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 |
Subsets and Splits