
|
CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1
|
[C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][O][C][C][O][C][=C][Ring1][#Branch2]
| 00
|
C=CC(C)(CCC=C(C)C)OC(=O)c1ccccc1
|
[C][=C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][=C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CCCc1ccc(O)c(OC)c1
|
[C][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2]
| 00
|
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C@@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][=C][Ring1][P]
| 00
|
Cc1ccc(S(N)(=O)=O)cc1
|
[C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
| 00
|
CON(C)C(=O)Nc1ccc(Cl)cc1
|
[C][O][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
| 00
|
O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1
|
[O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][N]
| 00
|
COP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1
|
[C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
| 00
|
O=C(O)c1cccc(C(=O)O)c1
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2]
| 00
|
O=C(O)c1ccccc1C(=O)O
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
| 00
|
O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][N]
| 00
|
O=C(O)c1cccc(C(=O)O)c1C(=O)O
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][C][=Branch1][C][=O][O]
| 00
|
CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc([N+](=O)[O-])c1
|
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#C]
| 00
|
O=C(O)c1ccc(S(=O)(=O)O)cc1C(=O)O
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O]
| 00
|
CNC(=O)Oc1cc(C)cc(C(C)C)c1
|
[C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][#Branch2]
| 00
|
CC[N+](C)(C)Cc1ccccc1Br
|
[C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]
| 00
|
CCC(=O)c1ccc(Cl)cc1
|
[C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
| 00
|
Cc1cc(C)c(C(=O)O)c(C)c1
|
[C][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][O]
| 00
|
CCCCOc1ccc(N)cc1
|
[C][C][C][C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
| 00
|
CC(C)C(=O)c1ccccc1
|
[C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CC(C)(C)c1ccc(S)cc1
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][S][C][=C][Ring1][#Branch1]
| 00
|
CCCCCCOc1ccc(O)cc1
|
[C][C][C][C][C][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
| 11
|
CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1
|
[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
| 00
|
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