smiles
stringlengths 6
131
|
|---|
CCCc1cnnc(C(=O)NCC2(F)CN(C(=O)C=C(C)C(C)(C)C)C2)c1
|
CCCCC[C@H](F)C(=O)NC[C@@H]1CN(C(=O)C(CC)(CC)CO)C[C@@H]1C
|
C=C1CN(C(=O)N[C@H]2c3cccc(Cl)c3C[C@@H]2C)C1
|
C=C(Br)CCC(=O)N1CCCC[C@@H]1CNC(=O)CN1CCC(C(N)=O)CC1
|
CC(C)CNC(=O)[C@@H](c1cccc(I)c1)N1CC[C@@H](Cc2ccncc2)C1
|
O=C(N[C@H]1CCN(C(=O)c2c(Br)nc3n2CCOC3)C1)[C@H]1C=CCC1
|
C#CCO[C@@H](C)CNC(=O)C12CC(C)(CN1C(=O)COC(C)=O)C2
|
Cc1cc(CC(=O)N2[C@H]3CC[C@H]2CN(C(=O)c2ccc(Br)cc2C)CC3)n[nH]1
|
CC(C)(C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3[C@H]2C3(F)F)CC1)C1CCC1
|
Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)c2c(Cl)nn(C)c2C)o1
|
C=C(C)CNC(=O)[C@H](c1ncc(Cl)cc1Br)N(C)[C@@H]1CCOc2ccc(F)cc21
|
CCC1(C(=O)NC[C@H](O)c2ccncc2)CN(C(=O)c2ccns2)C1
|
O=C(CSC(F)F)N1CC(C(=O)N2C[C@@H](CO)C3(CC3)C2)(C2CC2)C1
|
CCCC[C@@H](O)C(=O)NCC[C@@](C)(CC)NC(=O)c1cc([N+](=O)[O-])ccn1
|
C[C@@H](CN(C)C)C(=O)N1CC(O)(C2(CNC(=O)[C@@H]3C[C@H]3c3ccccn3)CC2)C1
|
C=CC1(C(=O)NC[C@@H](CNC(=O)[C@@H](C)NC(=O)CC)c2ccccc2)CCCC1
|
C[C@@H]1CN(C(=O)C2=C(Cl)CC2)[C@H](C)CN1C(=O)CCNC(=O)c1ccccc1O
|
Cn1cc(S(=O)(=O)NCCN2CC3(C[C@H](NC(=O)c4ccnn4C)CO3)C2)cn1
|
CN1CC=C(CC(=O)NCCNC(=O)C2C[C@@H]3CC[C@H]23)CC1
|
CCC[C@H]1CCC[C@@H]1C(=O)N[C@H](C)C1CN(C(=O)c2csc3nccn23)C1
|
N#Cc1ccc(=NCC(=O)N2C[C@H]3C[C@H]2CCN3C(=O)[C@H]2C[C@@H](O)C2)[nH]c1
|
CN(C)C1(C(=O)N2C[C@@]3(C(=O)Nc4ccc[n+]([O-])c4)C[C@H]2CO3)CC1
|
Cc1ccncc1C(=O)N1CCC[C@H](CCn2cc(C(C)(C)O)nn2)CC1
|
COc1ccc(Cl)c(-c2cn(CC(=O)N[C@H](C)C(C)=O)nn2)c1
|
CC(C)[C@@H](NC(=O)c1ccc(F)c(Cl)c1)[C@H](C)NC(=O)CN1CCCCCC1
|
C[C@@H](CCNC(=O)[C@@H]1C[C@@H]1C(F)(F)F)N(C)C(=O)C#CC1CCCCC1
|
O=C(NCc1cccc(O)c1F)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC3(CCO2)CC3)C1
|
COCC(C)(C)C(=O)NC(C)(C)CN1CCN(C(=O)c2nc(O)c(C)s2)CC1
|
CCCC[C@H](C(=O)N1CC[C@@](OC)(C(=O)N2CCN(CC)CC2)C1)C(C)C
|
CCc1ncc(C(=O)NCc2cccc(CNC(=O)[C@H]3CC=CCC3)c2)o1
|
COCCCN=C(NCc1nnc(SC)s1)N1CCC[C@@H](OC)C1
|
Cc1c(Br)cnc(NC(=O)[C@H]2C[C@H]2NC(=O)c2ccc(F)c(Cl)c2)c1[N+](=O)[O-]
|
Cc1cccc(C(=O)NC2CC(N(C)C(=O)[C@H]3CCOC4(CCC4)C3)C2)c1O
|
CO[C@H](CC1CC1)C(=O)N1CC[C@@H](O)[C@H](N(C)C(=O)CCC2CC(C)C2)C1
|
CC(C)CC1(C(=O)N2CCC3(CC2)C[C@@H]3CNC(=O)c2ccc(C#N)s2)CC1
|
CC[C@@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)COc1c(F)c(F)cc(F)c1F
|
C[C@H](NC(=O)[C@@H]1CCOC(C)(C)C1)C1CN(C(=O)c2cn(CC(F)(F)F)cn2)C1
|
C[C@H](CC1CCN(C(=O)C[C@@H](C)C(C)(C)C)CC1)NC(=O)C1(C2CCC2)CCC1
|
C=CC1(NC(=O)[C@@H]2CN(C(=O)CC)C[C@H](C)O2)CCCCC1
|
C[C@H](C(=O)NCc1nc([C@@H]2CCCO2)n[nH]1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
|
C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)c2cncc(C(C)(C)C)c2)C1
|
Cn1nccc1NC(=O)[C@H]1COCCN1Cc1c(Br)ccc(Cl)c1Cl
|
C=CCC1(O)CCN(C(=O)CSCCNC(=O)C(C)C)CC1
|
CC[C@@H](C)CC(=O)NC[C@@H]1CC12CCN(C(=O)CCc1ccccc1)CC2
|
O=C(N[C@@H]1CN(C(=O)CCc2ccccc2F)[C@@H]2CCC[C@H]12)C1CC(CCO)C1
|
Cc1cc(C)c(C(=O)N2C[C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3F)[C@H]3C[C@H]32)o1
|
CCC[C@H](C)CC(=O)N[C@@H](C)C1CCN(C(=O)[C@@H]2CCC=CO2)CC1
|
C[C@H](CCC(=O)N(C)[C@H]1CCO[C@H](C)C1)NC(=O)[C@H]1C[C@H](N=[N+]=[N-])C1
|
C=CCn1cccc1-c1nc(CCOc2ccccc2)nn1[C@H]1CCCOC1
|
COC(=O)[C@]1(C)CCCN1C(=O)[C@H](C)c1ccc(Br)s1
|
CN1CCC[C@H](C(=O)N(C)[C@H](CC(F)F)C(=O)N(C)Cc2cn[nH]c2)C1
|
Cn1ccnc1C[C@@H]1CCCN1C(=O)c1cc2cccc(Br)c2[nH]1
|
NC(=O)COc1cccc(C(=O)NCC23CCC(CC2)N3C(=O)c2ccns2)c1
|
CN(C)CC(C)(C)CC(=O)N[C@H]1COC[C@H]1NC(=O)c1csc(F)c1
|
O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(F)c(Br)c1
|
CO[C@@H](C(=O)N1CC[C@@H](NC(=O)COCC(C)C)C2(CCC2)C1)C1CC1
|
CN1C[C@@H](NC(=O)N[C@H](CO)c2cccc(S(C)(=O)=O)c2)C(C)(C)C1
|
Cc1cnc(CCNC(=O)[C@@H](NC(=O)[C@H](C#N)C(C)(C)C)C(C)C)o1
|
Cc1ncc(CCC(=O)N[C@@H]2CCN(C(=O)C=Cc3cccc(F)c3)[C@@H](C)C2)o1
|
C#CCC(C)(C)[C@H](NC1(CC2CCC2)CC1)c1nnnn1CC(F)F
|
Cc1[nH]ccc1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H](O)CC2CCCCC2)C1
|
CC(C)[C@@H](F)C(=O)NC[C@](C)(F)CNC(=O)COCCCF
|
Cc1oncc1C(=O)N[C@H]1C[C@@H]1NC(=O)CC[C@@H]1CCCOC1
|
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@@H](C)CNC(=O)c1ncc(C2CC2)cc1F
|
Cc1cc(C(=O)NC[C@]2(F)C[C@@H](Nc3ncnc4c3ncn4C)C2)ns1
|
CCc1noc(C)c1C(=O)N1CC[C@H](C)N(C(=O)c2ccnc(C)c2C)CC1
|
CCOCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1coc(-c3ccsc3)c1)C[C@H](C)O2
|
C[C@@H](CNC(=O)COc1cnc(Cl)cn1)NC(=O)[C@H]1CCCc2nc[nH]c21
|
C[C@H]1CCCN1CC(=O)N1CC=C[C@@H]1C(=O)NC(C)(C)CCCF
|
C=C1CCN(C(=O)[C@@H]2C[C@H]2CCOC)[C@@H](C(=O)N2CCC23CC(CO)C3)C1
|
C=CC[C@]1(C(=O)NCc2ccc(F)cc2F)CCN(C(=O)c2cnc(S)nc2)C1
|
O=C(NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)C1(C(F)F)CC1)c1ccc2n[nH]cc2n1
|
C[C@@H]1CCC[C@H]1[C@H](C(=O)NC(C)(C)C)N1C[C@H]2CCO[C@H]2C1
|
C[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1CCNC(=O)c1cnoc1-c1ccco1
|
Cc1cn(CC(=O)NC(C)(C)CCN2CCN(C)CC2)nc1C(F)(F)F
|
CC(=CC1CCCC1)C(=O)NC/C=C/C(=O)N1C[C@H]2C[C@@H]3C[C@H]1[C@@H]2C3
|
C[C@H]1C[C@@H](C(=O)N2CCC3(CCC3)[C@@H](NC(=O)c3ccc(F)nc3)C2)C[C@@H](C)O1
|
O=C(COCCF)N1CC[C@@H]2CCC[C@]21C(=O)NC[C@H]1CCCS1
|
C#CCOCCC(=O)N[C@@]1(CCOC)CCN(C(=O)c2ccc(OC)cc2)C1
|
O=C(NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)C=C1CC1)c1c(Cl)cc(Cl)cc1Cl
|
Cc1cc(C(=O)N[C@H](C)CNC(=O)C=CC2CC2)c2c(C)nn(C)c2n1
|
COc1ccc(NC(=O)c2cnc(C)c(C(F)(F)F)c2)c(C)c1[N+](=O)[O-]
|
COC[C@@H](CCNC(=O)c1cnn(C)c1C1CN(C(=O)OC(C)(C)C)C1)C(C)C
|
NC(=O)c1cscc1C(=O)N1CC[C@@H](CNC(=O)[C@H]2C=CCC2)C1
|
CCC1=NO[C@H](C(=O)N[C@H](CO)[C@@H](C)NC(=O)c2noc3cc(Cl)ccc23)C1
|
COC1(C(=O)N2CC[C@H](NC(=O)c3ccc4c(c3C)OC(F)(F)O4)C2)CC1
|
CC(C)(C)[C@H](O)CNC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]2C#N)C12CCC2
|
C[C@H](OC(=O)c1cnc2ccccn12)C(F)(F)F
|
CC(C)C(C(=O)N1CC[C@H](NC(=O)C(F)(F)C2(O)CCCCC2)[C@@H](F)C1)C(C)C
|
CN(C)C[C@H](NC(=O)c1ccc(=N)[nH]c1)C(=O)NCC(C)(C)C1=CCCC1
|
C=C(C)Cn1nnnc1[C@H](CC[C@H](C)OC)Nc1cnc(C)c(C)c1
|
C[C@@H](CO)C(=O)NCCNC(=O)C(C)(C)S(=O)(=O)C1CC1
|
Cc1cc(=NC[C@H]2COc3ccccc32)[nH]c(N(C)CC(C)(C)[C@@H]2CCOC2)n1
|
CC[C@H](C#N)C(=O)NC(CC)(CC)CCNC(=O)c1cn(C2CC2)nn1
|
CC1=NNC(=O)[C@@H]1CCC(=O)N[C@]1(C)CCCN(C(=O)c2cc(O)cs2)C1
|
CC(C)Cc1c(C(=O)N[C@H]2CCOC[C@H]2NC(=O)[C@]2(C#N)CCOC2)cnn1C
|
CN1CCc2cc(C(=O)N3C[C@H]4C[C@@]4(NC(=O)CCCC(C)(F)F)C3)ccc21
|
CCN(CC)[C@H](C)C(=O)N1CC[C@@H](NC(=O)Cc2cncnc2)[C@H](O)C1
|
CCCCCC(=O)N1CCN(C(=O)C2CCSCC2)C[C@H](C)C1
|
COc1cc(N)c(C(=O)NCCC(C)(C)NC(=O)CSC2CC2)c(Br)c1
|
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