smiles stringlengths 6 131 |
|---|
CCC[C@H](NC(=O)C1CC2(CCCO2)C1)[C@@H](O)C(=O)Nc1cc(C)c(C)cc1F |
CC(C)CN1CCO[C@@H](Cn2cc([C@@H](C)NC(=O)CCOCC(F)(F)F)nn2)C1 |
C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2CNC(=O)C2CC(=O)CC(=O)C2)CCO1 |
COCc1cccc(CC(=O)NC(C)(C)CN(C)C(=O)C2=C(Cl)CC[C@H](C)C2)c1 |
CC1(CNC(=O)NCC2=NO[C@H]3OCC[C@H]23)OCCO1 |
CCN1CCC[C@H]1C(=O)N[C@]1(C(=O)N2CCC(C[C@H](C)O)CC2)C[C@H](O)C1 |
CCN(CC)CC[C@@H](C)NC(=O)[C@@H]1CNC(=O)CN1C(=O)C1CC(F)(CF)C1 |
CCc1nn[nH]c1C(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNC(=O)C[C@H](C)c1ccco1 |
Cc1ccc(CC(=O)N[C@H](C)[C@@H]2CCN(C(=O)CCCC(C)C)C2)c(F)c1 |
CCN1CC[C@H]1C(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1cccc(C#N)c1Br |
CCC(CC)[C@@H](OC)C(=O)N1CC[C@@](C)(CC(=O)Nn2ccnn2)C1 |
COc1ccc(F)cc1C(=O)N[C@H](CNC(=O)c1ccoc1C(C)C)C(C)C |
CC[C@H](C)CC(=O)N[C@]1(COC)CCN(C(=O)c2ccc(S(N)(=O)=O)cn2)C1 |
Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3nnc(CC(F)(F)F)s3)C2)o1 |
C[C@H](Oc1ccccc1)C(=O)NC1CC(NC(=O)[C@H]2CN(C)CCN2C)C1 |
CC1=NNC(=O)[C@H]1CCC(=O)N[C@@H](C)Cc1c(C)noc1C |
CCc1nc(N[C@@]23CC[C@@H](C[C@@H]2NC(=O)[C@H]2C[C@@]2(C)C(C)C)C3)c2ccsc2n1 |
C=CCn1nnnc1[C@@H](NC1CC2(C1)CC(OC)C2)c1cc(C)c(C)s1 |
CO[C@H](C(=O)N1CC[C@H]1CC(=O)Nc1ccc2c(c1)OCC2)C(C)C |
Cc1n[nH]c(C)c1C(=O)NC[C@@]12C[C@@H]1CN(C(=O)[C@@H](O)C1CCCCC1)C2 |
C[C@@H](CNC(=O)c1cnc(Cl)s1)NC(=O)c1ccnc(N2CCCC2)n1 |
C[C@H]1C[C@]2(CCN(C(=O)[C@@H](NC(=O)C[C@H]3CCN(C)C3=O)C3(O)CCC3)C2)CO1 |
CCOC1(CC(=O)N[C@H](C)CCC(=O)NC2(C(=O)OC)CCCC2)CCC1 |
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1C[C@@H]2CCC[C@@H]2C12CC2 |
Cc1cc(C)c(Br)c(S(=O)(=O)N[C@@H]2CO[C@@H]2Cc2ccccc2)c1Br |
C=CCC(CC=C)C(=O)NCCCOCCCNC(=O)[C@@]12CCO[C@@H]1CCOC2 |
CC[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1C(F)(F)F |
Cc1nc(C)n(CC(=O)N2CCC(NC(=O)COc3cccc(F)n3)CC2)n1 |
COC(=O)[C@H](OC(=O)[C@@H]1C[C@@H]1Br)c1cc(OC)cc(OC)c1 |
Cc1cc2[nH]c(C(=O)NC[C@]3(C)CN(C(=O)C[C@@H]4CNC(=O)C4)CCO3)cc2o1 |
CCCNC(=O)NC(C)(C)C(=O)N1CCCO[C@@H](CNC(=O)CCCCC#N)C1 |
CSCCCCCCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Cn1cnc(=N)[nH]1 |
CCN(C[C@H]1CCCCN1C(=O)CCCCCOC)C(=O)[C@H](OC)C1CC1 |
C=C1CC(C)(NC(=O)[C@](C)(CSC)NC(=O)CSc2nc[nH]n2)C1 |
NS(=O)(=O)CCCNc1ccc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]3CC2)c(Br)c1 |
CCC(=CC(=O)NC[C@H]1CC2(CC2)CN1C(=O)CN1CC(C)(OC)C1)CC |
O=C(CCc1cc(Cl)no1)N[C@H](CO)CNC(=O)c1cncc(-c2ccoc2)c1 |
C=CCO[C@@H](C)C(=O)N1CC[C@H](CNC(=O)CCc2cc(C)nn2C)C(F)(F)C1 |
C=CC[C@H](CC(=O)N[C@@H]1CCCC(F)(F)C1)NC(=O)C1CN(C)C1 |
CC(C)CCCC(=O)N1C[C@H](C)C[C@H](CNC(=O)[C@@H](C)O)C1 |
C[C@H](NC(=O)[C@@H]1C[C@]1(F)Cl)C(C)(C)C(=O)N1CCN2CCOC[C@H]2C1 |
O=C(c1cnc2ccccn2c1=O)N(CCNC(=O)[C@@]12CCOC[C@@H]1C2)C1CC1 |
C=CCOC[C@@]1(C(=O)Nc2cnn3c2CNCC3)CNCCO1 |
Cc1ccc(Cl)c(OCC(=O)N[C@@H]2C[C@@H]2CNC(=O)c2ccc(CN(C)C)[nH]2)c1 |
C[C@H](CN(C)C(=O)c1ccc(N)cn1)NC(=O)C1(CS(C)(=O)=O)COC1 |
COc1ncc(C(=O)N2C[C@@H]3CN(C(=O)c4ccc(N)cn4)CC[C@@H]32)s1 |
C[C@]1(C(=O)NCCC2(O)CN(C(=O)CCCCNC(N)=O)C2)CCCCC1(F)F |
Cc1ccncc1CC(=O)NC[C@@]1(C(=O)N2CC=CCC2)CCCO1 |
Cc1c(Cl)nc2ncnn2c1NC(=O)CCc1csc(Br)c1 |
CCC[C@H](NC(=O)[C@H]1[C@H](C(C)=O)C1(C)C)[C@@H](O)C(=O)NCc1cnn(C)c1OC |
Cn1cc([C@H](O)C(=O)N[C@@H]2CCN(C(=O)C3CC4(C3)CC3(CC3)C4)C[C@H]2F)cn1 |
Cc1cccc(SCC(=O)NC[C@H](NC(=O)[C@@H]2CCOC2)C(C)(C)C)c1 |
CCN(C(=O)COC)[C@@H](C)C(=O)N1CC(=O)NC(=O)[C@@H]1C |
CCC(F)(F)C(=O)N1C[C@@H](O)C[C@H](NC(=O)c2nc(C(F)(F)F)cn2C)C1 |
C[C@@](CO)(CNC(=O)C12[C@H]3CC(C[C@H]31)C2(F)F)NC(=O)C1CCC(C2CC2)CC1 |
C=CCCO[C@H](C)C(=O)N1CC(CNC(=O)[C@H](CC(C)C)C(C)C)C1 |
NC(=O)c1cc(C(=O)N2CCN(C(=O)C=C3CCCC3)CC2)c[nH]1 |
Cc1csc([C@@H](C)C(=O)N(C)C[C@H](C)NC(=O)CCC(C)(C)C#N)n1 |
Cc1ncc(C#N)cc1NC(=O)N1CC[C@](F)(c2ccccc2)C1 |
Cc1ccc(OCCOC(=O)c2ccccc2NS(C)(=O)=O)cc1 |
COC[C@](C)(OC)C(=O)NCCC(=O)N1Cc2ccncc2C1 |
C=C[C@H](CC)C(=O)NC1(CC(=O)N2CC[C@H]3[C@H](O)C[C@H]32)CC1 |
Cc1cn(C)cc1C(=O)NC1(CNC(=O)[C@]2(O)CCC[C@H](C)CC2)CCCCC1 |
C=C=C(C)CC(=O)NC[C@H]1CN(C(=O)C=Cc2cncs2)C(C)(C)C1 |
CC[C@](C)(C#N)C(=O)NCC1CN(C(=O)c2cn(C)c(=O)n2C)C1 |
O=C(N[C@@H]1CCCCNC1=O)[C@H](F)CC1CN(C(=O)C=CC(F)(F)F)C1 |
CCC(=O)NCC(=O)NC[C@@H]1CN(C(=O)C(=Cc2ccccc2)OC)C[C@H]1C |
CC(C)CC[C@H](F)C(=O)N1CC[C@H](NC(=O)Cc2cnn(C(F)F)c2)C[C@@H]1C |
COCCNC(=O)C(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)[C@H](C)NC(C)=O |
CN(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)C2(F)C(C)(C)C2(C)C)CC1(C)C |
CCn1cccc1C(=O)NC/C=C/CC(=O)N1CC(C)(F)C1 |
C#Cc1cccc(C(=O)NCC2(NC(=O)[C@H]3CC[C@H](O)CN3C)CC2)c1F |
O=C(NC[C@H]1CCCCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1)c1ocnc1C1CC1 |
CC[C@@H](C(=O)NCCCC1(NC(=O)[C@@H]2CC[C@@H](C3=CC=CC=C3)C2)CC1)N(C)C |
COC[C@H]1COCCN1C(=O)[C@@H](NC(=O)c1cnsn1)C1CCCC1 |
CN1CC[C@@H](NC(=O)[C@@H](NC(=O)COC2(C)CCC2)C2CCCCC2)[C@H](C#N)C1 |
C[C@H](C(=O)N[C@H]1COC[C@H]1C(=O)N(C)C[C@@H](F)Cl)c1ccsc1 |
C[C@@H](CC(=O)N1CC[C@H](CNC(=O)C2(S(N)(=O)=O)CC2)C(F)(F)C1)C1CC1 |
CN1N=C[C@H](CC(=O)NC[C@]2(C)CCCN2C(=O)C2CN(c3nncs3)C2)C1=O |
CCS[C@H](C)c1nc(Cc2ccc(C)o2)n(-c2ccc(C)c(F)c2)n1 |
C[C@H](NC(=O)[C@H](F)OC(F)(F)F)C1CN(C(=O)C[C@@H]2CSCCS2)C1 |
CCC(F)(F)C(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1CCCOCC1 |
CCCCCC(=O)N[C@@H](CSCC)C(=O)N1C[C@H]2[C@H](C)[C@H]2C1 |
CC1(C)CC(C(=O)NC2(C3CCN(C(=O)[C@@H]4C[C@H]5C[C@H]4[C@@H]4C[C@H]54)CC3)CC2)=NO1 |
CCN(C(=O)CC(=O)NC1CC1)[C@H](C)CNC(=O)C1CC2(CCCO2)C1 |
CS[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[C@H]2[C@H](CNC(=O)c2cn4ncccc4n2)C3)C1 |
C=CC[C@H](C)C(=O)N1CCC[C@@H](CC(=O)N2CC(C(C)(C)C#N)C2)C1 |
Cc1scnc1C(=O)N1Cc2ccccc2[C@@H](NC(=O)c2cc(C)n(C)c2)C1 |
Cc1cncc(CNC(=O)c2conc2[C@H](C)NC(=O)CCOC2CCCC2)c1 |
C[C@H](CNC(=O)[C@@]1(C)CC=CCC1)N(C)C(=O)CC1(C(F)(F)F)CC1 |
Cc1cc(NC(=O)[C@@H]2C=CCN(C(=O)C[C@H](C)F)C2)ccc1Cl |
Cc1ccc(C(=O)NCCCCC(=O)NC[C@]2(O)CCO[C@@H]2C)c(O)c1 |
CC(C)CCC(=O)N[C@@H]1CN(C(=O)c2cc(O)nc(O)n2)[C@H]2C[C@@H]12 |
Cc1csc(C(=O)NC2CCC3(CC2)CN(C(=O)[C@@H]2C[C@H]2CF)C3)c1Br |
CC(C)(C)C#CCCNC(=O)C[C@@H]1CCN1C(=O)Cc1ccc(F)nc1 |
CCOC(=O)CS(=O)(=O)N1C[C@H](F)C[C@@H](C(=O)NCC2CN(C)C2)C1 |
CN(C)[C@H](CO)C(=O)NC1CN(C(=O)C[C@]2(C)CCS(=O)(=O)N2)C1 |
COCC[C@H](CNC(=O)C1[C@H](C)[C@H]1C)NC(=O)c1cc2c(cc1Cl)NCC2 |
C[C@H](CC1CCCC1)C(=O)N1C[C@H]2C(CNC(=O)C=Cc3cscn3)[C@@H]2C1 |
CCc1occc1C(=O)N(C)C[C@@H](C)CNC(=O)[C@@]1(C)CCCNC1=O |
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