smiles
stringlengths 2
322
| selfies
stringlengths 6
952
| target
class label 2
classes |
|---|---|---|
CCCCCC(=O)OCCc1ccccc1
|
[C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
C=CCOc1ccccc1OCC(O)CNC(C)C
|
[C][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C]
| 00
|
OCCNCc1ccccc1
|
[O][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
COC(=O)Cc1ccccc1
|
[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CC(=O)Nc1ccccc1
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CCNc1cc(O)ccc1C
|
[C][C][N][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C]
| 00
|
COP(=S)(OC)Oc1ccc(SC)c(C)c1
|
[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=C][C][=C][Branch1][Ring1][S][C][C][Branch1][C][C][=C][Ring1][=Branch2]
| 00
|
CN(C)C(=O)Nc1cccc(C(F)(F)F)c1
|
[C][N][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
|
CCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC
|
[C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C][C][C]
| 00
|
CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC
|
[C][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][C]
| 00
|
O=[N+]([O-])c1cc(N(CCO)CCO)ccc1NCCO
|
[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][=C][C][=C][Ring1][=N][N][C][C][O]
| 00
|
CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I
|
[C][C][=Branch1][C][=O][N][Branch1][O][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][I][C][=C][Branch1][C][I][C][Branch1][C][N][=C][Ring1][=Branch2][I]
| 00
|
CC(C=O)Cc1ccc(C(C)C)cc1
|
[C][C][Branch1][Ring1][C][=O][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2]
| 00
|
O=C(CCl)Nc1ccccc1
|
[O][=C][Branch1][Ring1][C][Cl][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
COc1ccc(OC)c(Cl)c1
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2]
| 00
|
Cc1cc(O)c(Cl)cc1C
|
[C][C][=C][C][Branch1][C][O][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C]
| 00
|
NC(=O)c1ccc([N+](=O)[O-])cc1Cl
|
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Cl]
| 00
|
Cc1cccc(C(C)(C)C)c1O
|
[C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][O]
| 00
|
CCOC(=O)C(=O)CCc1ccccc1
|
[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CCN(CC)CC(=O)Oc1ccc(NC(C)=O)cc1
|
[C][C][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2]
| 00
|
CC(=O)c1cccc([N+](=O)[O-])c1
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]
| 00
|
CC(=O)c1ccccc1[N+](=O)[O-]
|
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]
| 00
|
CC(=O)c1ccc([N+](=O)[O-])cc1
|
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
| 00
|
Nc1cccc([N+](=O)[O-])c1
|
[N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]
| 00
|
Nc1ccccc1[N+](=O)[O-]
|
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]
| 00
|
C=C(C)c1ccccc1
|
[C][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
O=C(Cl)c1c(Cl)cccc1Cl
|
[O][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]
| 00
|
COc1ccc(C=O)cc1OC
|
[C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][O][C]
| 00
|
CCOP(=S)(OCC)O/N=C(\C#N)c1ccccc1
|
[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][/N][=C][Branch1][Ring1][\C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
COCCOC(=O)c1ccccc1C(=O)OCCOC
|
[C][O][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][O][C]
| 00
|
COc1cc(CCN)c(OC)cc1Br
|
[C][O][C][=C][C][Branch1][Ring2][C][C][N][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][Br]
| 00
|
COc1cc(C[C@@H](C)N)c(OC)cc1Br
|
[C][O][C][=C][C][Branch1][#Branch1][C][C@@H1][Branch1][C][C][N][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][Br]
| 00
|
COc1cc(CCN)cc(OC)c1OC
|
[C][O][C][=C][C][Branch1][Ring2][C][C][N][=C][C][Branch1][Ring1][O][C][=C][Ring1][O][O][C]
| 00
|
CCCSc1cc(OC)c(CCN)cc1OC
|
[C][C][C][S][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring2][C][C][N][C][=C][Ring1][O][O][C]
| 11
|
COc1cc(C[C@H](C)N)c(OC)cc1Br
|
[C][O][C][=C][C][Branch1][#Branch1][C][C@H1][Branch1][C][C][N][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][Br]
| 00
|
COc1cc(CC(C)C)cc(OC)c1OC
|
[C][O][C][=C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][N][O][C]
| 00
|
CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
|
[C][C][C][N][Branch1][Ring2][C][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1]
| 00
|
CC(C)NCC(O)c1ccc(O)c(O)c1
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
| 00
|
Cc1cc(C)c(N)cc1C
|
[C][C][=C][C][Branch1][C][C][=C][Branch1][C][N][C][=C][Ring1][Branch2][C]
| 00
|
CC(=O)Nc1ccccc1C
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
| 00
|
CC(=O)Nc1cccc(C)c1
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1]
| 00
|
CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][=C][Ring1][#C]
| 00
|
CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
|
[C][C][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N]
| 00
|
CC(=O)CC(=O)Nc1ccc(S(=O)(=O)[O-])cc1
|
[C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2]
| 00
|
CCCCC(CC)COC(=O)/C=C/c1ccc(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
|
CCCC(=O)OC(C)(C)Cc1ccccc1
|
[C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CC(C)c1cc(C(C)C)cc(C(C)C)c1
|
[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][N]
| 00
|
Cc1ccc(S(=O)(=O)O)cc1
|
[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]
| 00
|
CCCNC(C)C(=O)Nc1ccccc1C
|
[C][C][C][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
| 00
|
O=C([O-])CCCc1ccccc1
|
[O][=C][Branch1][C][O-1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CC(C)c1ccc(S(=O)(=O)O)cc1
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]
| 00
|
CCC(CC)(CNC(=O)CCCO)c1cccc(OC)c1
|
[C][C][C][Branch1][Ring1][C][C][Branch1][O][C][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2]
| 00
|
CC(C)(C)c1cc(C=O)cc(C(C)(C)C)c1O
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][Ring1][C][=O][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][N][O]
| 00
|
CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1
|
[C][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
| 00
|
CCCc1ccccc1O
|
[C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
| 00
|
CCC(=O)OCc1ccc(OC)cc1
|
[C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
| 00
|
CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1
|
[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
| 00
|
Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1
|
[C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][P][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P]
| 00
|
Cc1cccc(C(=O)O)c1
|
[C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2]
| 00
|
O=C(O)c1cccc(O)c1
|
[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
| 00
|
Cc1ccc(C(=O)O)cc1
|
[C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
| 00
|
CCC(C(=O)OCCN(CC)CC)c1ccccc1
|
[C][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC
|
[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C][C][C]
| 00
|
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1
|
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][C]
| 00
|
CNC(=O)Oc1ccccc1OC(C)C
|
[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C]
| 00
|
CC(=O)CC(=O)Nc1ccccc1
|
[C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CC(=O)Nc1ccc(C(=O)O)cc1
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
| 00
|
COc1ccc(NC(C)=O)cc1N
|
[C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][N]
| 00
|
CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)cc1
|
[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C][C][C][C][=C][Ring1][P]
| 00
|
ICCc1ccccc1
|
[I][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
O=[N+]([O-])c1cccc(I)c1
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1]
| 00
|
COc1ccc(NC(=O)CC(C)=O)cc1
|
[C][O][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=O][C][=C][Ring1][=N]
| 00
|
Clc1cc(Cl)c(OCC#CI)cc1Cl
|
[Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch1][O][C][C][#C][I][C][=C][Ring1][N][Cl]
| 00
|
NC(=S)NS(=O)(=O)c1ccc(N)cc1
|
[N][C][=Branch1][C][=S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
| 00
|
COC(=O)/C=C/c1ccccc1
|
[C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1]
| 00
|
CON(C)C(=O)Nc1ccc(Br)cc1
|
[C][O][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
| 00
|
CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)[O-])c1I
|
[C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][I][C][=C][Branch1][C][I][C][Branch1][N][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O-1][=C][Ring1][#C][I]
| 00
|
Nc1c(Cl)cc(Cl)cc1Cl
|
[N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]
| 00
|
Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
|
[N][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
|
Nc1cc(Cl)ccc1O
|
[N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O]
| 11
|
Nc1cc(Cl)c([N+](=O)[O-])cc1O
|
[N][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][O]
| 00
|
CCOc1ccc(NC(C)=O)cc1
|
[C][C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2]
| 00
|
Nc1cc(Cl)cc(S(=O)(=O)O)c1O
|
[N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Ring1][O][O]
| 00
|
O=Cc1ccc(Cl)cc1Cl
|
[O][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
| 00
|
CCOC(=O)c1cccc(N)c1
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]
| 00
|
COc1ccc(OC)c(NC(=O)CC(C)=O)c1
|
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=O][=C][Ring1][#C]
| 00
|
N#Cc1ccc(Cl)cc1
|
[N][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
| 00
|
COC(=O)c1ccccc1Cl
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
| 00
|
O=S(=O)([O-])c1cc(O)c(O)c(S(=O)(=O)[O-])c1
|
[O][=S][=Branch1][C][=O][Branch1][C][O-1][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring1][N]
| 00
|
NC(=O)c1ccc(N)cc1
|
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
| 00
|
NNC(=O)c1cccc(C(=O)NN)c1
|
[N][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][N][=C][Ring1][#Branch2]
| 00
|
O=[N+]([O-])C=Cc1ccccc1
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 11
|
COP(=O)(OC)O/C(=C\Cl)c1cc(Cl)c(Cl)cc1Cl
|
[C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][/C][=Branch1][Ring1][=C][\Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]
| 00
|
N#CSCc1ccccc1
|
[N][#C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 11
|
O=S(=O)(O)c1cc(Cl)c(Cl)cc1Cl
|
[O][=S][=Branch1][C][=O][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]
| 00
|
CNC.O=C(O)COc1ccc(Cl)cc1Cl
|
[C][N][C].[O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
| 00
|
Cc1ccc(C(C)(C)O)cc1
|
[C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][=C][Ring1][#Branch2]
| 00
|
CNC[C@H](O)c1ccc(O)c(O)c1
|
[C][N][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
| 00
|
CC(C)N(C(=O)CCl)c1ccccc1
|
[C][C][Branch1][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]
| 11
|
N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O
|
[N][C@@H1][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N][C][=Branch1][C][=O][O]
| 11
|
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