smiles
stringlengths 6
131
|
|---|
COC(=O)[C@H](C)C(=O)N(C)[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)N(C)C)C1
|
C[C@H]1CCCN(C(=O)[C@H](C)N(C(=O)C(=O)C2CCOCC2)C2CC2)CC1
|
C[C@@H](CC1CN(C(=O)[C@H]2CCC(F)(F)[C@@H]2O)C1)NC(=O)CN1CC(C)(C)C1
|
CCCCC(=O)N1CC[C@H]2CCCN(C(=O)CCc3cc(OC)no3)[C@@H]2C1
|
CC(C)[C@@H](CCO)NC(=O)[C@@H]1CSCCN1C(=O)Cc1ccc2c(c1)CCC2
|
COCC[C@H](CNC(=O)c1cc(F)cc(C(F)F)c1)NC(=O)C=CCO
|
CC(=O)N(C)CC(=O)N[C@H]1C[C@](C)(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1
|
CC[C@H](CNC(=O)C1(OC)CC(C)C1)NC(=O)Cc1nc([N+](=O)[O-])n[nH]1
|
CC(C)c1ccc(OCC(=O)N[C@H](C)CNC(=O)c2cn(C)nc2C(C)C)cc1
|
CC(C)NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2O)[C@@H](C2CC2)C1
|
CS(=O)(=O)SCC(=O)NCC1=NO[C@H]2CN(C(=O)c3cncc(C(N)=O)c3)C[C@@H]12
|
CCO[C@H](C)CN=C(NC1CC1)N[C@@H]1CC(C)(C)Oc2ccccc21
|
Cc1cc(CC(=O)N[C@@H]2CN(C(=O)[C@@H](O)CCC(C)C)CC23CCC3)n(C)n1
|
C=C[C@@H]1CC[C@H]1C(=O)NC(C)(C)CNC(=O)Cc1nn(CC)cc1Br
|
C[C@@H](NC(=O)CN(C)CCO)[C@@H]1CCCN1C(=O)[C@@H]1CCc2nc(O)[nH]c2C1
|
CN(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C2(CCC2)C1)C(C)(C)C
|
CC[C@@](C)(CNC(=O)c1ncccc1Cl)NC(=O)[C@H]1CC[C@]2(CC1)CC2(F)F
|
CCSCC(=O)N1CC[C@@H](C)[C@@H]1CNC(=O)Cc1c(O)ncnc1O
|
Cc1cnn(C(C)C)c1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2CNC(=O)C(F)(F)[C@@H](C)O
|
CO[C@H](CO)C(=O)N(C)C1(C(=O)NC[C@]23CCC[C@H]2CCO3)CC1
|
CN(CC(F)F)C(=O)[C@H]1COCC[C@@H]1NC(=O)C12CCC(CC1)CC2
|
N#CC1(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)N2C(=O)c2cccc(C(F)(F)F)n2)CCC1
|
CN(CCCN(C)C(=O)[C@]12CC[C@@H]1C2)C(=O)c1cccnc1-n1cccn1
|
Cc1cc(C(F)F)oc1C(=O)N[C@@H]1CCN(c2ccnc(CO)n2)C[C@@H]1O
|
CC(C)[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C(=O)NCc1ccncc1Cl
|
CSCC(=O)N[C@@H](CNC(=O)[C@H]1CCCC12CC2)c1cccc(Cl)c1Cl
|
COc1ccc(C(=O)NC[C@]23C[C@H]2CN(C(=O)CSC)C3)c(OC(F)F)c1
|
CCCOCCCNC(=O)[C@H](OC)C(=O)OC(C)(C)C
|
CNC(=O)CCCCN(C)C(=O)[C@H]1CN(C(=O)[C@H]2CCCCO2)CCO1
|
CC(=O)OCCc1cn(-c2ccc(N3CCNC(=O)C3)cc2)nn1
|
CC(=O)CCN=C(NCC[C@@H]1CCCS1)NCc1c(F)cccc1Br
|
COC[C@](C)(O)C(=O)NC[C@@H](CC(C)C)C(=O)N1CC[C@H](C)C1
|
C#CCCCC(=O)N[C@H](CNC(=O)c1cccc(C(C)C)n1)c1ccccc1F
|
CC1=NN(C)C(=O)[C@@H]1CC(=O)NCCCCN(C)C(=O)C=Cc1ccc(F)cc1
|
O=C(N[C@@H](CO)C1CCN(C(=O)CCc2ccoc2)CC1)c1cnco1
|
Cc1noc(CCC(=O)NCC2(C)CCC(NC(=O)C[C@H](C)C(C)C)CC2)n1
|
CC1(C)CCC[C@@H]1[C@H](C(=O)NCCCF)N1C[C@@H]2CCC[C@H]21
|
CC[C@@H]1[C@H](C(=O)N2CC(COC)C2)CCCN1C(=O)c1nc[nH]n1
|
C[C@H](NCc1ccc(-c2ccccc2)[nH]1)c1nccs1
|
CC[S@](=O)CC(=O)NC[C@@H](NC(=O)CCc1ccc(C)c(C)c1)C1CCCCC1
|
C=CCC[C@H](NC(=O)C1=CCCSC1)C(=O)N1CCN(C)[C@H](CC)C1
|
COC(=O)C1(C(=O)N(C)C[C@H]2CCCN2C(=O)c2ncc(C3CC3)cc2F)CC1
|
CCCC[C@H](O)CC(=O)NCC(C)(C)CNC(=O)[C@@H]1CCN(c2nccn2C)C1
|
CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1
|
CN(CCCCCO)C(=O)[C@](C)(CO)NC(=O)c1cccc(CC#N)c1
|
C[C@H]1CN(C(=O)C[C@@H](C)C2CC2)CC[C@H]1NC(=O)CCOc1ccccc1
|
CNC(=O)C1(C(=O)N(C)CCOCCC(=O)NCC2(CCOC)CC2)CC1
|
O=C(NCC1(CCO)CC1)c1cccnc1CNC(=O)[C@@H]1C[C@H]1F
|
O=C(N[C@H]1CC(F)(F)C[C@H]1NC(=O)[C@H]1CCCOC1)c1ccc(F)cc1Br
|
C=C[C@@H](C)[C@H](C)C(=O)NCC1(CO)CCN(C(=O)CCC(N)=O)CC1
|
C[C@H]1CN(C(=O)CN=S(C)(C)=O)CCN1C(=O)[C@]1(F)C[C@H]1c1ccccc1
|
CC#CCNC(=O)/C=C/CNC(=O)[C@]12CCC[C@H]1C2
|
COc1cccc(CNC[C@H]2CCCCN2C(=O)c2ncn(C(C)C)n2)n1
|
CCOC(=O)[C@]1(C)C[C@H]1C(=O)N1CCN(CCNC(=O)c2c(Cl)cnn2C)CC1
|
CC[C@H](CC(=O)N1CC(O)(C2CCN(C(=O)[C@H](C)N(C)C)CC2)C1)C1CC1
|
Cc1[nH]c(C)c(C(=O)N2CC(CCCCNC(=O)[C@@]34CC[C@@](C)(CO3)C4)C2)c1C
|
CCCCCC(=O)N1CC[C@@H](CC(=O)NC[C@H]2CCOC2=O)C1(C)C
|
COc1ccc([C@@H](C(=O)NC(C)(C)C)N2C[C@H]3CSC[C@@]3(C)C2)cc1Cl
|
CSc1cscc1C(=O)N1CC[C@@]2(CCCN2C(=O)Cc2cc[nH]c2)C1
|
O=C(N[C@H]1CCCN(C(=O)c2cscc2Cl)C1)c1cncc2n[nH]cc12
|
CSC(C)(C)CC(=O)N1CC(C)(C)OC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)O1
|
CC(=O)OC(C)(C)C(=O)NC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1ccc(C)n1
|
C[C@@](CNC(=O)C1(CC2CC2)CC1)(NC(=O)COCCc1ccccc1)C1CC1
|
Fc1cc(F)c2[nH]c(=NCC3(F)CC3)nc(N3C[C@@H](F)C[C@@H](F)C3)c2c1
|
CC[C@@H](O)Cn1cc(CN[C@@H](C)c2ccc(Oc3ccccc3)cc2)nn1
|
CCc1ncc([C@H](C(=O)NC[C@@H]2CCOC2)N(C)Cc2ccc(Cl)o2)cn1
|
CC(C)CC(=O)N1C[C@@H]2C[C@H](NC(=O)c3coc4c3C(=O)NCCC4)[C@H]1C2
|
COc1ccccc1[C@H](C)N(C)c1nnc([C@H]2CCCC(=O)N2)n1CC1CC1
|
O=C(N[C@@]12CCCN(CC1)C2)[C@H]1CC12CCN(C(=O)c1cc(O)cs1)CC2
|
C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](N(C)C(=O)c2ccc(C(F)F)cn2)CC1
|
CC(C)c1ncc(Cl)c(C(=O)N[C@@H](C)[C@@]2(O)CCN(C(=O)CCCC#N)C2)n1
|
O=C(N[C@@H]1CCN2CCC[C@@H]12)C1=NO[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
|
C=C(C)C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)OCC)C(=O)NCC1(CC(N)=O)CC1
|
CC[C@@H](CCOC)C(=O)N1C[C@H]2C[C@@H](CN(C(=O)c3nnn4ccccc34)C2)C1
|
CCc1ccccc1CN=C(NC1CC1)NC(C)(C)CCN1CCN(C)CC1
|
C=CCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)CCN2CCC(N(C)C)CC2)C1
|
C[C@H](CCNc1ncccc1S(=O)(=O)N1CCC[C@@H](O)CC1)CC(C)(C)C
|
C[C@H](CCNC(=O)c1nsnc1O)N(C)C(=O)[C@@H]1CCCCN(C)C1=O
|
CC1(NC(=NCCC(C(F)(F)F)C(F)(F)F)NCCF)CCC1
|
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2C[C@H](C)[C@H](NC(=O)C(C)(C)CO)C2)cc1
|
CSc1ccc(C)c(C(=O)N2CC[C@H](N(C)C(=O)c3cncnc3C)C2)c1
|
C=CC[C@H](CNC(=O)[C@H](C)Oc1cccc(C)c1C)NC(=O)CCCCC
|
Cc1nc(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3n[nH]c4c3C[C@@H](C)CC4)C2)c(C)s1
|
CC(C)(C)OC(=O)[C@@H]1[C@H](C(=O)N2C[C@H]3[C@H](CNC(=O)c4cnsn4)[C@H]3C2)C1(C)C
|
CSc1cncc(C(=O)NCCOCCNC(=O)c2cnc(C3CC3)s2)c1
|
Cc1ncsc1C(=O)N[C@@H]1CC[C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])c3)[C@H]1C2
|
CCCC[C@@H](C)C(=O)N1CCCCC[C@@H](NC(=O)c2cccc(=S)n2O)C1
|
CCCCCC[C@@H](C)C(=O)NC(C)(C)[C@H]1CCCN1C(=O)c1cc(C(C)=O)on1
|
C[C@@H]1C[C@@]1(F)C(=O)N1CC[C@H](CN(C)C(=O)C2(CS(C)(=O)=O)COC2)C1
|
CC(C)[C@H](O)C(=O)N1C[C@@H]2CN(C(=O)c3cc(C4CC4)oc3C3CC3)C[C@]2(C)C1
|
C[C@@H](C#N)C(=O)N(C)CCOCCC(=O)N(C)C1CCCC1
|
Cn1ccnc1CCC(=O)N[C@@H]1CN(C(=O)/C=C/c2ccc(F)c(Cl)c2)[C@@H]2C[C@@H]12
|
Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)C[C@@H]2CCCCO2)nc1O
|
CN(C)C[C@@H](CO)NC(=O)C[C@H]1CCC[C@@H]1NC(=O)[C@@H](O)c1ccsc1
|
CC[C@H](CNC(=O)CSc1cnn(C)c1)NC(=O)Cc1coc2cc(O)ccc12
|
CSc1ncc(CNC(=O)CN(C)Cc2cccc(Cl)c2)s1
|
CNC(=O)N1CC(C(=O)N2CC(CNC(=O)CO[C@@H]3CCOC3)(C(N)=O)C2)C1
|
Cn1cc(C(=O)N2C[C@@H](F)C[C@H](NC(=O)[C@@](C)(O)Cn3ccccc3=O)C2)nn1
|
CN=c1nc(N2CCC(F)(F)[C@@H](F)C2)[nH]c(=NCCNC(=O)C2CC2)[nH]1
|
C[C@H]1CN(C(=O)CSC2CC2)C[C@@H]1CC(=O)N[C@@H]1CCN(C)C1
|
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