smiles
stringlengths 6
131
|
|---|
CCCCCCCCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H](COC)C2)C1
|
CCC=C(F)C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)c3ccccc23)C[C@H]1OC
|
COCC1(CNC(=O)C(Br)=C(C)C)CN(C(=O)c2ccsc2Cl)C1
|
CCC(F)(F)C(=O)N1CC(C2(NC(=O)[C@H]3C[C@]3(C)c3ccc(F)c(F)c3)CC2)C1
|
CO[C@H](CC(C)C)C(=O)NC[C@@]1(C)CN(CCCOCc2ccccc2)CCO1
|
CCCc1nc(C(=O)NCCN(C(=O)c2nc(C3CC3)cs2)C(C)C)co1
|
CN1CCC(C(=O)N[C@H]2CN(c3ncc4[nH]ncc4n3)C[C@@H]2F)CC1
|
CC[C@@H](C)CCC(=O)N1CC2(C(=O)NC[C@@H](C)C(C)C)CCC1CC2
|
Cc1cc(C(=O)NC[C@H](O)CN(C)C(=O)C2CCC(N(C)C)CC2)cnn1
|
Cc1ccc(=NCCC(=O)NCCNC(=O)CCc2ccon2)[nH]c1
|
CNC(=O)NCC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CN=S(C)(C)=O)C1
|
COc1cc(F)c(F)cc1-c1cnc(Cl)c(C(=O)Nc2cccc(Cl)c2C#N)c1
|
CC(C)C1CCN(C(=O)C(=O)NC[C@]23CCC[C@H]2OCC3)C1
|
CC1(C)OCC(C)(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](CNC(=O)C2CC4(CC4)C2)C3)CO1
|
C[C@H]1CN(C(=O)[C@@H](CC2CCCC2)NC(=O)[C@@H]2CC3(CCC3)CO2)C[C@@H]1CO
|
COCCC(=O)N1C[C@H](C)[C@@](C)(CNC(=O)C2([C@@H]3CCCO3)CCC2)C1
|
C=C(Br)CC(C)(C)C(=O)N[C@H]1CN(C(=O)[C@H]2C[C@@H]2C)CC2(CC2)C1
|
CCCCC(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2cn(CC3CCOCC3)nn2)C1
|
C=CC[C@H](CC(=O)N1CCC[C@@]1(C)C(=O)OC)NC(=O)[C@@H](C)CO
|
O=C1CC(C(=O)N2CC[C@@H](NC(=O)CCc3ccccc3Cl)[C@H](F)C2)CC(=O)N1
|
N#Cc1cc(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)Cc2cc(O)nnc2O)cs1
|
C=C[C@@]1(C(=O)NOCC(F)(F)F)CCN(C(=O)c2cnc(C)n2C)C1
|
Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)N3C)C[C@H]2CO)c(C)c1
|
CC(C)[C@H](CO)C(=O)N1CCC[C@H](CCNC(=O)CS(N)(=O)=O)CC1
|
CN(C[C@@H]1CC1(F)F)C(=O)CN(C(=O)CCc1cccn1C)C1CC(C#N)C1
|
Cc1ccc(O[C@H](C)C(=O)N2CCCC[C@H]2COC(=O)N2CCCCC2)cc1
|
C=CCCC1(C(=O)NCCNC(=O)NC)CN(C(=O)C2CC(OC)C2)C1
|
COC(=O)c1c[nH]c(=NCC2(C)CCN(C(=O)c3cnc(F)c(C)c3)CC2)cn1
|
Cc1nc(C(=O)N2C[C@H](C)[C@@H](C(=O)N[C@@H]3C=CC(C)(C)CC3)C2)ccc1C#N
|
Cc1nc(O)[nH]c1C(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1sccc1F
|
CC[C@](C)(CNC(=O)CSCCNC(=O)CC1CC2(CC2)C1)COC
|
CCCN(C(=O)C1(F)CCCCC1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CF)C1
|
COc1cc(C(=O)N2C[C@@H](C(=O)NC(C)(C)[C@H]3CCOC3)C3(CC3)C2)on1
|
Cc1ccnc(C(F)(F)C(=O)N2CC[C@@H](NC(=O)c3scnc3C(F)F)C2)c1
|
CN1CC[C@@H](CC(=O)N[C@@H]2CCCCC[C@H]2NC(=O)c2cnn(C(F)F)c2)C1=O
|
C[C@H](NC(N)=O)C(=O)N1CCC2(CCC[C@@H]2NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1
|
CC=C(C)C(=O)N(C)[C@H](CNC(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C1CC1
|
C=C[C@](C)(CCOC)C(=O)N1CC[C@H]2CC[C@H](NC(=O)[C@H](C)N(C)C)[C@H]1C2
|
CCc1ccnc(C(=O)N2CCC[C@H]2C(C)(C)C(=O)N(C)[C@H](CC)C2CC2)c1
|
CCCC[C@H](O)C(=O)N[C@H]1CN(C(=O)c2cc(C)c(S(N)(=O)=O)cn2)CC12CC2
|
CCCOCCC(=O)NC[C@@](C)(NC(=O)c1n[nH]c2c1CSCC2)C1CC1
|
O=C(OCCc1cnco1)c1ccc2ccccc2c1O
|
CCCC(C)(C)C(=O)N1CCCN(C(=O)c2cc(C)n(C(C)(C)C)n2)CCC1
|
C[C@H](C(=O)N1CC(N(C)C(=O)CCc2ccc(Cl)c(Cl)c2)C1)n1cncn1
|
C=CCNC(=O)[C@H](c1csc(-c2ccccc2)n1)N1CCC(n2cncn2)CC1
|
COCc1c[nH]c(C(=O)N=c2ccn(C3CN(C(=O)c4cscn4)C3)[nH]2)c1
|
C[C@@H](CN(C)C(=O)C(=O)c1cnn(C)c1)NC(=O)c1ccc(S(C)(=O)=O)s1
|
CCN(CCNC(=O)[C@@H](C)Cn1ccnc1)C(=O)c1[nH]nc(OC)c1Cl
|
CC[C@@H](C)N(CCO)Cc1ccc(C(C)(C)C)c(OC)c1
|
CO[C@@H]1CN(C(=O)CCc2cnc(O)[nH]2)C[C@@H]1NC(=O)c1nccn2nccc12
|
C=CCSCC(=O)N[C@H]1CC[C@H](N2CCN(C(=O)CC(C)(C)C(F)(F)F)CC2)C1
|
CCc1ncccc1C(=O)N(CCC(=O)NC[C@@H](C)c1nccs1)OC
|
C=Cc1cncc(C(=O)N[C@@](C)(CNC(=O)c2cc(COC)oc2C)C(C)C)c1
|
C#CC[C@@](C)(CC)C(=O)N[C@H](C)[C@@H]1C[C@H]1C(=O)Nc1cc(C)c(F)c(C)c1
|
CC(=O)c1ccc(N2CCN(C(=O)NCc3ccc(C[S@](C)=O)cc3)CC2)cc1
|
Cc1cc(N)cc(C(=O)NCC(C)(C)NC(=O)[C@@H]2CCCCC23CC3)c1
|
Cn1cc(CC(=O)N[C@H]2CN(C(=O)CSc3ccccc3[N+](=O)[O-])C[C@@H]2F)cn1
|
CO[C@H]1CCC[C@@H](N(C)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)C1
|
CC[C@@H](NS(=O)(=O)c1ccc(N2CCN(C)C[C@H](C)C2)c(C#N)c1)C(C)(C)C
|
Cc1nscc1C(=O)N(C)[C@H](CC(F)F)C(=O)NC[C@H](C)OCCO
|
CC(C)/C=C/C(=O)N(C)[C@@H]1CCN(C(=O)CCC(C)(C)F)C[C@H]1C
|
CCCCc1nc(C)c(C(=O)N[C@H](C)[C@@H]2CCN(C(=O)COC3CCC3)C2)s1
|
CN(C)CC1(CNc2cc(N3CCc4sccc4C3)ncn2)CCC1
|
CC[C@@H](CC(=O)N(C)C[C@@H]1CCCS1)N(C)C(=O)C[C@@H]1CCCC[C@H]1O
|
CCCC=CC(=O)NC[C@H]1CCN1C(=O)c1noc2c1COCC2
|
C=C[C@@H](C)CC(=O)N[C@@H]1CCN(C(=O)c2c(F)cc(COC)cc2F)C1
|
CN(CCCOCCNC(=O)CCc1cccnc1)C(=O)C=CC1CCOCC1
|
CC1(NC(=O)[C@H]2CC2(Cl)Cl)CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1
|
Cc1nnsc1C(=O)NC[C@H]1[C@H]2CCC[C@H]1N(C(=O)c1ccnn1C)C2
|
Cc1n[nH]cc1CC(=O)NC1C(C)(C)C(NC(=O)c2cccc(CO)c2)C1(C)C
|
CNC(=O)C1(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)c2cccc3nc(O)[nH]c23)CC1
|
CCCCC(F)(F)C(=O)N[C@@H]1CCO[C@H](C(=O)N2CCn3ccnc3C2)C1
|
C#CCCCOCCNC(=O)C=Cc1cccc(OC)c1OC(F)F
|
CC1=CSC(N2CCN(C3=C(F)C(F)=CC=C3)CC2)=N1
|
CCCCCCN(C)CC(=O)N(C)C1CN(C(=O)[C@H]2CCS(=O)(=O)C23CCC3)C1
|
CC[S@](=O)CC(=O)N1C[C@@H]2CCCN(C(=O)c3nc(C)n(C)c3C)[C@@H]2C1
|
Cn1nc(C(=O)N2CCC=C(C(=O)NCCn3ccnc3)C2)cc1C#N
|
CC(C)(C)[C@@H](NC(=O)c1ccc2n[nH]cc2c1)C(=O)N1C[C@@H](F)C[C@H]1CO
|
CC(C)OCC(=O)N[C@H]1CN(C(=O)[C@H]2Cc3ccc(F)cc32)CCC1(C)C
|
CCOc1nc(C(=O)NCCC[C@H]2CCCN2C(=O)Cc2ccccc2Cl)co1
|
C=CC=CCC(=O)N[C@@H]1CCC12CN(C(=O)c1cnn3cccc(C)c13)C2
|
COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cccc(-n2cc(-c3cncc(C)c3)nn2)c1
|
Cc1ccc(CCNC(=O)COC2(C)CN(C(=O)c3ccoc3C(C)C)C2)s1
|
C=CCN(CCOC)S(=O)(=O)c1cnn2ccc(=N[C@H]3CCSC3)[nH]c12
|
CCn1cnc(C(=O)NC[C@@H]2CC[C@@H](C)N(C(=O)CC3CCCC3)C2)c1
|
CCc1nc(C)oc1C(=O)NCC1(CCNC(=O)[C@H]2COCCN2C(C)=O)CC1
|
C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(CNC(=O)c2c(Cl)nc3cc(Cl)ccn23)CC1
|
C=CCCCC[C@H](C(=O)NC(C)(C)CC)N1CCOC[C@H]1[C@@H]1CCCO1
|
CC=CC=CC(=O)N1C[C@H]2C[C@@H]1[C@H]2NC(=O)CC[C@@H](C)c1ccccc1
|
CSc1snnc1C(=O)NC[C@@H]1CC[C@@H](C)CN1C(=O)C1=C(Cl)CCC1
|
CNC(=O)c1ccc(CC(=O)N[C@H]2C[C@H](NC(=O)CCc3n[nH]c(=N)s3)C2)cc1
|
CCC(C)(C)CC(=O)NC1CC(C)(NC(=O)c2ccsn2)C1
|
CC(C)(C(=O)N[C@@H]1C[C@H]2CN(C(=O)C3CC4(CSC4)C3)C[C@@H]21)c1cccc(Cl)c1
|
CSC[C@@H](NC(=O)c1cc2c(nc1O)CCC2)C(=O)NCCO
|
C=C(CCNC(=O)C1(CN(C)C)CC1)CNC(=O)c1cc(F)cc(OC(F)F)c1
|
O=C(Cn1cc(Cl)c(O)nc1=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C2CC2)C[C@@H]1O
|
O=C(C[C@H]1CC2(CC2)CO1)N1CCOC[C@@]2(COCCN2C(=O)C2=C(Cl)CC2)C1
|
Cc1cc(C(=O)N2[C@@H](C)CC[C@H]2C(=O)Nc2ncc(C(F)(F)F)cn2)cc(Cl)n1
|
CCN(C(=O)CSc1ccncc1)[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C
|
Cc1cnnc(C(=O)N2CCC[C@@H]2C2(NC(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1
|
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