smiles
stringlengths 6
131
|
|---|
COCc1cc[nH]c1C(=O)N[C@H](CC(=O)N1CCC(CO)CC1)CC1CC1
|
COC(=O)Cc1ccccc1C(=O)NC[C@H]1C[C@@H]1NC(=O)CCc1cc(C)no1
|
Cc1ccccc1C1=NO[C@H](C(=O)NC[C@H](C)NC(=O)c2ncccn2)C1
|
C[C@H]1CN(C(=O)[C@@H](O)C(C)(C)C)C[C@H]1n1cc(CN2CCN(C)CC2)nn1
|
CCc1occ(C(F)(F)F)c1C(=O)Nc1cc(C)nc(CO)c1
|
CSC[C@H]1CCN(c2ccc3cc(S(=O)(=O)N4CS[C@@H](C)C4)ccc3n2)C1
|
CSCc1noc(CNC(=O)Nc2oncc2C2CC2)n1
|
Cn1cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCNC(=O)OC(C)(C)C
|
CCCSCC(=O)NC1CCC(C(=O)N2CCC[C@@H](COC)C2)CC1
|
Cc1c(NC(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)cnn1-c1ccc(F)cc1
|
C[C@@H]1C[C@@H](CNC(=O)[C@@H]2OCC2(C)C)CCN1C(=O)c1ccncc1F
|
C[C@@H]1C[C@H](NC(=O)c2cnc3c(c2)COC3)CCN1C(=O)c1cc(Cl)nnc1O
|
CC(C)CCSCC(=O)NC1(CNC(=O)[C@@H](C)N2CCCC2)CC(F)(F)C1
|
CCc1cc(C(=O)NCCCC[C@H](C)NC(=O)Cc2ccc(C)cc2Cl)on1
|
CCc1occc1C(=O)N1CCN(C2CN(C(=O)[C@H]3C[C@@H]3C(F)(F)F)C2)CC1
|
Cc1cc(Br)ccc1-n1nc(CCO)nc1Cn1cnc2sccc2c1=O
|
CC(C)[C@H](O)CC(=O)NC1CCN(CCNC(=O)[C@H]2CCC2(C)C)CC1
|
O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@@H](CO)CNC(=O)C[C@@H]1C[C@H]1C1CC1
|
CCCCCN=c1c(Br)cccn1C(=O)c1cc(-c2ccncc2)nn1C
|
O=C([C@@H]1C=CCCN1C(=O)C=Cc1cnccn1)N1CC[C@@H](OCCO)C1
|
Cc1n[nH]cc1CCCNC(=O)C1=CC[C@H](NC(=O)[C@H]2C[C@@H]2C(C)(C)C)C1
|
CSC[C@H]1C[C@@H](NC(=O)c2n[nH]cc2CNC(=O)c2cnc(O)c(F)c2)C1
|
O=C(Cc1noc2ccc(F)cc12)NC1C[C@H]2CN(c3ncns3)C[C@@H]2C1
|
Cc1cccc2nc(N3C[C@@H]4C[C@H](NC(=O)[C@@H](C)c5cccc(Cl)c5)[C@H]4C3)sc12
|
COC1(OC)CC[C@H]1NC(=O)NCCc1cc(C(F)(F)F)nn1C
|
C#CC[C@@H](C)C(=O)N1CCN(C(=O)CCC(C)(C)C(=O)OC)C[C@@H]1CO
|
CCNC(=O)C(=O)N[C@@H]1CCN(C(=O)Cc2n[nH]c(C)n2)[C@H]1Cc1ccccc1
|
CC[C@H](C)Oc1cc(N2CC[C@@H](NC(=O)C(=O)N=S(C)(C)=O)[C@@H](O)C2)nc(C)n1
|
O=C(NC[C@H]1CN(C(=O)CC[C@H]2CCOC2)CCO1)c1nn[nH]c1Cl
|
COc1ccc(O)cc1C(=O)N[C@@H](C)CN(C)C(=O)[C@@H]1CCc2nnc(O)n2C1
|
CCCCCCCN(C)c1nc2cc[nH]c2c(=NCC(C)(F)F)[nH]1
|
Nc1ccc(F)c(F)c1C(=O)N[C@@H]1CCCOc2c1ccc(Cl)c2Cl
|
CC(C)Cn1c(-c2ncc3cnccn23)nnc1N1C[C@@]23CC[C@]2(COC3)C1
|
CN1CCN(C(=O)CC[C@H]2CCOC2)[C@@H](CNC(=O)C(F)(F)c2nccs2)C1
|
CCc1cncc(C(=O)N2CC3(CC(CNC(=O)c4cccc(Cl)c4C)C3)C2)c1
|
CCc1cnoc1C(=O)N1[C@H](C(=O)NCCCc2nncs2)C[C@@H]2C[C@@H]21
|
Cc1cccc2c1C[C@@H](N[C@@](C)(c1nnnn1CCCF)C(C)C)C2
|
Cc1nc(C(=O)N2CCC3(CC2)C[C@H]3NC(=O)c2c(C)csc2Cl)n(C)n1
|
C#CCC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2cccc(CO)c2C)C1
|
CC[C@H](C(=O)N1CCOC[C@]2(COCCN2C(=O)c2ccc(F)s2)C1)C(C)C
|
CC=C(CC)C(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1cccn1CC
|
C[C@H]1C(=O)N(CC(=O)NC/C=C/CNC(=O)c2cnc(N)c(CO)c2)C(=O)[C@@H]1C
|
CCOC1CC2(C1)C[C@H]2C(=O)N(CC)CCNC(=O)c1noc2c1CCCCC2
|
CN1CC[C@@H]1C(=O)N1CC([C@H](O)C(=O)NCC2(O)CC=CC2)C1
|
O=C(NC1C2CCC1CC2)N[C@H]1C[C@H]2COC[C@H](C2)C1
|
CCN(C(=O)c1ccnn1C)C1CCN(C(=O)c2cc(Br)no2)CC1
|
CN(CCCCCNC(=O)CC1CC2(CC2)C1)C(=O)[C@H]1CCS1(=O)=O
|
C[C@@H]1CCN(C(=O)C[C@H]2COCCN2C)CCN1C(=O)c1cn(CC2CC2)nn1
|
CCc1c(OC)cccc1C(=O)N(C)[C@H](C)CCNC(=O)c1cnn(CC)c1
|
CC[C@@H]1CN(C(=O)[C@@H]2CCCCC2(F)F)CC[C@@H]1NC(=O)CCC[N+](=O)[O-]
|
CC1CCN(CC(=O)NC2C[C@@H]3CN(C(=O)CSc4cccs4)C[C@H]3C2)CC1
|
Cc1nnnn1CC(=O)N1CC(O)(C2CCN(C(=O)[C@@H](C)[C@@H](C)O)CC2)C1
|
CCN(C(=O)[C@@H](C)C1CC1)[C@H](C)CNC(=O)c1cnc2n(c1=O)CCS2
|
CCCC[C@@H](CNC(=O)[C@@]12CC[C@@H](C1)O[C@@H]2C)NC(=O)COCCC
|
CC(C)[C@@H](CCS(C)(=O)=O)Nc1cc(C(N)=O)cc(C(N)=O)c1
|
O=C(c1c(O)cccc1F)N1CCC(CCNC(=O)C2(c3cc[nH]n3)CC2)CC1
|
C[C@H]1CCO[C@H](C(=O)NC[C@@]23C[C@@H](CO2)N(C(=O)c2ccc(CO)nc2)C3)C1
|
Cc1csc(C(=O)N[C@]2(C)C[C@@H](NC(=O)[C@@H]3CC[C@@H](C)O3)C2)c1
|
C#CCCN1CCN(C(=O)[C@H]2CN(C(=O)[C@H](C)NC(=O)OC)CCO2)CC1
|
O=C1CCCN1CCNC(=O)[C@]12CCN(C(=O)Cc3cnsc3)CC[C@@H]1C2
|
C[C@H](c1nncn1C)N1CCO[C@@H](CNC(=O)c2cc(C(F)F)n(C)n2)C1
|
COC1(C(=O)NCc2cc(C(=O)NCc3ccccn3)no2)CCC1
|
C#Cc1ccc([C@H](C(=O)NC(C)C)N(C)c2cnn(CC)c2)cc1OC
|
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[C@H]2C)CCCN1C(=O)[C@H]1CCC2(CC2)C1
|
CC[C@@H](CC(F)F)C(=O)NC[C@]1(F)C[C@@H](NC(=O)CCCOC(C)=O)C1
|
CCc1nc(C(=O)NC[C@@H](CNC(=O)c2ncoc2C(C)C)OC)cs1
|
Cc1cc(C(=O)N2CCC[C@@H]2C2(NC(=O)[C@@H](C)CN(C)C)CC2)ccc1F
|
COc1n[nH]c(NC(=O)[C@@H]2CN(Cc3ccc(C(=O)O)s3)CCC2(F)F)c1C#N
|
C[C@H](NC(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@H]21)[C@@H]1CCCNC1
|
CNC(=O)CCC(=O)N[C@H]1C[C@H](CNC(=O)C(C)=Cc2cccnc2)C1
|
CCN1CCC[C@@H](C(=O)N[C@H](C)CN(C)C(=O)c2ccc(CSCCOC)o2)C1
|
CC(C)n1nccc1C(=O)N1CCOC[C@H]1CN(C)C(=O)C1(Br)CC1
|
CC[C@@](C)(CNC(=O)CC1CC=CC1)NC(=O)CNC(=O)N1CCCC1
|
CN(C(=O)[C@@H]1CC[C@H]2CCCCN12)C1CCN(C(=O)c2cc(F)cc(F)c2)CC1
|
C=C(C)C(C)(C)C(=O)N1CCC(N(CC2CC2)C(=O)c2snc(O)c2Cl)CC1
|
COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCCCN2C(=O)[C@@H](O)CC(C)(C)C)O1
|
COC(=O)/C=C/[C@@H]1CC[C@@H](N[C@H](c2ccc(F)cc2)c2nccn2C)C1
|
O=C(NCCN=c1[nH]ccc2cc(Br)ccc12)c1ccco1
|
C[C@@H]1CC[C@H](C(=O)N2CC[C@@](C)(F)C2)CN1C(=O)C=CCO
|
COc1ccccc1Cn1cc(C[C@@H]2CCN(C(=O)CO[C@@H]3CCOC3)C2)nn1
|
CN(C(=O)c1ccc(S(C)(=O)=O)o1)C1CN(C(=O)c2ccnc3[nH]nnc23)C1
|
Cc1ccoc1CN[C@@H](c1c[nH]ccc1=O)c1nnnn1C[C@@H]1CCCO1
|
CC(C)CC(CC(C)C)NC(=O)C[C@H](C)CNC(=O)CC1(N(C)C)CC1
|
O=C(CCc1cnccn1)NC1(C(=O)N[C@@H]2CN3CCC2(F)CC3)CCOCC1
|
CO[C@]1(C(=O)NC[C@@H](NC(=O)c2coc(O)n2)c2ccc(F)cc2F)CCSC1
|
CCS[C@H](C)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ncn(C)n1
|
CC[C@@H](O)C(F)(F)C(=O)NC[C@@](C)(NC(=O)Cc1cnn(C)n1)C1CC1
|
O=C(CCCC(F)(F)CO)NC[C@H]1CCN1C(=O)c1cnc2ccccn12
|
CO[C@@H](CNC(=O)[C@@H]1[C@H](O)CCN1C(=O)c1csnc1C)C1CC1
|
CCCN(C)CC(=O)NC[C@H]1CN(C(=O)C[C@@H]2CCOC2=O)C2(CCC2)C1
|
CC[C@@H](CNC(=O)C(=O)N(C)C)NC(=O)c1ncc[nH]c1=O
|
CN1CCC(C(=O)N(C)CCCNC(=O)c2cnc(OCC(F)F)c(Cl)c2)CC1
|
Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(=N)o2)CCO1
|
C=C=C[C@@H](C)C(=O)NC[C@]1(O)CCN(C(=O)CCCCC#Cc2ccccc2)C1
|
Cc1nc(CNC(=O)c2ncccn2)oc1C(=O)N[C@@H](C)Cn1cccn1
|
C[C@@H]1CCCC[C@@]1(CNC(=O)c1cccn1C)NC(=O)C1CCCC1
|
C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@](CO)(CNC(=O)[C@@H]2CN3CCC2CC3)C1
|
CCc1[nH]nc(C(=O)N2CC[C@@]2(C)CC(=O)NC[C@H](O)c2cccnc2)c1C
|
COc1c(C(=O)N2[C@H](CNC(=O)C=Cc3cn(C)cn3)C[C@@H]3C[C@@H]32)ccnc1F
|
CCn1nnc(C)c1C(=O)NC1CCC(CNC(=O)[C@H](CC(C)C)N(C)C)CC1
|
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