smiles stringlengths 6 131 |
|---|
CO[C@@H](CNC(=O)Cn1nc(C)oc1=O)CC(=O)N1CCC[C@@H]1CNC(C)=O |
C[C@@H](C(=O)N1C[C@H](C)[C@@](C)(C(=O)N2CCC(CO)=C(F)C2)C1)c1cccs1 |
Cc1ccc(C(=O)N2CCOC[C@@H]2CN(C)C(=O)[C@@H]2C[C@H]3C[C@@H]2C[C@H]3O)c(O)n1 |
CC[C@H]1CN(C(=O)c2ccc(C)o2)CC[C@H]1NC(=O)CC1=CCN(C)CC1 |
CC[C@@H]1CN(C(=O)Cc2csc(S)n2)CC[C@H]1NC(=O)c1cc(C)sc1C |
CCc1ncc(C(=O)N2CC(CO)(NC(=O)[C@@H]3Cc4cc(Br)ccc4O3)C2)[nH]1 |
C=CCN(CCO)C(=O)CC1(OC)CN(C(=O)c2ccccc2F)C1 |
CC[C@@H]1CN(C(=O)Cc2cnn(C)n2)CC[C@H]1NC(=O)CCCc1csc(C)n1 |
C#CCCCCC(=O)N1CC[C@](CF)(NC(=O)C(=O)Nc2ncc[nH]2)C1 |
CC1(C)CCCCC1=CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 |
Cn1cnc2nc(=NCC(C)(C)c3ccncc3)[nH]c(NCc3cnccn3)c21 |
CC[C@@H]1CN(c2nc3cc(C)ccc3c(=NC(C)C)[nH]2)C[C@H]1N1CCOCC1 |
Cc1cc(CNC(=NCc2ccnn2C)N2CCC[C@H](CC(N)=O)C2)n(C)n1 |
CC1(C)CO[C@H](C(=O)N[C@H]2C[C@@H](F)CN(C(=O)c3ccc4[nH]c(=N)oc4c3)C2)C1 |
Cc1ccc(CC(=O)N[C@H]2CCN(C(=O)c3nc4ccccn4c3F)[C@@H]2C)cc1 |
CCN(C[C@@H]1CCCN1C(=O)c1cccc2c1OC[C@@H]2C)C(=O)c1ns[nH]c1=O |
CNC(=O)[C@H](C)N(C)[C@H](C(=O)NCC(F)F)c1cc(Br)c2c(c1)OCO2 |
CCC[C@@H](C(=O)NCC1(NC(=O)C[C@@H]2CCCOC2)CC(F)(F)C1)C(C)C |
CC(C)(F)[C@@](C)(F)C(=O)N1CCOC2(CN(C(=O)CN3CCC[C@@H]3CO)C2)C1 |
CCOc1cnc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cn(C)nc2C)cn1 |
CN(C)c1ccc(C(=O)N[C@@H](CO)CNC(=O)c2c(F)cncc2Br)nc1 |
CCOc1cc(C(=O)N(C)C)ccc1NCc1c(C)ncn1C(C)C |
C[C@H]1C[C@@H]1CCC(=O)NCCCN(C(=O)Cc1ccc(Cl)cn1)C1CCCC1 |
CC[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)Nc1[nH]cnc1C(N)=O)c1cc(F)ccc1F |
CCc1cc(C(=O)N[C@]2(CNC(=O)C(C)(C)CSC)CC3CCC2CC3)ccn1 |
CCCC[C@@H](CC)CC(=O)N[C@@H]1C[C@@H]1NC(=O)C1(c2ccc(F)cc2)CC1 |
Fc1ccc(C[C@H](NCCc2nc3cc(C(F)(F)F)ccc3s2)C(F)F)c(F)c1 |
CCN(C(=O)CC[C@@H]1CCCCN(C(=O)c2cc(C)sn2)C1)[C@@H](C)CO |
C=C=C[C@H](C)C(=O)N1CCC(OCCCNC(=O)[C@H](C#N)C2CC2)CC1 |
COCCO[C@@H](C)C(=O)N1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 |
O=C(NC[C@@]12CCC[C@@H](CN(C(=O)C3C[C@@H]4C[C@H]4C3)C1)C2)c1ccoc1Br |
CCc1nnc(N2C[C@H](NC(=O)c3c(CC)nn(C)c3CC)[C@H]3CCCC[C@H]32)o1 |
COC[C@@H](C)NC(=O)CC1(NC(=O)c2ccc3sccc3c2)CCC1 |
Cc1cc(C(=O)NC[C@](C)(CO)NC(=O)[C@H]2CCc3nnn(C)c3C2)cnc1O |
CC[S@@](=O)CC(=O)NCCC1(C(=O)N[C@@H]2CCCNC2=O)CC1 |
C[C@H](CNC(=O)C[C@H](O)c1ccc(Cl)c(Cl)c1)NC(=O)CN1CC(=O)NC1=O |
CC(C)[C@@](C)(O)C(=O)N1C[C@@H](CNC(=O)CCn2ccnc2)C(F)(F)C1 |
Cc1cc(F)ccc1C(=O)N[C@@H]1CCCN(C(=O)c2c(C)nc3ccccn23)C1 |
C[C@@H](O)CCONC(=O)C1(C)CC(NC(=O)c2cccnn2)C1 |
CCn1nccc1C(=O)N[C@@H](CC(=O)N1CCC[C@]2(C1)C[C@H](O)C2)C(F)F |
CO[C@@H](CC(C)(C)C)C(=O)NCC1(C(=O)N2CC[C@H](c3ncco3)C2)CC1 |
NC(=O)c1ncccc1C(=O)NC[C@H]1CCN(Cc2cc3ncccc3o2)C1 |
CC(C)c1cc(=NC[C@@H]2CN(C(=O)Cc3cncnc3)CC[C@H]2C)[nH]cn1 |
N=c1nc(C(=O)N(CCCNC(=O)[C@@H]2C[C@@H]2F)C2CCCC2)cc[nH]1 |
CC(F)(F)C(=O)NC[C@@]1(C)CN(Cc2ncnn2CCF)CCO1 |
CC1(C)C=C(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCn4cncc4C3)C2)C1 |
Cc1nc(NCCCCC2CC2)cc(=NCc2ccc3c(c2)CCO3)[nH]1 |
CC(C)N(CCNC(=O)NCC1(C2(O)CCC2)CC1)Cc1ccco1 |
CCc1cc(N2CCC[C@@H](NC(=O)N(C)[C@H](C)C3(S(C)(=O)=O)CC3)C2)ncn1 |
COC=CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@H]1NC(=O)c1cc(C)nc(O)c1 |
CC(C)[C@H](N=[N+]=[N-])C(=O)N1CCC[C@@H]1C(C)(C)C(=O)N[C@H]1C[C@@H](CO)C12CCC2 |
Cc1nc2cc(C(=O)N3CC[C@H](C)[C@@H](NC(=O)C4(F)CC=CC4)C3)ccc2n1C |
CC1=C(C(=O)NCc2ccc(C(=O)Nc3csc(C)c3)s2)CC1 |
CC(C(=O)N1CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)CC1)C1CCOCC1 |
CCCSCC(=O)N[C@H]1CC[C@@H](NC(=O)C2(CO)CC(F)(F)C2)CC1 |
COC[C@]1(C)CCC[C@H]1NC(=O)NC1CCN(c2ncco2)CC1 |
COC1(C(=O)NCC(C)(C)CNC(=O)C(C)(C)c2ccno2)CCOCC1 |
COc1ncc(C(=O)N[C@@H]2C[C@H](CNC(=O)CCCCCC#N)C2(C)C)cc1Cl |
C[C@@H]1CCCN(C(=O)CCN2CCC(C(=O)NC[C@@H]3CCCN3C)CC2)C1 |
CC[C@H]1[C@H](C(=O)NCC2(C)CC2)CCN1C(=O)c1cc2ncccc2[nH]1 |
C#CC1(C(=O)NCCCCCCO)CN(C(=O)Cc2cn(C)nc2C)C1 |
C=CCc1ccccc1C(=O)N[C@H](CC(=C)C)C(=O)N[C@H](C=C)C(F)(F)F |
O=C(N[C@H]1CCCC12CN(C(=O)C1=CCCCC1)C2)c1cc(=O)cc[nH]1 |
CCc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)C2(C(C)C)CCC2)C1 |
O=C(NCC[C@H]1CCN(Cc2cc(-c3ccccc3)on2)C1)C1CC=CC1 |
C#CCn1cccc1C(=O)N1CCO[C@H]2CCN(C(=O)[C@H]3CCCC3(F)F)C[C@H]21 |
CCOC(=O)[C@H](F)C(=O)N[C@@H]1CCC[C@@H](NC(=O)CCc2nc(C(C)C)no2)C1 |
O=C(CC1CCS(=O)(=O)CC1)N1CCC(n2ccc(O)nc2=O)CC1 |
CN(CCO)CCC(=O)N1C[C@@H](F)C[C@H](NC(=O)C2(CO)CCCC2)C1 |
CN(C(=O)c1cn(C2CCCC2)nn1)[C@H]1CCCN(C(=O)c2cnccc2Cl)C1 |
CC(=O)Nc1cc(C(=O)N[C@H](C)CNC(=O)Cc2cc(F)cc(Cl)c2)ccc1F |
CC[C@H](C(=O)OC)C(=O)N1CC(C)(OCC(=O)N2CC[C@H](C(F)F)C2)C1 |
C=C1C[C@H]1C(=O)NC[C@H]1C[C@@H](C(C)(C)C)CN(C(=O)c2cnn3c2CCCC3)C1 |
O=C(c1cc(C2CC2)no1)N1CCC(Cc2ccc([N+](=O)[O-])cc2)CC1 |
C[C@@H]1CCc2c(C(=O)NCCN3CCN(C(=O)c4ccccc4O)CC3)n[nH]c21 |
CC[C@@H](C)N(C)C(=O)[C@@H]1C=CCN(C(=O)c2nccs2)C1 |
Cc1ccc(OCC(=O)NC2CC3(CCN(C(=O)CC4CCC4)C3)C2)cc1 |
Cc1nc2cc(C(=O)N[C@H]3C[C@H]4CC[C@@]3(NC(=O)c3ccncc3)C4)ccc2o1 |
Cc1ncsc1C(=O)N[C@H]1CN(C(=O)c2cnc(C3CCC3)s2)C[C@H]1C1CC1 |
COC(=O)C1(NC(=O)[C@H](CC(C)C)N2CC[C@H](O)C[C@H]2C2CC2)CCCC1 |
CCc1cc(C(=O)N[C@H](C)[C@@H](C)NC(=O)C(C)(C)S(C)(=O)=O)n[nH]1 |
C=CC[C@@H](CNC(=O)C1(C#N)CCCC1)NC(=O)C#CC1CCCC1 |
CC1(C)C(CNC(=O)C2(F)CCN(C(=O)c3ncncc3N)CC2)C1(C)C |
CC(=CC(=O)N[C@H](CO)[C@@H](C)NC(=O)c1cncc2nc(C)[nH]c12)c1cccs1 |
COCC[C@H](CNC(=O)[C@H](F)C(F)(F)F)NC(=O)[C@@H](O)CC1CCCC1 |
CNC(=O)C(C)(C)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H](C#N)C(C)(C)C)C1 |
CN(C(=O)Cc1ccon1)[C@@H]1CCN(C(=O)COc2ccc(S(C)(=O)=O)cc2)C1 |
C[C@H](CCC(=O)NCC1CC(O)C1)NC(=O)CN=c1cc[nH]cc1 |
CC(C)[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1C(=O)NC(C)(C)[C@H](C)O |
O=C(N[C@H](C(=O)NC1CC(N2CCC2)C1)c1ccccc1)c1ccnnc1O |
COC1CCN(c2nc3c(c(=N[C@H]4C[C@H]5C[C@@H](CO)C[C@@H]45)[nH]2)CSC3)CC1 |
COc1cc(Br)c(NC(=O)[C@]2(C)CCN2C(=O)c2cc(O)cc(F)c2)cc1C |
CC[C@H](C)[C@@H](CC(=O)N[C@](C)(CC(C)C)C(N)=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]21 |
CCc1nc(C)c(CC(=O)NC[C@@H](C)N(C)C(=O)C(F)(F)[C@@H](C)O)c(C)n1 |
Cc1conc1CC(=O)N1CCCC[C@H]1CN(C)C(=O)[C@H]1CCCC(C)(C)CC1 |
Cc1[nH]c(C)c(C(=O)N2C[C@@H]3C[C@H]2[C@H](N(C)C(=O)c2ccsc2Cl)C3)c1C |
CC[C@H](CC(C)C)C(=O)NC[C@H](NC(=O)C[C@H]1CCC2(CC2)CO1)C1CCC1 |
Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC(C(=O)N2CCC[C@@](C)(O)CC2)C3)cs1 |
CCO[C@H](C1CCCC1)[C@H](C(=O)N[C@H](C)CC)N1CCC(N2CC[C@H](O)C2)CC1 |
CCC[C@H](C)C(=O)NC/C=C/C(=O)NCCN1CC=CCC1 |
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