smiles
stringlengths 6
131
|
|---|
CC[C@H](CC(F)F)C(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@H](C(F)(F)F)C1
|
CCCC=CC(=O)N[C@H]1CN(C(=O)[C@H]2C[C@@H](C(=O)OC)C2)C[C@H]1C1CC1
|
CNC(=O)CCCCC(=O)N[C@@H](CNC(=O)Cc1cnsc1)CC(C)C
|
C[C@]1(C(=O)NC23CC(C2)C3)CCCN(C(=O)CC[C@H]2CCCCO2)C1
|
C[C@@H]1CC[C@@H](NC(=O)c2ncnc(O)c2F)CN1C(=O)c1cc(F)c[nH]1
|
CC(C)(CNC(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21)NC(=O)c1cc2cscc2s1
|
C=C[C@]1(C(=O)NC[C@@H]2CC[C@H](C)C2)CCN(C(=O)c2cnnn2C)C1
|
CCCC(=O)NC[C@@H]1CC[C@H](NC(=O)C2(Cc3cccc(Cl)c3)CCCCC2)C1
|
CC(C)(C(=O)NC[C@@H](O)CO)[C@@H]1CCCN1C(=O)[C@H]1COC[C@H]1C(N)=O
|
CO[C@H](C(=O)OCc1cc(C)ns1)[C@@H]1CCC(F)(F)C1
|
C[C@H](O)COc1cccc(-c2noc([C@@H]3CCOc4ccccc43)n2)c1
|
COCc1cc(C(=O)N(C)[C@@H]2CC[C@@H](NC(=O)CSCc3ccccc3)C2)n[nH]1
|
Cc1sc2c(Br)cccc2c1C(=O)O[C@@H](C)C(=O)C(F)(F)F
|
C=CCOCC(=O)N1CCC[C@](O)(CNC(=O)[C@H]2CCc3c(cnn3C)C2)C1
|
CC(C)C[C@H](C(=O)NC1CCC2(CC1)CCN(C(=O)C1C[C@H]3C[C@@H]3C1)C2)C(C)C
|
C[C@H](F)CCNC1(c2nnnn2C2CCC(F)(F)CC2)CCC(C)(N(C)C)CC1
|
CCC[C@@H]1CN(C(=O)c2c(C)nsc2N)CCN1C(=O)c1cccc(C(C)C)n1
|
CC1(C)C[C@H]1CCN1CCC[C@@H](Oc2ncccc2F)C1
|
COC(=O)C[C@H](C)CC(=O)N[C@@H]1C[C@H](C(=O)N(C)Cc2cnc[nH]2)C[C@H]1O
|
CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(C(=O)CN3CCN(C(C)=O)CC3)[C@@H]2C1
|
COc1cncc(C(=O)N2CCC3(CCN(C(=O)c4n[nH]cc4Br)CC3)C2)c1C
|
Cc1cc2c(C(=O)N3CCCC[C@H](NC(=O)Cc4ncoc4C)C3)nccn2n1
|
CCO[C@H](C(=O)N1CCC[C@](O)(CNC(=O)CCC(F)F)C1)C1CC1
|
C[C@H](Cc1ccc(F)cc1)C(=O)N1CC[C@]2(CCCN2C(=O)c2cc(Cl)ns2)C1
|
COc1ncc(C(=O)NC[C@H]2C[C@H](F)CN2C(=O)[C@@H](C)Cc2cnn(C)c2)cn1
|
Cc1ccc2c(c1)CN(S(=O)(=O)c1cc(C)cnc1N[C@H](C)C(C)C)CC2
|
CC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@H](NC(=O)C(F)(F)C2CCOCC2)C1)C(C)C
|
CC1CC(CC(=O)N2CC[C@@H]2CNC(=O)C2(c3ccc(Br)cc3F)CC2)C1
|
CCCC(=CC(=O)NC1CCC2(CC1)CN(C(=O)C1=CCC1)C2)CCC
|
C[C@@H](COC(C)(C)C)C(=O)N1CCCC[C@@H]1C(=O)OCc1ccccc1
|
CCCCC[C@H](O)CC(=O)NCCC1CC(C(=O)N(C)C2CN(C3CC3)C2)C1
|
O=C(c1ccc(CO)cn1)N1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2
|
C[C@@H](C(=O)N1CC[C@H](NC(=O)COc2ccc(O)cc2)[C@@H]1C)N1CCCCC1=O
|
Cc1oc(C(C)C)nc1C(=O)N[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)[C@@H]2CCCC[C@H]12
|
CCC(C)(C)C(=O)N[C@@H]1CC[C@H]2CCN(C(=O)CCO[C@@H]3CCOC3)[C@H]21
|
CCCCCC[C@H](F)C(=O)NCCC(CC)(CC)NC(=O)CC(CCC)CCC
|
CC(C)=C(C)C(=O)N1CCc2[nH]nc(CNC(=O)CCCC3CCOCC3)c2C1
|
CO[C@H](CNC(=O)C1(NC(=O)CN2CCCNC2=O)CC(F)C1)C(F)(F)F
|
CCC[C@H](C(=O)NCCCCCCN(C)C(=O)c1ccc([N+](=O)[O-])nc1)N(C)C
|
CCO[C@@H]1CN(C(=O)[C@@H](CC)C(C)C)C[C@H]1CNC(=O)c1ncsc1C(C)C
|
COc1c(F)cccc1C(=O)NC1CN(C(=O)c2c[nH]c(C)c(Cl)c2=O)C1
|
Cc1ccc(F)c(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)N[C@H](C)c2ccsc2)n1
|
CN(C(=O)[C@@H]1CN(C(=O)c2ccc(=N)[nH]c2)CCO1)C1CC1
|
CC1(C)[C@H](NC(=O)c2cccc3cc(F)ccc23)CCN1C(=O)Cc1csnn1
|
CC(C)N(CCC(=O)NCc1ncccc1Cl)C(=O)c1cn(C)nn1
|
C[C@@H](C(=O)NC[C@]1(C)CCCN1C(=O)CN1CCS(=O)(=O)CC1)c1ccc(Cl)s1
|
CC(C)Oc1ncc(C(=O)N2CCC[C@]3(CCC(=O)NC3)C2)cc1Cl
|
O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCC(C2(C(F)F)N=N2)CC1
|
CCCc1ccc(CC(=O)N(C)CCNC(=O)CNC(=O)OC(C)(C)C)cc1
|
C=C(C)COCC(=O)N1CC[C@H]2CN(C(=O)[C@H]3COCCN3CC(F)F)C[C@H]2C1
|
C#Cc1cccc(CC(=O)N(C)C2CCN(C(=O)Cc3ccco3)CC2)c1
|
CCc1ncncc1C(=O)NC[C@H](NC(=O)C(C)=Cc1ccco1)C1CCC1
|
CCC(CC)(OC)C(=O)NC[C@H](CNC(=O)c1ccn2nccc2c1)S(C)(=O)=O
|
C[C@@H](CC(=O)N[C@H](C)CCNC(=O)[C@H]([C@H](C)O)N(C)C)c1cccc(F)c1
|
CCC[C@@H](CC)CC(=O)N1CCCO[C@H](CNC(=O)c2coc(OCC)n2)C1
|
CC(C)[C@@H](CC(=O)N1C[C@@H](O)C[C@]1(C)CO)NC(=O)c1cnc(C2CC2)o1
|
C=C[C@H](C)C(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1[nH]nc2cnccc12
|
FC1(F)C[C@@H]1[C@H]1CN(Cc2nc(-c3ccc(Br)s3)no2)CCO1
|
CCN(C)CC(=O)NCC(C)(C)CN(C)C(=O)C(C)(C)c1cnccc1C
|
CC1(C)CCC(C(=O)NCCN2CCN(C(=O)c3cnc(C4CC4)o3)CC2)CC1
|
CCCCCCNC(=O)CC1CCC(NC(=O)c2ccnc(O)c2F)CC1
|
CCOCCCC(=O)N[C@H]1CO[C@]2(CCN(C(=O)Cc3cnccc3C)C2)C1
|
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]2CN(C(=O)c3nn[nH]c3Cl)C[C@H]21
|
CCC(F)(F)CC(=O)N[C@]1(CF)CCN(C(=O)c2cnc[nH]2)C1
|
Cc1ccoc1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1
|
CC(C)c1noc(CCCC(=O)N[C@H]2CC[C@H](C)N(C(=O)CC(C)(C)C#N)C2)n1
|
C#CCCCCCCNC(=O)c1cc(CCNC(=O)C[C@H]2CCC[C@H](O)C2)on1
|
CN(CCNC(=O)C[C@@H]1CCCCN1C(=O)C[C@@H]1CCCC12CC2)CC(F)F
|
COc1cc(C(=O)N2CCN(C(=O)[C@@H](C)OCC(C)C)[C@H](C)C2)cnc1C
|
CSc1cscc1C(=O)N1CC[C@H](NC(=O)[C@@H]2CC[C@@H]2c2nc[nH]n2)C1
|
COC(=O)C[C@H](C)NC(=O)c1n[nH]c2ccc(-c3ccc4ccncc4c3)cc12
|
CCCN(CCCNC(=O)[C@@H]1CCc2scnc21)C(=O)CN(C)S(N)(=O)=O
|
CCn1nc(C)cc1C(=O)N1[C@H](C(=O)Nc2ccc(Br)c(C)c2F)C[C@@H]2C[C@H]21
|
CCCCN(C)[C@@H](CC[C@H]1C[C@H]1C)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
|
CC(=O)NCC(=O)N[C@@H](C(=O)N(C)[C@H]1CCN(C)C1)C(C)C
|
CN(C(=O)c1cccc(F)c1)[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1
|
Cc1c(N)ccc(C(=O)N2CC[C@](F)(CNC(=O)[C@H]3CCC(=O)N3C)C2)c1Cl
|
C#CC[C@H](CC(=O)Nc1ccc2c[nH]nc2c1)NC(=O)C1COCOC1
|
Cc1cccc2c1O[C@H](C(=O)N(C)CCCNC(=O)C=CSc1nc[nH]n1)C2
|
O=C(c1n[nH]c(C2CC2)n1)N1CCC([C@H]2CCN(C(=O)C34CC(C3)C4)C2)CC1
|
Cc1ccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2Cc2cnnn2C)s1
|
C#CC[C@]1(O)C[C@@H](C(=O)N(CCC)C2CCN(C(=O)[C@H](CC)CC(C)C)CC2)C1
|
CN(Cc1cnn[nH]1)C(=O)CCCCCNC(=O)c1cccn2cncc12
|
CC(C)(C(=O)N1CC(n2cc(CN3C[C@@H]4C[C@H]4C3)nn2)C1)c1cccc(F)c1
|
C#Cc1ccc(C(=O)N(C)CCCN(C)C(=O)C23CC(F)(C2)C3)c(F)c1
|
NS(=O)(=O)CCC1(C(=O)N2CC[C@@H](NC(=O)Cc3cc[nH]n3)[C@H](CO)C2)CCC1
|
CC=CC(=O)NCC[C@@H](O)CNC(=O)c1coc(Cl)c1
|
C[C@@H](NC(=O)c1nn(-c2ccccc2)c2c1CCCCC2)c1ncc(C(=O)O)s1
|
C=C(C)CC(=O)N1CC[C@@H]1CNC(=O)c1c(C)sc(C)c1C
|
C=CC[C@@H](CNC(=O)[C@H]1COCCC1(F)F)NC(=O)C1(OC)CCC1
|
O=C(NC[C@@H]1OCCc2ccccc21)N1CCO[C@]2(CCS(=O)(=O)C2)C1
|
CC(C)[C@@H]1CN(C(=O)c2ccc3c(n2)CCCC3)CCCN1C(=O)[C@H](C)O
|
CC(C)(C(=O)N1CC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@H](F)C1)c1ccno1
|
CCN(CCCNC(=O)C(F)=C1CCC1)C(=O)c1ccc(C(=O)NC(C)C)cc1
|
C=C[C@](C)(O)CC(=O)N[C@]1(C(=O)N2CCOC[C@@H]2COC)CCN(C)C1
|
COCc1ccc(C(=O)N2C[C@H](F)[C@@H](N(C)C(=O)C3CC(F)(F)C3)C2)[nH]1
|
CC1(C)[C@@H](NC(=O)C2CC2)CCN1C(=O)CCCNC(=O)[C@H]1CC=CCC1
|
CC1(C)CO[C@@](C)(C(=O)NC[C@H]2CN(C(=O)Cc3cccnc3)CCCO2)CO1
|
COC(=O)CC(=O)NC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(NC(C)=O)cc1
|
O=C(C=C[C@@H]1CCOC1)N[C@H](C(=O)NC1CC2(CNC(=O)O2)C1)C1CC1
|
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