Dataset Viewer (First 5GB)
SMILES
stringlengths 4
93
| ZINC_ID
stringlengths 16
16
|
|---|---|
BN(C)C
|
ZINC450000002gDx
|
C1CNC1
|
ZINC450000002hc1
|
C#CCN
|
ZINC450000002oMe
|
C#CCO
|
ZINC450000002phQ
|
C[C@@H]1CN1
|
ZINC450000002quN
|
C[C@H]1CN1
|
ZINC450000002quO
|
CCNO
|
ZINC450000002sEr
|
CCON
|
ZINC450000002u8f
|
C=[N+](C)C
|
ZINC450000002w4O
|
CN(C)N
|
ZINC450000002wVz
|
CNC#N
|
ZINC450000002wVA
|
CN(C)O
|
ZINC450000002wY2
|
CNNC
|
ZINC450000002x7L
|
CNOC
|
ZINC450000002x9K
|
C[N+](=O)[O-]
|
ZINC450000002xau
|
COCO
|
ZINC450000002yVm
|
NCCS
|
ZINC450000002Ee4
|
O=c1cc1
|
ZINC450000002GcZ
|
OCCF
|
ZINC450000002ILP
|
O=CCO
|
ZINC450000002JbH
|
OCCS
|
ZINC450000002Jfn
|
CB(O)O
|
ZINC450000003WCo
|
CNC=O
|
ZINC450000003XtW
|
C[S@@](=O)O
|
ZINC450000003XHt
|
N#CCO
|
ZINC450000003XZF
|
O=BOO
|
ZINC450000003Yc0
|
N=C(O)S
|
ZINC450000002FAa
|
CC(N)=O
|
ZINC450000001I4D
|
B1CCN1
|
ZINC450000002gD1
|
C#CC=O
|
ZINC450000002phR
|
CCNN
|
ZINC450000002sCI
|
CC(=N)N
|
ZINC450000002sCJ
|
COC=O
|
ZINC450000002yVn
|
CS(C)=O
|
ZINC450000002Aj2
|
C[S@](N)=O
|
ZINC450000002AmS
|
C[S@@](N)=O
|
ZINC450000002AmT
|
NCCF
|
ZINC450000002DBS
|
N#CCN
|
ZINC450000002E48
|
NC(=O)O
|
ZINC450000002FzP
|
NP(O)O
|
ZINC450000002G5G
|
O=CC=O
|
ZINC450000002JbI
|
OCCP
|
ZINC450000002Jfk
|
O=[PH](O)O
|
ZINC450000002Lx5
|
OP(O)O
|
ZINC450000002Lxn
|
O=S(O)O
|
ZINC450000002LJf
|
BC(=O)O
|
ZINC450000003YGT
|
[BH3-]C(=O)O
|
ZINC450000003YGV
|
C[S@](=O)O
|
ZINC450000003ZOc
|
N=CNO
|
ZINC4500000040bc
|
NC(N)=O
|
ZINC4500000040bd
|
NC(N)=S
|
ZINC4500000040bE
|
N=C(N)N
|
ZINC440000001I4E
|
OB(O)F
|
ZINC440000002G9z
|
O=[Sn](O)O
|
ZINC440000002LHF
|
O=S(=O)=O
|
ZINC440000002LJe
|
OB1OO1
|
ZINC440000003W4g
|
O=[Si](O)O
|
ZINC440000003Wag
|
[BH3-]N(C)C
|
ZINC440000003WaO
|
NCCN
|
ZINC440000002E47
|
NCCO
|
ZINC440000002E9p
|
OCCO
|
ZINC440000002JbG
|
NNC=O
|
ZINC440000003WsX
|
O[Br+2](O)O
|
ZINC440000003WtO
|
O[Cl+2](O)O
|
ZINC440000003Wxz
|
OB(O)O
|
ZINC430000002G9A
|
CC(=O)O
|
ZINC460000002uhg
|
N#CC#N
|
ZINC460000002E49
|
O=P(=O)O
|
ZINC460000002Lxm
|
CN(C)C
|
ZINC470000001wUv
|
C=CCO
|
ZINC470000002phP
|
NC1CC1
|
ZINC470000002AZY
|
N=C(N)Cl
|
ZINC470000002F9i
|
O=CCF
|
ZINC470000002ILQ
|
NCCCl
|
ZINC470000003W2s
|
N=C(S)S
|
ZINC470000003W3T
|
C=CCN
|
ZINC470000002oMd
|
C#CC#N
|
ZINC470000002oMf
|
OC1CC1
|
ZINC470000002Gd0
|
O=CCS
|
ZINC470000002Jfo
|
CCNC
|
ZINC480000001wUw
|
O=C(O)O
|
ZINC480000002L9A
|
OCCCl
|
ZINC480000003WwS
|
ON=NO
|
ZINC480000003WyS
|
CC(N)=S
|
ZINC480000004T66
|
CC(C)N
|
ZINC490000002oMg
|
CCCO
|
ZINC490000002phO
|
CC(C)O
|
ZINC490000002phS
|
C=CC=O
|
ZINC490000003X53
|
CCCN
|
ZINC490000002oMc
|
C=NN=C
|
ZINC490000002x7M
|
CON=O
|
ZINC490000002A0b
|
NCCBr
|
ZINC49000000404r
|
OCCBr
|
ZINC4900000040za
|
C/C=N\\O
|
ZINC4a0000002sEt
|
CC=NO
|
ZINC4a0000002sEu
|
N#CCF
|
ZINC4a0000002DBT
|
C1COC1
|
ZINC4a0000002hl7
|
C[C@@H]1CO1
|
ZINC4a0000002qGC
|
C[C@H]1CO1
|
ZINC4a0000002qGD
|
ClN1CC1
|
ZINC4a0000002uIr
|
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