smiles
stringlengths 6
131
|
|---|
CCc1cc(C(=O)N2C[C@H]3C[C@@]3(NC(=O)C=C3CN4CCC3CC4)C2)sc1C
|
Nc1ccc(F)cc1C(=O)N1CCCC[C@@H]1CCNC(=O)CCCC(F)(F)CO
|
Cc1cc(C)cc(C(=O)NC[C@@H]2N(C(=O)CC(C)(C)O)CCC2(C)C)c1
|
C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CC1C[C@@H]2CC[C@H](C1)N2C(=O)CC(F)(F)F
|
Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CN(C(=O)Cc2c(C)nn(C)c2Cl)CC12CC2
|
CCNC(=O)C(=O)N1C[C@@H]2CC[C@H](C1)[C@H](NC(=O)c1ccccc1P(C)(C)=O)C2
|
Cc1nonc1CC(=O)N[C@H](CO)[C@H](C)NC(=O)c1nnn(C)c1C
|
C#CC[C@H](C(=O)N[C@@]1(C)CCN(C(=O)c2cc(O)nc(O)c2)C1)C1CC1
|
C=C(C)Cn1c(CNC(=O)CC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1
|
CC[C@@H](CC(=O)NC[C@@](C)(NC(=O)c1cc(OC)ncn1)C1CC1)C1CC1
|
C=C(C)[C@H](CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1COC[C@H]1CN(C)C)OCC
|
C[C@@H](NC(=O)Cc1ccon1)C1CN(C(=O)Cc2ccnc(Br)c2)C1
|
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)c2nocc2C(C)C)c(N)c1F
|
COCCCC(=O)N[C@@H]1[C@@H](CNC(=O)c2cc(Cl)n(C)n2)CCC12CCC2
|
CC1(C)CN(C(=O)C(=O)c2ccc(F)cc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]2[C@@H](C1)C2(F)F
|
CCCC[C@@H](C)CCC(=O)NCCN(CCOC)C(=O)Cc1ncc(C)o1
|
C=Cc1cc(F)cc(C(=O)N(C)[C@@H](C)CCNC(=O)c2nc(C)c(C)s2)c1
|
CC=C(CC)C(=O)N[C@H](CCN(C)C(=O)CCC(=O)N(CC)CC)C(C)C
|
CN(CCNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)CCOc1ccc(C(N)=O)cc1
|
CC(C)(F)[C@](C)(F)C(=O)NCCNC(=O)CCN1CCc2ccccc2C1
|
COc1ccc(C(=O)N[C@H]2CN(Cc3c(C)cc(Cl)nc3Cl)CCC2(F)F)cn1
|
CC[C@H](CNC(=O)CCCn1c(O)nnc1O)NC(=O)COCc1ncnn1C
|
COC[C@H](C)CC(=O)N1CC(CN(C)C(=O)Cn2ccc(C(F)F)n2)C1
|
CN(C)CCc1nc(-c2ccc(-c3ccco3)nc2O)n(-c2ccccc2)n1
|
COC1(CC(=O)NC[C@@H](NC(=O)CCN2CCOC2=O)C(C)C)CCC1
|
COCCC1(C(=O)NCC2=C(C)CCC2)CCN(C(=O)C[C@H](C)OC)CC1
|
COC(=O)[C@@H](OC(=O)c1nn(C(F)F)c(C)c1I)c1cc(Cl)sc1Cl
|
Cc1cc(C(=O)N2CCOC3(C2)CN(C(=O)[C@]2(C#N)C[C@@H]2C)C3)cn1C
|
C#C[C@H](C)N1CCN(C(=O)[C@H](CC2CCCC2)NC(=O)[C@H](F)CCCCC)CC1
|
CC[C@H](C)C(=O)N1C[C@@H](CNC(=O)c2cc3c(s2)COCC3)C2(CCC2)C1
|
C[C@]1(CNC(=O)[C@]2(CNC(=O)C=Cc3ccncc3)CCCO2)CCCOC1
|
C[C@@H]1CC(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4CC[C@@H](O)CN4C)C[C@@H]3C2)=NO1
|
CCCC[C@H](NC(=O)N1C[C@H](C(=O)OC)C2(CCC2)C1)C(=O)OC
|
C[C@H]1[C@H](c2ccccc2)[C@@H]1C(=O)NCCCN=c1ccn2ccnc2[nH]1
|
CN(CCO)CCC(=O)NCCOCCNC(=O)C=C1CCCCC1
|
Cc1cc(C(=O)N2C[C@@H]3C[C@H](C2)N3C(=O)[C@@H]2[C@H]3COC[C@H]32)c(C)cn1
|
C=CCCC(=O)N1CCC(O)(C2(NC(=O)c3cccc4c3OC[C@H]4C)CC2)CC1
|
CC(C)CC[C@H](C)N(C)C(=O)[C@@H]1CCN(C(=O)C[C@@H]2CCN(C)C2=O)C1
|
CC[C@@H](C(=O)N1CC([C@H](OC)C(=O)N2CC3(CCOC(=O)N3)C2)C1)N(CC)CC
|
CCCCn1nccc1C(=O)N1CCN(C(=O)C(=O)N(C)C)C[C@@H]1CF
|
O=C(c1cc2cccnc2nc1O)N(c1cc(C2CC2)[nH]n1)[C@H]1C[C@H]2CN[C@H]1C2
|
CC[C@@](C)(COC)NC(=O)N[C@@H](C)c1c(Cl)cccc1Cl
|
CN(C(=O)c1cccc([C@@]2(F)CC2(F)F)c1)[C@H]1CCCCN(C(=O)C=C(Cl)Cl)C1
|
O=C(NCCOC1CN(C(=O)[C@@H]2OCC[C@H]2C(F)(F)F)C1)C1[C@@H]2COC[C@@H]12
|
C[C@@](CNC(=O)C1CCC(CO)CC1)(NC(=O)C=C1CC1)C1CC1
|
CCC(=O)CCC(=O)N1Cc2nn(C)c(C(=O)OC)c2C1
|
Cc1cc(NC(=O)C(=O)NCCOc2ccccc2F)n(-c2ccc(Cl)cc2)n1
|
Cc1ncc(Br)cc1NC(=O)[C@H]1C[C@H]1C(=O)Nc1[nH]nc2cnccc12
|
CCN(CCNC(=O)[C@H](C)CC1CCCC1)C(=O)C1(Br)CC1
|
Cc1cc(F)cc(C(=O)N2CCO[C@@H](CNC(=O)c3nn(C)c(Cl)c3Cl)C2)c1N
|
COCC(=O)N(C)CC[C@H]1CCCCN1C(=O)Cc1cc(OC)ccc1OC
|
Cc1c(C(=O)N2C[C@@H](CC(=O)NC3(C(N)=O)CC3)C[C@@H]2C)cnn1C
|
CS(=O)(=O)N1CC[C@@H]1C(=O)N1CC[C@H]2[C@@H](C1)CN2C(=O)CNC(=O)c1cscn1
|
O=C(Cc1csc2cccc(Cl)c12)NC[C@@H]1C=CCN1C(=O)c1ccco1
|
Cc1cc(O)ccc1[C@H](C)NC(=O)CCc1cccc2cn[nH]c12
|
C[C@@H]1C[C@@]1(F)C(=O)NC[C@@H]1CN(C(=O)c2n[nH]c3ccc(F)cc23)CCO1
|
C#CC[C@@](C)(NC(=O)c1cc(CC)oc1C)C(=O)NC12CCC(CC1)C2
|
CC(C)CC(C)(C)C(=O)N1CC[C@H](C)[C@@H](NC(=O)C2(C)CC(F)C2)C1
|
Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](CCNC(=O)CN2CCOC2=O)C1
|
C[C@H]1C[C@@H]2CN(C(=O)NCc3ccc(Cn4ccnc4)cc3)CCN2C1
|
CCC[C@H](NC(=O)CC[C@H]1CC1(F)F)C(=O)NCCCn1cnnc1C
|
Cc1ccc(CNC(=O)/C=C/C(C)(C)NC(=O)[C@@H](C)SC(C)C)nc1C
|
CCC[C@@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)[C@@H](F)CCC
|
COCc1nocc1C(=O)N1CCc2ccccc2[C@@H]1CNC(=O)CSC1CC1
|
O=C(NCCCNC(=O)c1ccccc1F)c1ccc(C2CCC2)cc1
|
CC(C)(C)c1nnc(C(=O)N2CCC(c3c[nH]c4ccc(C(N)=O)cc34)CC2)o1
|
CSCC[C@H](NC(=O)C1=C[C@H]2CC[C@@H](C1)C2)C(=O)NC[C@H]1CCC(=O)N[C@@H]1C
|
CNS(=O)(=O)c1ccc(C(=O)NCCN(C(=O)[C@H]2CCOC2)C2CC2)cc1
|
COCC1(CNC(=O)c2ccn(C)n2)CN(C(=O)c2ccnc(NC(C)=O)c2)C1
|
Cn1ncc(Cl)c1C(=O)N1C[C@@H](NC(=O)CCCF)CC2(CCC2)C1
|
CSCC[C@@H](NC(=O)C[C@H]1CCOC1=O)C(=O)NCCCCN(C)C(C)C
|
C#CC[C@H]1CCCCN1C(=O)C1(CNC(=O)c2ccncc2NC)CCCC1
|
CCCC[C@H](CC)C[C@H](NCCCOCC(C)C)c1nnnn1C1CC1
|
Cc1cc(F)c(Br)cc1C(=O)OC[C@@H](CBr)C1CCOCC1
|
O=C(NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)CCOCC1CC1)c1cscc1Cl
|
CCC[C@H](C)CCCC(=O)NCCc1ocnc1CNC(=O)[C@@H]1CCCCO1
|
CC#CCN(C)C(=O)[C@@]12C[C@@H](CO1)N(C(=O)C1(CC)CC(C)(C)C1)C2
|
COC(=O)[C@](C)(F)C(=O)N(C)C[C@@H](C)N(C)C(=O)c1cncc2cnccc12
|
CC(C)c1ccc(NC(=O)C(=O)N2CCO[C@H]3[C@H](O)C[C@H]32)nc1
|
Cc1cc(C(=O)N2CCCN(C(=O)C[C@@H]3CCN(C)C3)CCC2)cc(O)n1
|
C[C@@H](CCNC(=O)[C@@]1(F)CC=CCC1)N(C)C(=O)CSc1ccc(F)c(F)c1
|
CO[C@@H](CO)C(=O)N[C@](C)(C(=O)N[C@H](C)c1cccc(O)c1)C1CCC1
|
CC(=CC(=O)N1CCN(C(=O)c2cccc3ccnn23)[C@@H]2CCCC[C@H]21)C(C)C
|
CCC=C(F)C(=O)N[C@@H]1CC[C@H]1CNC(=O)c1ccc(S(=O)(=O)NC)nc1
|
CC[C@@H]1CC[C@@H](C(=O)NCCC2(O)CN(C(=O)c3ccn4[nH]c(=N)nc4c3)C2)C1
|
CC[C@H](CC(F)(F)F)C(=O)NC[C@H]1CCCC[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-]
|
C[C@H](CCN(C)C(=O)c1ncnn1C1CCOCC1)NC(=O)[C@@H]1C[C@@H]2CC[C@H]1O2
|
COCC(COC)C(=O)NC[C@H](NC(=O)C1=C(C)C(C)(C)OC1=O)[C@H]1CCOC1
|
CCC[C@@H](CC)CCC(=O)N[C@@H]1[C@H]2C[C@H](NC(=O)c3ccc(C4CC4)cc3)C[C@H]21
|
C[C@H](CNC(=O)c1cc(C2CC2)nnc1O)CNC(=O)C1CC(=O)NC(=O)C1
|
COC(C)(C)CC(=O)NCc1nc(C)c(C(=O)N[C@@H]2CCCC[C@H]2N(C)C)o1
|
Cc1nccc(CCC(=O)N[C@H]2C[C@@H]2CNC(=O)c2cnn3c(C)cccc23)n1
|
CC=C(C)C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(F)c(COCCOC)c2)C1
|
Cc1ccsc1CC(=O)N1C[C@H](C)CC[C@H]1CNC(=O)Cc1csc2nccn12
|
CC1=NO[C@@H](C(=O)N[C@@H](Cc2cn[nH]c2)C(=O)N[C@H](CF)C(F)(F)F)C1
|
C#CCCCC(=O)N[C@H]1CCN(C(=O)Cc2csc(-c3ncccn3)n2)C[C@H]1F
|
Cc1n[nH]cc1CCCNC(=O)NC(C)(C)c1ccc(I)cc1
|
Cc1cc(C(=O)NCCN(C)C(=O)[C@@]2(O)CC2(C)C)ccc1-n1cncn1
|
COc1cc(Br)c(CNC2(c3ccc(NC(=O)CO)cc3)CCC2)cc1O
|
C[C@@H]1CCN(C(=O)c2cccc(F)c2O)[C@H]1CNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2
|
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