smiles
stringlengths 6
131
|
|---|
CO[C@@H]1CCN(C(=O)c2c[nH]nc2CCNC(=O)[C@H]2COCCO2)CC1(C)C
|
C=CCn1cc(C(=O)N2C[C@@]3(CNC(=O)[C@H](O)COC)C[C@H]2CO3)cn1
|
CN(C)CC1(C(=O)OCc2cccc(Br)n2)CCCC1
|
C[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)O
|
CCOC(=O)CC(=O)N1CCC(C2(NC(=O)C#CC3(CC)CC3)CC2)CC1
|
Cn1ncc2c1CC[C@@H](C(=O)NCCC1(O)CN(C(=O)Cc3ccc(Cl)s3)C1)C2
|
COc1cccnc1[C@H](O)CNC(=O)NC[C@@H]1C[C@@H]1C
|
CS[C@@H](C(=O)N1CC(O)(CN(C)C(=O)[C@H]2CCN(C)C2=O)C1)c1cccc(Cl)c1
|
O=C(/C=C/C(F)(F)F)NC[C@H]1CCN(C(=O)[C@H](O)CC2CCCCC2)C12CCC2
|
CCn1nc(C(=O)NC[C@@H]2C[C@@H](NC(=O)CC(C3CC3)C3CC3)C2(C)C)cc1C
|
C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](F)CN(C(=O)Cn2nc(C)c(Br)c2C)C1
|
Cc1cc(N2C[C@H]3CCN(C)[C@H]3C2)nc(N2CCn3c(cnc3C)C2)n1
|
C#CCN(CC(=O)N[C@@H]1[C@@H](O)[C@H]2CCO[C@H]21)C(=O)CC(=O)NCC
|
Cc1cc(=O)n(C)nc1C(=O)NCCN(C(=O)[C@@H](C)CC(F)(F)F)C1CCCC1
|
CC(C)c1n[nH]cc1C(=O)NC1C[C@@H]2C(NC(=O)c3cccnn3)[C@H]2C1
|
CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)CC2CCCCCC2)Cc2nccn2C1
|
O=C(c1ccncc1C(F)F)N1CCN(C(=O)CS(=O)(=O)C2CC2)C2(CCC2)C1
|
CCCCOCC(=O)N[C@H]1CCN(C(=O)Cc2cccc(OCC(C)C)c2)[C@@H]1C
|
Cc1nc(CNC(=O)CN(C(=O)Cn2ccnn2)C2CC(C#N)C2)co1
|
CN(CCC(=O)NC[C@@H](CO)N(C)C)C(=O)C1(C(N)=O)CCC1
|
CC(CNC(=O)C1=CC(I)=CN1)N(C)C(=O)C1=CC=CC=N1
|
CN1C[C@H](O)CC[C@@H]1C(=O)NCC1CC(O)(CNC(=O)COC[C@H]2CCOC2)C1
|
COCc1nc(C(=O)N2C[C@H](NC(=O)[C@@H](C)OCC(C)C)CC(C)(C)C2)co1
|
CSCc1cccnc1C(=O)N1CCCC[C@@H]1CCN(C)C(=O)c1cnc(Cl)[nH]1
|
CC[C@@H]1CN(C(=O)c2sccc2SC(F)F)CC[C@H]1NC(=O)Cc1nccn1C
|
CCOCCCC(=O)N1CCC(CC(=O)N2CC[C@H]3[C@H](COC)[C@H]3C2)CC1
|
C[C@H]1CC(n2nc(-c3cnn(CCO)c3)nc2Cn2ncnn2)C[C@H](C)O1
|
CC(C)C#CC(=O)NCCn1cnc(C(=O)N[C@]2(C)CCC(=O)N(C)C2)c1
|
Cc1cc(F)cc(C(=O)NC[C@H]2CCN2C(=O)Cc2ncncc2Cl)c1
|
O=C1N[C@H]2CN(C(=O)[C@H]3CC4(CCN3C(=O)c3cc(O)nc(O)n3)CC4)C[C@H]2O1
|
Cc1cccc2c(C(=O)N(C)CCN=c3cc(C(F)F)nc[nH]3)n[nH]c12
|
CCN(C(=O)C=C[C@H]1CCOC1)[C@H]1CCCN(C(=O)C=C2CCCCC2(C)C)C1
|
Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@]2(NC(=O)c3cc(C)c(O)nn3)C[C@H]2C1
|
C=CC[C@@]1(NC(=O)[C@H](O)Cc2c(F)cccc2Cl)CCN(C(=O)CS(N)(=O)=O)C1
|
CCC[C@@H](C(=O)OC)C(=O)N1C[C@@H](NC(=O)c2cccc(CCO)c2)C[C@@H](F)C1
|
CN(NC(=O)NCc1cccc(NC(=O)C2CCCC2)c1)c1ccccn1
|
CN1CCOC[C@@H](CNC(=O)[C@H]2COCCN(Cc3cc[nH]n3)C2)C1
|
CC[C@@]1(CCC(=O)N(Cc2cccc(OC)c2)C(C)C)CCC(=O)N1
|
Cn1cc(C(=O)N[C@H](CO)CNC(=O)C[C@@H]2OCCc3ccccc32)cn1
|
O=C1CC[C@@H](c2ccc(C(=O)N[C@@H]3CC[C@H](NC(=O)C4=CCCSC4)C3)cc2)N1
|
CCC(C)(C)[C@@H](O)C(=O)N[C@@](C)(CNC(=O)c1sc(C)cc1OC(F)F)C1CC1
|
C#CCCCCCNC(=O)/C(C)=C/CNC(=O)COC[C@H]1CCCO1
|
COc1cc(Cl)ccc1CCN(CCO)Cc1cc(Br)cs1
|
C=C[C@@H]1CC[C@H]1c1nc(-c2cc(F)cc(F)c2)nn1-c1cncc(Br)c1
|
Cc1cn([C@@H](C(=O)N[C@H]2CN(C(=O)c3nc(Cl)ccc3N)C[C@H]2C)C(C)C)cn1
|
CCC[C@H]1CN(C(=O)[C@H](F)CC(C)C)CCN1C(=O)c1cnn2c1OCC2
|
CC1(C)COc2ccccc2[C@@H]1C(=O)NC[C@H](F)CNC(=O)c1cnccc1Cl
|
CCN=c1[nH]cc(C(=O)N2C[C@@H](NC(=O)C=C3CCCCC3)C[C@@H](C)C2)s1
|
Cn1ccnc1[C@H](NS(=O)(=O)CC[C@H]1CC1(Cl)Cl)c1cccc(F)c1
|
CO[C@H](C)C(=O)N(C)CCCNC(=O)c1cnn(C)c1C
|
O=C(CCn1cc(Br)cn1)N1CC[C@H]1CNC(=O)[C@H]1CC[C@H]([N+](=O)[O-])CC1
|
COc1c(C(=O)OCc2nnc3ccccc3n2)occc1=O
|
C=C=CCCC(=O)N1CCC[C@H](CNC(=O)C2C[C@@H]3COC[C@H]3C2)CC1
|
CCN(C[C@H]1CCCO1)C(=O)[C@H](NC(=O)CCCOC(C)(C)C)c1ccccc1
|
CCCC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(C(C)C)o1
|
C=CCC(F)(F)C(=O)N[C@H](C)[C@@H](CO)NC(=O)c1ncnc2ccsc12
|
CCc1ncc(C(=O)N[C@H](C)[C@H](C)C(=O)N2CC(=O)NC(=O)C2)s1
|
CCC1(NC(=O)[C@H]2CCCC3(CC3)C2)CCN(C(=O)[C@H]2CCN2S(C)(=O)=O)CC1
|
Cc1nc(CC(=O)NCC2(CNC(=O)Cc3cccc(Cl)c3Cl)CC2)cs1
|
N#Cc1cnn(CC(=O)N[C@H](CNC(=O)c2cc(Cl)n[nH]2)C2CCC2)c1
|
Cc1c(C(=O)N2CC(CNC(=O)CN3CCCS3(=O)=O)C2)cc(C2CC2)n1C
|
CCn1cnc(C(=O)N2CCOC3(CN(C(=O)CN4CCCC4)C3)C2)n1
|
C[C@@H](CN(C)C(=O)c1ccccc1-n1cc(CNC(=O)[C@@H](C)O)nn1)C(F)(F)F
|
Cc1nc(N2CCC[C@H]([C@@H](C)NC(=O)C#CC(=O)O)C2)nc2ccccc12
|
C[C@@H](NC(=O)CN1CSCC1=O)C(=O)NCc1nnnn1C
|
O=C(NCCNC(=O)c1cc(SC(F)(F)F)c[nH]1)c1ccc(-c2ncon2)cc1
|
COc1cc(C)c(C(=O)N2CC[C@](C)(CNC(=O)CCC#N)C2)cc1S(N)(=O)=O
|
CCc1c(C(=O)N[C@H]2C[C@@H](NC(=O)c3cn[nH]c3)C2)csc1C
|
Cc1cccnc1C[C@@H](C)N1CCC[C@H](C(=O)N2C[C@@H](O)[C@H](CC(=O)O)C2)C1
|
C[C@@H]1CC=CC[C@H]1C(=O)N1CCC[C@@H](CCCCNC(=O)CSCCN(C)C)C1
|
Cc1cc(COC(=O)[C@@H]2C[C@H]2C)cnc1Br
|
CC(C)(C)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1cc(F)cc(Br)c1F)CC2
|
C[C@@H](NC(=O)[C@@H]1CCCC(=O)N1C)C1CN(CC(=O)NCC(C)(C)C)C1
|
Cc1cc(C(=O)N[C@H]2CN(C(=O)Cc3csc(C(C)C)n3)CC[C@H]2C)nnc1C
|
CC(Cl)=CC(=O)N1C[C@@H](NC(=O)CN2C(=O)CCC2=O)C[C@@]12CCOC2
|
CCC(CC)(CC)C(=O)NC[C@@H](F)CNC(=O)[C@@H]1CCCCC(=O)N1
|
COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@H](CN(C)C(=O)Cc2cncn2C)C1
|
COC[C@@H](C(=O)N1CC2(C=C(C(=O)N[C@H](C)c3nccc(C)n3)CO2)C1)N(C)C
|
CCC[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)C2(c3ccc(C)nc3)CC2)C1)S(N)(=O)=O
|
CCn1nnc(C(=O)N2CCC3(CCN(C(=O)[C@@H]4O[C@H](C)C[C@H]4C)CC3)C2)c1C
|
CC(=O)OCC(=O)NCCn1cc(C(=O)N[C@H]2CCOC2)nn1
|
CC(C)(C)NC(=O)[C@@H](c1nccc(Cl)c1F)N1CC[C@@H](P(C)(C)=O)C1
|
CC(C)CCOCC(=O)N1Cc2occ(C(=O)N(C)CCS(N)(=O)=O)c2C1
|
CN(C[C@@H]1CCCS1)C(=O)[C@@H](F)[C@H]1CCN(C(=O)C23CC(CO)(C2)C3)C1
|
CCC1=NO[C@H](C(=O)N2CC[C@H](NC(=O)c3cc(Br)nn3C)[C@@H](O)C2)C1
|
Cc1cnc(C(=O)NCCN(C[C@@H](C)O)C(=O)COc2ccc(F)cn2)nc1
|
CCOCCC(=O)N(C)[C@@H](CNC(=O)c1sccc1C(C)=O)C1CC1
|
C=C[C@@H](C)[C@H](C)C(=O)N1CC2(CN(C(=O)Cc3cc(Cl)ccc3Cl)C2)C1
|
CN(C)Cc1nnc(N(Cc2cccc(F)c2)C2CC2)n1C[C@@H]1CCCCO1
|
CC(=O)c1ccc(C(=O)NCC[C@@H](C)NC(=O)[C@@H](C)c2ccc(C)s2)nc1
|
CC(=O)N1CC2(CCOCC2)C[C@H]1CNC(=O)C1C[C@@H]2CC[C@H](C1)N2C
|
CC1(C)CC[C@H](CC(=O)N[C@@H]2C[C@@H](CC(=O)N[C@H]3CCC4(CCC4)C3)C2(C)C)O1
|
C[C@@](CNC(=O)COc1cncc(Cl)n1)(NC(=O)C#CC1CCC1)C1CC1
|
Cc1cc(C)c(N)c(C(=O)N[C@H]2CC[C@H](C)N(C(=O)CC(C)(C)CN(C)C)C2)c1
|
CC[C@H](NC(=O)CCCn1cccn1)C(=O)N(C)Cc1cocn1
|
Cc1coc(C(=O)N2C[C@H](CNC(=O)c3cc(F)c4[nH]nnc4c3)C[C@H]2C)c1C
|
C[C@@H](CCCNC(=O)[C@@]12CCC[C@@H]1C2)NC(=O)CN1C(=O)COc2ccccc21
|
C[C@H]1CC(F)(F)CCN1C(=O)[C@@H](NC(=O)c1ccc(C2CC2)o1)c1ccoc1
|
C#Cc1cncc(C(=O)N2CCC[C@H]2C(C)(C)C(=O)N[C@H](C)c2noc(C)n2)c1
|
O=C(N[C@@H]1CCN(C(=O)[C@H]2CCCSC2)C12CC2)c1cc2c(F)c(F)ccc2[nH]1
|
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