SMILES
stringlengths 1
3.53k
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CCC(=C=C)C1=CC=C(C=C1)F |
CCCCC=C=CCNC(=O)C1=CC=C(C=C1)F |
C=C=CCCCOC1=CC=C(C=C1)F |
C=C=CCCCOC1=CC=C(C=C1)Cl |
C=C=C1CCC(CC1)C2=CC=CC=C2 |
CC(C)(C)[Si](C)(C)OCC=C=C1CCCCC1 |
C=C=CCCCN1C=CC=C1 |
CCC(CC)C=C=CCNS(=O)(=O)C1=CC=C(C=C1)C |
CC1=CC=C(C=C1)S(=O)(=O)NCC=C=CCCC2=CC=CC=C2 |
CC1=CC=C(C=C1)S(=O)(=O)NCC=C=CC2CC2 |
CC1=CC=C(C=C1)S(=O)(=O)NCC=C=CCC(C)(C)C |
CC1=CC=C(C=C1)S(=O)(=O)NCC=C=CCC(C)C |
C=C=CCOCC1=CC=C(C=C1)Cl |
C=C=CCOCC1=CC=C(C=C1)C2=CC=CC=C2 |
CC(C)(C)[Si](C)(C)OCC=C=C1CCCC1 |
CC(=C=CCO[Si](C)(C)C(C)(C)C)CCC1=CC=CC=C1 |
CC(C)C(=C=CCO[Si](C)(C)C(C)(C)C)C |
CC(C)(C)[Si](C)(C)OCC=C=C1CCC2(CC1)OCCO2 |
CCCCC#CC(CC)(CCCC)O |
CCCCC#CC(C)(C1=CC=CC=C1Br)O |
CCCCC#CC(C)(C1=CC(=CC=C1)Br)O |
CCCCC#CC(CCCC)(C1=CC=CC=C1)O |
CCCCC#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)F)O |
C1CCC(=C=CCN2C(=O)C3=CC=CC=C3C2=O)CC1 |
CCC(=C=C)C1=CC(=CC=C1)OC |
CCCCC=C=CCO[Si](C)(C)C(C)(C)C |
CCC(=C=CCO[Si](C)(C)C(C)(C)C)CC |
CCCC(=C=CCO[Si](C)(C)C(C)(C)C)CCC |
CCCCC(=C=CCO[Si](C)(C)C(C)(C)C)CCCC |
CCCCCC(=C=CCO[Si](C)(C)C(C)(C)C)CCCCC |
CC(C)(C)[Si](C)(C)OCC=C=CCCC1=CC=CC=C1 |
CC(C)(C)[Si](C)(C)OCC=C=CC1=CC=C(C=C1)Br |
CC(COCC=C=C)O |
CCCC=C=CCO[Si](C)(C)C(C)(C)C |
CCCCCC=C=CCO[Si](C)(C)C(C)(C)C |
CCCCCCC=C=CCO[Si](C)(C)C(C)(C)C |
CCCCCCCC=C=CCO[Si](C)(C)C(C)(C)C |
CCCCCCCCC=C=CC(C(C)(C)C)O[SiH](C)C |
CCCCCCCCCC=C=CCO[Si](C)(C)C(C)(C)C |
C=C=CCN1CCC2=CC=CC=C21 |
CCCCCCCCCC(=C=CCO[Si](C)(C)C(C)(C)C)C |
CC(C)(C)[Si](C)(C)OCC=C=C1CCCCCC1 |
CCC(C#CC1=CC=C(C=C1)C)(C2=CC=CC=C2)O |
CCC(C#CC1=CC=C(C=C1)Cl)(C2=CC=CC=C2)O |
C[C@H]([C-]1[C-]=[C-][CH-][C-]1C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F.[CH-]1[C-]=[C-][C-]=[C-]1.[Fe] |
C[C@H](C1=C(C=C=[C-]1)C2=C[CH-]C=CC2=[P+]([C-]3C=C[CH-]C=C3)[C-]4C=C[CH-]C=C4)P(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F |
C1C2CNC1C3=C2C(=NC(=N3)Cl)Cl |
C[C@@H]1CC[C@]23C[C@@H](C(=O)[C@]2([C@]1([C@@H](C[C@H]([C@@H]3C)C4=CCN5C(=O)N(C(=O)N5C4)C6=CC=CC=C6)OC(=O)CCl)C)O)O |
C1CN1.C1CO1.Cl |
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@H](CC4=CNC=N4)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC6=CNC=N6)NC(=O)[C@H](CCC[N+](=N)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)N.C(=O)(C(F)(F)F)O |
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@H](CC4=CNC=N4)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC6=CNC=N6)NC(=O)[C@H](CCC[N+](=N)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)N |
C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CC(=O)N)NC(=O)[C@H](CO)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N)[C@@H](C)O.C(=O)(C(F)(F)F)O |
C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CC(=O)N)NC(=O)[C@H](CO)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N)[C@@H](C)O |
CC(C)(CN1CCN(CC1)C)/C=N\O.Cl |
CN1C(=O)C(=CNC1=O)CCN.Cl |
CC(C)N1C=C(C=N1)[C@@H](C(=O)O)NC(=O)OC(C)(C)C |
COC(=O)[C@@H]1CC[C@H]([C@H](C1)F)Br |
CCOC(=O)C1(CCOC1)CO |
C1C[C@@H]2[C@](C1)(CCCN2)CO.Cl |
CS(=O)(=O)C1=C(N=C(C=C1)Br)N |
CC1=C(C=CC(=C1)Br)N=S2(=O)CCC2 |
B1(OC(C(O1)(C)C)(C)C)C=CCOC(=O)Cl |
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)F)N3[C@@H](CN(C[C@@H]3C)C(=O)OC(C)(C)C)C |
COC1=CC=C(NC1=O)C=O |
C1=CC(=C(C(=C1)F)NN)CO.Cl |
C1CC1C(=O)CCN.C(=O)(C(F)(F)F)O |
COC(=O)C1=C(C=C2C(=C1)C3=C(COC3)C(=N2)N)Cl |
C1CC1NC2=CC=CNC2=O |
CC(C)(CNN)C#N.Cl |
C1CC2CC(C1)(NC2)C(F)(F)F.Cl |
C1CC2CC(C1)(NC2)C(F)(F)F |
CCOC(C1=CC=C(C=C1)CN(C)C(=O)OCC)OCC |
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC2=C(C=C(C=C2)C(CNC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)[N+](=O)[O-])C(=O)OC)OC(=O)C |
CC(C)(C)OC(=O)NNCC(C)(C)C(=O)OC |
CC(C)(C)OC(=O)NNC(C)(C)CC(=O)OC |
CC(C)(C)OC(=O)N1CC2(C1)CC3(CC3)CNC2 |
C1COC(CN1)C(=O)C(F)F.O.Cl |
C1COC(CN1)C(=O)C(F)F |
CC(C)(C)OC(=O)NC(=NCC1=CC(=CC=C1)[Si](C)(C)C)NC(=O)OC(C)(C)C |
CC(C)(C)OC(=O)NNCC1(CC1)C(=O)OC |
CC1=NC(=CC2=CC=C(C3=CC=CC=C23)OC(=O)C)C(=O)O1 |
CC(C)(C)OC(=O)NNCC1(CC1)CO |
CC1(CCC2=CC(=C(N=C21)Br)Br)C |
CC1(CCC2=C(C(=CN=C21)F)Cl)C |
CC[C@H](C)[C@H]1C(=O)O[C@H](N1C(=O)OCC2=CC=CC=C2)C(C)(C)C |
C1CC12C(=O)NC(=N2)CC(=O)[O-].[K+] |
CN1CCCCC1CCC(=O)[O-].[Na+] |
CC(C)(C)OC(=O)N(C)N1CCC(C1)C2=CN(N=C2)C |
CC[C@H](C)[C@@](C)(C(=O)O)N.Cl |
C1C[C@@]2(C[C@H]1[C@@H]2C(=O)O)C3=CC=CO3 |
C1C[C@]2(C[C@H](CN2C1)O)C(=O)O |
C1C[C@@H](N[C@H]1C(=O)O)C(F)(F)F.Cl |
C1CN(CC1C2COC2)C(=O)OCC3=CC=CC=C3 |
C1CN(C[C@@H]1N)C2CCOCC2.Cl.Cl |
CC(C)(C)OC(=O)N1CCC(C1)(CCC(=O)O)C#N |
CC(C)(C)OC(=O)N1CCC[C@H]1C2=NOC(=C2)C(=O)O |
C1C2(CC1(C2)C(F)(F)F)C3=CC=C(C=C3)C(=O)O |
C1CC(CC2(C1)OCCO2)CN.Cl |
CC1CCC2(O1)CNC2.C(=O)(C(F)(F)F)O |
CC1CCOC2(C1)CCNCC2.Cl |
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