SMILES
stringlengths 4
93
| ZINC_ID
stringlengths 16
16
|
|---|---|
CCCCl
|
ZINC4m0000003WZJ
|
C=CCI
|
ZINC4m0000003X3z
|
ClCCBr
|
ZINC4m0000003Xm4
|
CSSC
|
ZINC4m0000003XHY
|
FC(F)I
|
ZINC4m0000003XJl
|
CC(C)C
|
ZINC4m0000002lMm
|
C=C(F)Cl
|
ZINC4m0000002pOd
|
ClB(Cl)Cl
|
ZINC4m0000002uzT
|
F/C=C\\Cl
|
ZINC4m0000002ALa
|
CC(C)Cl
|
ZINC4m0000003Z6D
|
[CH2-]CCC
|
ZINC4m0000003ZrK
|
ClCCI
|
ZINC4m0000003ZsK
|
C/C=C/Cl
|
ZINC4n0000002nnd
|
IC#CI
|
ZINC4n0000002AVp
|
CCCBr
|
ZINC4n0000003WVg
|
CC(C)Br
|
ZINC4n0000003WVj
|
S=C(Cl)Cl
|
ZINC4n0000003YGx
|
C=C(C)Cl
|
ZINC4n0000002nnc
|
C/C=C\\Cl
|
ZINC4n0000002nne
|
BrCCBr
|
ZINC4n0000003YHw
|
FC(Cl)Cl
|
ZINC4n0000003ZPU
|
CC(C)I
|
ZINC4o0000003X3A
|
CC(Cl)Cl
|
ZINC4o0000003X3B
|
CCCC
|
ZINC4o0000002lMd
|
C=C(F)Br
|
ZINC4o0000002pO6
|
F/C=C/Br
|
ZINC4o0000002AKN
|
F/C=C\\Br
|
ZINC4o0000002AKO
|
CCCI
|
ZINC4o0000003ZaD
|
ICCI
|
ZINC4o0000003ZQF
|
C/C=C\\Br
|
ZINC4p0000002lLx
|
C=C(C)I
|
ZINC4p0000002oL3
|
Cl/C=C\\Cl
|
ZINC4p0000002uIc
|
C=C(C)Br
|
ZINC4p0000002lLv
|
C/C=C/Br
|
ZINC4p0000002lLw
|
C=C(Cl)Cl
|
ZINC4p0000002oLB
|
Cl/C=C/Cl
|
ZINC4p0000002uIb
|
ClC(Cl)Cl
|
ZINC4p0000003ZsL
|
FC(Br)Br
|
ZINC4q0000000ARo
|
CC(Br)Br
|
ZINC4r0000000ARq
|
ClC(Cl)Br
|
ZINC4r0000000ARr
|
ClC(Cl)I
|
ZINC4r0000000ARs
|
BrB(Br)Br
|
ZINC4r0000000ARp
|
FP(F)F
|
ZINC4r0000000ARt
|
Br/C=C/Br
|
ZINC4s0000000ARu
|
Br/C=C\\I
|
ZINC4s0000000ARx
|
C=C(Br)Br
|
ZINC4s0000000ARy
|
CC(I)I
|
ZINC4s0000000ARz
|
Br/C=C/I
|
ZINC4s0000000ARv
|
Br/C=C\\Br
|
ZINC4s0000000ARw
|
ClC(Br)Br
|
ZINC4s0000000ARA
|
IB(I)I
|
ZINC4s0000000ARB
|
Cl[C@@H](Br)I
|
ZINC4t0000000ARD
|
Cl[C@H](Br)I
|
ZINC4t0000000ARE
|
ClC(I)I
|
ZINC4t0000000ARC
|
BrC(Br)Br
|
ZINC4u0000000ARF
|
BrC(Br)I
|
ZINC4u0000000ARG
|
CP(Cl)Cl
|
ZINC4u0000000ARH
|
IC(I)I
|
ZINC4v0000000ARI
|
ClSSCl
|
ZINC4w0000000ARJ
|
ClP(Cl)Cl
|
ZINC4z0000000ARK
|
BrP(Br)Br
|
ZINC4D0000000ARL
|
IP(I)I
|
ZINC4F0000000ARM
|
CNC(C)=O
|
ZINC550000001tug
|
CCC(N)=O
|
ZINC550000001I4F
|
C1CNCN1
|
ZINC550000002hj1
|
C1=NCCN1
|
ZINC550000002htc
|
c1nc[nH]n1
|
ZINC550000002htY
|
c1nn[nH]n1
|
ZINC550000002hvx
|
C#C[C@@H](C)N
|
ZINC550000002omt
|
C#CCNO
|
ZINC550000002pgx
|
C#CCON
|
ZINC550000002pEC
|
C[C@@H]1CN1N
|
ZINC550000002quY
|
C[C@H]1CN1N
|
ZINC550000002quZ
|
C[C@@H](N)CN
|
ZINC550000002rAm
|
C[C@H](N)C#N
|
ZINC550000002rAp
|
C[C@H](N)C=O
|
ZINC550000002rB3
|
C[C@H](O)CN
|
ZINC550000002rVI
|
C[C@@H](O)C=O
|
ZINC550000002rWX
|
C[C@H](O)CO
|
ZINC550000002rWY
|
CCN(C)N
|
ZINC550000002syh
|
C[C](N)CO
|
ZINC550000002szw
|
CC(N)=S=O
|
ZINC550000002sGU
|
CC(=O)CN
|
ZINC550000002ttm
|
CC(=O)C=O
|
ZINC550000002twE
|
CC[S@](N)=O
|
ZINC550000002utD
|
CC[S@@](N)=O
|
ZINC550000002utE
|
CNCCN
|
ZINC550000002wEE
|
CN(C)C=O
|
ZINC550000002wHC
|
CNN(C)C
|
ZINC550000002x8L
|
CN[N+](=O)[O-]
|
ZINC550000002x9J
|
COCCO
|
ZINC550000002ywS
|
COCON
|
ZINC550000002zVm
|
CO[S@@](C)=O
|
ZINC550000002A1H
|
CS(C)(=O)=S
|
ZINC550000002Ajz
|
FC1CNC1
|
ZINC550000002AGY
|
NCCCO
|
ZINC550000002Dz7
|
N#C[C@@H]1CN1
|
ZINC550000002DQz
|
N#C[C@H]1CN1
|
ZINC550000002DQA
|
N#C[C@@H]1CO1
|
ZINC550000002DSv
|
N#C[C@H]1CO1
|
ZINC550000002DSw
|
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