smiles
stringlengths 6
131
|
|---|
Cc1sc(C(=O)N2CC[C@@](CO)(NC(=O)C3=NO[C@@H](C)C3)C2)nc1Br
|
C[C@H]1OC2(CO)CC1(C(=O)N[C@@H]1CN(C(=O)c3cc(Cl)c(N)c(Cl)c3)C[C@@H]1F)C2
|
CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CCCNC(=O)C1CCC1
|
Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3nc4c(s3)CN(C)CC4)[C@H]2C)c(O)c1
|
CCc1nc(C)c(C(=O)N2CC[C@@](CF)(NC(=O)c3ccnnc3Cl)C2)c(C)n1
|
CC[C@@H](CCOC)NC(=O)COC1(C)CN(C(=O)[C@@]2(C#N)CCCOC2)C1
|
COc1ccc(C(F)(F)C(=O)Nc2ccc3nscc3c2)cc1
|
CN(CC=CC(=O)N[C@H]1CN(C(=O)C(N)=O)CCc2ccccc21)CC(F)(F)F
|
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](CO)C2(CN(C(=O)C3CC3)C2)C1
|
CC(C)C1(CN[C@]2(c3nnnn3C3CCC3)CCCS[C@H]2C)CCCC1
|
NC(=O)[C@@H]1CC=CC[C@H]1NS(=O)(=O)c1ccc(-c2ccccc2F)cc1
|
CCCCCOCC(=O)N[C@]1(C(=O)N2CC=C(C(C)(C)C)CC2)CCC[C@H]1C
|
Cc1cc(C(=O)N2CC[C@@H](C)[C@H]2CNC(=O)CC2(n3ccnc3)CC2)sc1Cl
|
CCCC1(C(=O)N2C[C@@H](NC(=O)CCc3cccc(O)n3)C(C)(C)C2)CC1
|
CC[C@@H](C)[C@H](OC)C(=O)N1CCC(C)(CCNC(=O)CCC(C)(C)N(C)C)CC1
|
CN(C[C@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)CCO1)C(=O)c1ccc(O)nn1
|
CN(C[C@@H]1CN(C(=O)c2ccc3ocnc3c2)CCO1)C(=O)C=Cc1cc[nH]n1
|
Cc1csc(C(=O)N2CCN(C(=O)CCOCCOCCCO)C[C@@H](O)C2)c1Cl
|
CC(C)N1N=C(C(=O)N2CC(OCCNC(=O)[C@@]3(F)CCOC3)C2)CCC1=O
|
C=C[C@@H](C)[C@H](C)C(=O)NCCOC(C)(C)CNC(=O)c1ccc(C)cc1Br
|
CN(C)[C@H](CO)C(=O)N1CC[C@H](CNC(=O)CCc2ccn(C)n2)C(F)(F)CC1
|
C[C@@H](CNC(=O)[C@@H]1CCc2nnn(C)c2C1)NC(=O)CCC(C)(C)C#N
|
C=CC/C=C/CCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cccc(NC(C)=O)n1
|
C[C@H](C(=O)N1CC2(CO[C@H](CNC(=O)c3cc(Cl)n(C)n3)C2)C1)N1CCOC1=O
|
O=C1CC(C(=O)N[C@@H]2CCC[C@H](CN=c3cc(C4CC4)nc[nH]3)C2)CC(=O)N1
|
COCCn1ccc(C(=O)NC[C@@H](NC(=O)Cc2cn3ccsc3n2)C(C)C)n1
|
CC1(NC(=O)[C@@H]2C=CCS2)CCN(C(=O)[C@H]2C[C@H](n3ccnn3)C2)CC1
|
Cc1ccncc1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC12CCCCCC2
|
CCC[C@@]1(C)CCN1C(=O)C[C@H]1CN(C(=O)c2cn(CC)cn2)CC12CC2
|
CC1(C)OCCO[C@H]1CNc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1
|
C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CN(C(=O)C(C)(C)CO)CC2(CCC2)O1
|
C[C@H](C(=O)NC1CCCC1)N1CCC(=C2C(=O)Nc3ccccc32)CC1
|
CN(C(=O)c1sccc1F)[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)nc2)C1
|
Cc1nc(-c2ccccc2)c(C(=O)N[C@H]2C[C@@H](CCNC(=O)c3ccsn3)C2)s1
|
Cc1csc(CCCC(=O)NC[C@@]2(O)CCCN(C(=O)[C@H]3C[C@@H]4C[C@@H]4C3)C2)n1
|
COC(CCCC(=O)NCCc1cn(-c2ccc(F)cc2)nn1)OC
|
O=C(N1CCN(Cc2cc(I)ccc2O)C[C@@H]1CO)[C@]1(F)CCCC=C1F
|
O=C(CCF)NC[C@H]1CCC[C@@H]1NC(=O)CC(F)(F)Br
|
Cc1ncc(C(=O)N2C[C@H](CNC(=O)C(F)(F)C(C)(C)O)C[C@H]2C)n1C
|
CC(C)CCOCC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2COC3(CCC3)C2)C1
|
CCc1ncncc1C(=O)NCC1CN(C(=O)C(F)(F)[C@@H](O)C2CC2)C1
|
CC(C)[C@@H](C#N)C(=O)NC[C@H]1C[C@@](F)(CNC(=O)c2cccc(Cl)c2F)C1
|
CC(C)(C)[C@@H](O)C(=O)N[C@H]1CCCCC[C@H]1C(=O)N(CCF)C1CC1
|
COc1c(F)ccc(C(=O)N[C@H]2C[C@](F)(CNC(=O)c3ccc(C#N)s3)C2)c1F
|
C=CC[C@@H](CO)NC(=O)c1ccc2c(n1)CN(C(=O)[C@H]1CCCC(=O)C1)CC2
|
C[C@H]1C[C@@H](NC(=NCC2(c3ccc(Cl)cc3)CC2)NC2CCCC2)CO1
|
Cc1cc(C(=O)N2CC[C@@H](C)[C@@H]2CNC(=O)c2nc3cnccc3s2)n[nH]1
|
CCOCC(C)(C)C(=O)N1CCC2(CC1)C[C@@H](C)N(C(=O)[C@H](SC)C(C)(C)C)C2
|
CC(C)[C@@H](NC(=O)c1ccc(F)cn1)[C@H](C)NC(=O)CNC(N)=O
|
CCCCC[C@@H](C)CC(=O)NCC[C@@H](O)CNC(=O)c1cc(C)c(C)c(C)c1
|
Cc1cc(NC2CCOCC2)ccc1NC(=O)C[C@H]1CNCC(C)(C)O1
|
C=CCC1(C(=O)N(CCO)CC2CC2)CN(C(=O)c2nc(Cl)cs2)C1
|
CCc1cc(OC)ccc1C(=O)N1CC(O)(CNC(=O)C[C@@H]2CNC(=O)C2)C1
|
Cc1cc(OCC(=O)NCCC2CN(C(=O)C3(C)C[C@@H]4C[C@H]4C3)C2)no1
|
CN=c1[nH]c(=NCc2ccc(C(N)=O)nc2)[nH]c(=NC[C@H](C)CN(C)C)[nH]1
|
CC/C=C/CC(=O)N(CC(=O)NC[C@@H]1CC2(CCC2)CO1)C1CC(C#N)C1
|
CCn1c(O)nc2cc(C(=O)NC[C@H](O)CCNC(=O)[C@@H](CO)N(C)C)ccc21
|
CO[C@H]1CC[C@@H](C(=O)N(CCC(=O)NC[C@H]2C[C@@H]3CCC[C@@H]3C2)CC2CC2)CC1
|
CC(C)OCCCC(=O)N1C[C@H]2C[C@H](NC(=O)c3cccc4c3CCC4)[C@H]1C2
|
COc1cc(CCC(=O)N(C)[C@H]2CCCN(C(=O)C3=C(C)CCOC3)CC2)on1
|
C[C@@H](CNC(=O)[C@H]1CCC2(CCC2)CO1)CN(C)C(=O)c1cc(C(N)=O)co1
|
CCc1c(C(=O)N2C[C@@H]3CC[C@]3(CNC(=O)C3CSC3)C2)csc1C
|
O=C(N[C@H]1CN(C(=O)c2coc3ccccc23)C[C@@H]1O)c1ccc(F)c(Cl)c1F
|
CCC(=CC(=O)N1CCN(CCNC(=O)[C@H]2CCO[C@@H]2CC)CC1)CC
|
COC(=O)c1sc2ncccc2c1NC(=O)[C@H]1COCCN1c1cc(C)ncn1
|
Cc1cc(C(=O)N2CCCC[C@@H](CNC(=O)CCn3ccnn3)C2)co1
|
COCCOCCOCCNC1CCCCCC1
|
CC(C)NC(=O)N1CCC[C@@H](C(=O)N2C[C@H](C)[C@H](NC(=O)C3=CCCOC3)C2)C1
|
CC[C@H](C)[C@@H](O)C(=O)N(C)CCNC(=O)c1cccc2c(C)c(C)[nH]c12
|
CNc1ccc(C(=O)N2CC[C@@H](NC(=O)c3ccc4ccccc4c3C)C2)nc1
|
Cc1cc(O)c(C(=O)OCCCCN(C)C)cc1C
|
C[C@@H](C(=O)NCCCN(C)C(=O)Cn1cc(C(F)(F)F)nn1)S(N)(=O)=O
|
C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)c3cccc4c3ncn4C)CC[C@H]2C1
|
O=C(C=CC1CC1)NCC1(CCCNC(=O)C2[C@@H]3C[C@@H]3[C@H]3C[C@@H]23)CCCC1
|
C#CCNC(=O)CCNC(=O)C1(CNC(=O)C[C@@H]2CSCCO2)CC=CC1
|
CCC[C@@H](C)CN=c1ccc2cc(S(=O)(=O)N[C@H](C)CC(=O)NC)ccc2[nH]1
|
COC(=O)c1cc(C(=O)N2CC3(CCC3)C[C@@H]2CNC(=O)C2C[C@H]3C[C@@H]3C2)no1
|
CC(C)c1c(Cl)ncnc1NNC(=O)N[C@@H]1COCCN(C)C1
|
Cc1cc(C(F)F)oc1C(=O)N[C@H](C)CNC(=O)[C@@H](C)N1CCC[C@@H](O)C1
|
CC(C)c1ncc(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)CCCC(=O)C3CC3)C2)[nH]1
|
Cc1ccc(/C=C/C(=O)N2[C@H](C(=O)N3CC(F)(F)C[C@@H]3CO)C[C@@H]3C[C@@H]32)cc1
|
CSC[C@H](O)C(=O)NCc1ncoc1CCNC(=O)Cc1cn2ccsc2n1
|
CN(C(=O)COC1CCC(F)(F)CC1)[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H](O)C1
|
CCc1cc(C)c(C(=O)N[C@H]2CCN(C(=O)c3cc4cccn4cn3)[C@@H](C)C2)o1
|
C[C@H](NC(=O)N(CCO)C1CCSCC1)c1ccco1
|
Cc1c(C(=O)NC[C@@H](NC(=O)[C@H](O)C(F)(F)F)C2CC2)cc(C(C)C)n1C
|
CC(C)(C)c1cc(C(=O)N2CC[C@@H](O)[C@H](NC(=O)c3cc[nH]n3)C2)ccc1O
|
CCc1ccc(C(=O)NCC[C@@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)cc1
|
CC=C(C)C(=O)NCCCN(C(=O)C=Cc1ccccc1C#N)C(C)C
|
O=C(CN1CCCC[C@H]1C1CCCCC1)[C@@H]1CCCN1C(=O)C(F)(F)F
|
CN(C(=O)Cn1nc(O)ccc1=O)[C@@H]1CN(C(=O)CCCN2CCCC2)C[C@H]1O
|
CC(C)CC1(C(=O)N2CC[C@H]3CCN(C(=O)CCN=c4[nH]ccs4)C[C@H]3C2)CC1
|
Cc1cc(F)cc(CNC(=O)C2=C[C@]3(CCN(C(=O)[C@H](O)C4CC4)C3)C2)c1
|
CC1([C@]2(C)C[C@@H]2Nc2ncnc3ccc(F)cc23)CC1
|
Cn1ncnc1CCC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CC(OC(=N)O)C1
|
COc1ccc(C(=O)N2CC[C@H]([C@@H](F)C(=O)NOCCF)C2)cc1
|
Cn1cc2c(n1)CCC[C@@H]2C(=O)N1CC2(C[C@H](NC(=O)C34CCC3CC4)CO2)C1
|
CN(C[C@H](O)CNC(=O)C1(CO)CC1)C(=O)CSc1ccc(F)cc1F
|
Cc1n[nH]cc1CC(=O)N[C@@H](C)[C@H](NC(=O)CCCc1n[nH]c(=N)s1)C(C)C
|
CC(=O)Nc1cccc(C(=O)N[C@@H]2CN(C(=O)c3cccnc3Cl)C[C@@H]2C#N)c1
|
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