image imagewidth (px) 165 3.73k | smiles stringlengths 6 185 |
|---|---|
C1NC(=S)N=N1 | |
CNP(=O)(N(C)P(=O)(Cl)Cl)Cl | |
C1=CP=PP=C1C2=PP=PC=C2 | |
CCN(CC)P(=O)(C#CCl)OC | |
C[C@@H](C(=O)C)O[C@@H]1C[C@H]2[C@H]3CC[C@@]([C@H]2O1)(C3(C)C)C | |
C1CC(O[C@@H]1C(=O)O)C(=O)O | |
OS1(OO1)(O)(O)O | |
CCCC1(N=C2C=CC=CC2=N1)N(C)C | |
C(=C(F)F)(C(=O)F)F | |
C1C[C@@H]2C[C@H]1[C@H]3[C@@H]2[C@H]([C@@H]4OC[C@H]3O4)O | |
C[C@@H]1[C@@H]2C[C@](O1)(CC=C2C)C(C)C | |
N1[P+](N[P+](N[P+]1(F)F)(F)F)(F)F | |
C(#N)C(N(F)F)(F)Cl | |
[Fe]=[Bi+] | |
C[C@@H](CC1=CC=CC=C1)NC | |
C(=O)C(=NN=[W])C(=[W])O | |
CC(C)[C@](C(C)OC)(C(=O)O)O | |
CC(C)[C@H]1CC[C@]2([C@@H]3COC(=O)[C@@H]3[C@@H]1C24CO4)C | |
CC(C)NN(NC(C)C)P(O)OCl | |
B(B(N(C)C)SC1=CC=CC1)(N(C)C)SC2=CC=CC2 | |
CNC(=S)N1CCNC1=S | |
CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O | |
B1(C(B(C1(C)C)C)C)C | |
C1[C@H](N(C[C@]12C(=O)NC(=O)N2)CC3=CC=CC=C3)CO | |
C12NC3NC(N1)NC(N2)N3 | |
N1SNS(=NS1)O | |
CNC(=NC)P(=O)(O)SC | |
C1C[C@@H]([C@@H](C2=CC=CC=C2C1)O)N | |
F[Mn](F)(F)(F)(Br)Br | |
C(=O)(NO)P(=O)(O)O | |
CCSCCSP(=O)(C)OC(C)(C)C(C)(C)O | |
C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O | |
CC1(SCCS1)C#CCCCCC#CC2(SCCS2)C | |
C1(NC(=C(N1)Br)Br)Br | |
CC=[Zr](F)F | |
C1C#CC[C@@H]([C@H]1N=C=O)N=C=O | |
CC[C@@H](CO)NCCN[C@@H](CC)CO | |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C | |
C1=C2C(=NC=N1)PC=N2 | |
C[C@H]1CC2([C@H](CCC2C3C1C4=C(CC3)C=C(C=C4)O)O)C | |
C1=CN=NN=C1S(=O)(=O)Cl | |
C[Ge](C)(C)O[V](=O)(O[Ge](C)(C)C)O[Ge](C)(C)C | |
CC#CC#CC(C1=CC=C(O1)CCCO)O | |
CC1=CC(=O)CC([C@]1(C=CC(=CC(=O)O)C)O)(C)C | |
C1CCN2CC3CC([C@H]2C1)CN4C3=CC=CC4=O | |
C[C@@]1(CCC2C1(CCC3C2CCC4C3CCC(=O)C4)C)O | |
CC(C)(C)NP(=O)(CBr)Cl | |
C[C@@H]1[C@H](O[C@](C(=N1)C)(C)O)C2=CC=CC=C2 | |
CC1=CP(C=C1C)CP2C=C(C(=C2)C)C | |
CCOC(=NC1=NOC(=C1)C)C | |
CN(CCP(C)C)CCP(C)C | |
CCCCCCCCCCCCC[C@@H]1[C@@H](NC(=O)O1)C | |
C(=O)[C@H]([C@@H]([C@H]([C@@H](C(=O)O)O)O)O)O | |
CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)[C@@H](C(F)(F)F)O | |
COCN1CN(C(=C1O)O)COC | |
CC(C)(C)OOCC1(CO1)C#N | |
CC(C)(C)N=P(Br)(Br)Br | |
CSC(=NC(=O)C(=O)N=C(SC)Cl)Cl | |
[B]=[GeH2] | |
CC1=CC[C@]2(CC[C@]3([C@@H]2[C@H](C1)OC(=O)O3)C(C)C)C | |
C[C@@]12CCO[C@@]1(C(=O)C2)CC3=CC=CC=C3 | |
C1=CN(N=N1)ON2C=CN=N2 | |
CC1=C(C=CP(C1)Cl)Cl | |
C=CC[Sb](CC=C)(CC=C)(Cl)Cl | |
CS/C(=C(/C(=C(/SC)\N)/C#N)\C#N)/N | |
CS(C)(C)OS(=O)(=O)F | |
B1=ISC[I-]C1 | |
COC(=O)[C@@H]([C@H](C(=O)OC)O)O | |
C12=C(C(=C(S1)I)I)SC(=C2I)I | |
COC(=O)CCC/C=C\C[C@H]1[C@H]2CC[C@H](C2)[C@H]1C=O | |
C1=NNC(C1C#N)N | |
CC1=C(C=CC2=C1CCC3C2CCC4(C3CC[C@@H]4O)C)OC | |
O1[Al]2OP1S2 | |
C(#N)C1=C(C(=O)NC1=O)C#N | |
C1=CC=PC(=C1)Br | |
CC1=NOC(S1)(SC)SC | |
CSC1=NNC(=N1)N=C2SCS2 | |
C[C@]12CCC(CC1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4O)C)O | |
B([Si](C)(N(C)Cl)Cl)(Cl)Cl | |
C=S1C=NN=C1I=C | |
C1COC([C@@H](O1)Cl)Cl | |
CCOC(=C(F)Cl)F | |
C1=CC=C(C=C1)C#C[C@@H](C(F)F)O | |
C(=O)=[Pt]=C=O | |
C[Se]12(OP(=O)(O1)O2)(C)C | |
CN(C)CC[C@@H](C1=CC=C(C=C1)Br)C2=CC=CC=N2 | |
C(=O)NS(=P(O)(O)Cl)NC=O | |
C1=CN=C(C=N1)C(Br)(Br)Br | |
N=[S-](=S=S=S=S=S=S=S=S=S=S=S=[Y]I)O | |
CSC(=S)C1=C2SC(=C(SCCOCCOCCS1)C(=S)SC)S2 | |
[B]P(NC(=O)NC)PC | |
C[C@@]12CCC[C@H]1[C@@H]3CCC4=C([C@H]3CC2)C=CC(=C4)O | |
CCCCC(C(N)(O)O)N | |
C[C@@]1(CCC2C1(CCC3C2CC[C@@H]4C3(CC[C@H](C4)OC)C)C)O | |
[2H]S(=C(C)[O-])([2H])([2H])[2H] | |
C(F)(F)(F)S(=O)NP(=S)(N)N | |
C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O | |
[2H]C12C3C1C4C2C4C3 | |
CC(=O)OC/C=C(\F)/S(=O)CC=C(Cl)Cl | |
[2H][C@@]12C[C@](NN1C3=CC=CC=C3C2([2H])[2H])(C)C(=O)OCC |
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