smiles stringlengths 6 131 |
|---|
CCc1c(C(=O)NC[C@@H](F)CNC(=O)C[C@H](O)CN(C)C)cnn1CC |
C[C@H](Cn1ccnc1)C(=O)N[C@H]1[C@@H]2CN(C(=O)c3ccc(F)c(F)c3O)C[C@@H]21 |
CCC(CC)ONC(=O)CC[C@H](C)NC(=O)[C@H](F)CCC(C)(C)C |
CC[C@@H](SC)C(=O)N1C[C@H]2C[C@H](NC(=O)Cc3cnn(C(C)(C)C)c3)C[C@H]2C1 |
CC/C=C/CC(=O)N1CCN(C(=O)[C@H]2C[C@H]3[C@@H](C2)C3(F)F)CC(C)(C)C1 |
CC(C)C#CC(=O)N1CCCC[C@@H](CNC(=O)c2c(O)cccc2F)C1 |
C#Cc1c[nH]nc1C(=O)NCC[C@H](C)N(C)C(=O)C[C@H]1CN2CCC1CC2 |
Cc1ccc(COCC(=O)N2CC[C@@H]2CNC(=O)C=Cc2cccc(F)c2)cc1 |
OCc1cc(-c2cn([C@@H]3CCc4ccc(Br)cc43)nn2)ccn1 |
Cc1ccc(N(C(=O)[C@H](C)[C@@H](C)N)C2CCC2)cc1 |
C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@]2(NC(=O)[C@H](F)C(F)(F)F)CCC[C@@H]12 |
CN(CCCNC(=O)c1cnc(C(C)(C)C)s1)C(=O)Cc1nn(C)cc1[N+](=O)[O-] |
CC1=CC[C@@H](C(=O)N2CCCO[C@H](CNC(=O)c3ccc(=O)oc3)C2)CC1 |
Cc1cncc(CCC(=O)N2CC[C@@H](N(C)C(=O)[C@@H](C)c3cncc(F)c3)C2)c1 |
CCC[C@H](C(=O)OC)C(=O)N1CC2(CCC[C@H]2NC(=O)C=C2CCCC2)C1 |
CC(C)=CCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(Br)c(N)c1 |
COc1ccc2c(c1)CN(CCc1ccc(F)cc1Cl)CCO2 |
O=C(CS(=O)(=O)CC(F)(F)F)NCC[C@H]1C[C@H](NC(=O)Cc2cc[nH]c2)C1 |
O=C(NCC(=O)N1CC2(CC[C@@H]2CNC(=O)C2CC2)C1)Nc1ccccc1 |
C#CCCN=C(NC[C@H](O)CNC(N)=O)N[C@H]1CC[C@@H](C(=O)OC)C1 |
C[C@H](CO)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1NCC(Cl)(Cl)Cl |
CC1(C)CC(=O)c2ccc(=NCC3(NC(=O)c4ccc(Br)o4)COC3)[nH]c2C1 |
C[C@H](c1ccsc1)c1nc(-c2ccsc2)nn1C[C@@H]1CCCOC1 |
CCn1nccc1C(=O)N1CC[C@H](C(C)(C)C(=O)NCCc2nc(C)no2)C1 |
C[C@@]1(C(=O)NC2CC3(C2)CC(NC(=O)[C@H]2C[C@@H](S(C)(=O)=O)C2)C3)CCCS1 |
CC(C)[C@H]1CN(C(=O)C2(CCO)CC2)CC[C@@H]1NC(=O)c1ccnc(O)c1 |
CC(=O)N1CC[C@@H](CNC(=O)c2coc(CNC(=O)C(C)(C)C(C)C)n2)C1 |
C=C(Br)CC(=O)NC1CC2(C1)C[C@H]2NC(=O)C1(C)COC1 |
CC=CCCC(=O)NCCCCC1(NC(=O)COCCOCC)CC1 |
CCS[C@@H]1CC[C@@H](N[C@H](CC)c2cccs2)C1 |
COc1cc(Cl)ccc1NC(=O)[C@@H]1CCN1C(=O)c1cccc([N+](=O)[O-])c1I |
Cc1c(Cl)ccc2c(C(=O)Nc3ccccc3)cc(-c3ccco3)nc12 |
CCS[C@H](C)C(=O)NCC[C@]1(C)CCN(C(=O)c2ncccc2Br)C1 |
CNC(=O)C1(C(=O)N2C[C@H](NC(=O)[C@@H]3CNC(=O)N3C)CC3(CCC3)C2)CCC1 |
COc1cc(CCC(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)Cc2nnc(C)o2)on1 |
COC(=O)c1cc(NC(=O)NNc2ccc([N+](=O)[O-])c(C)c2)cnc1Cl |
O=C(c1cccc(Cl)c1Cl)N1CC[C@]2(C[C@@H]2C(=O)N2C[C@@H]3[C@H](C2)C3(F)F)C1 |
C=C[C@@H]1CN(C(=O)[C@H](CNC(=O)C2=C[C@]3(CCOC3)C2)C(C)(C)C)CCO1 |
CC1=NN(c2ccc(C(=O)NCc3cc4ccccc4n(C)c3=O)cc2)CC1 |
CN1CC=C(CC(=O)N2CC3(CC[C@H]3NC(=O)[C@H]3CC(=O)NC3(C)C)C2)CC1 |
COC(=O)[C@H](C)C(=O)N1C[C@H]2CN(Cc3nccnc3Cl)[C@H]2C1 |
COC1(C(=O)N2C[C@@H]3C[C@]3(NC(=O)C[C@H](C)c3cccc(F)c3)C2)CCC1 |
COCCN(C)CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](F)CN2C)C12CC2 |
CC[C@H](C)[C@H](O)C(=O)N[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CSC[C@@H](C3)C2)C1 |
CCC=C(F)C(=O)N1C[C@@H](NC(=O)c2cn(CCN(C)C)nn2)CC12CCC2 |
C=CC[C@H](CNC(=O)C=Cc1cnc[nH]1)NC(=O)CNC(=O)c1cccc(C)c1 |
C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H](C(=O)N(C)[C@@H](C)CC1CC1)C1CCC1 |
Cc1cc2ccccc2cc1C(=O)N1C[C@@H]2CNC[C@@H]2C1 |
CC1([C@@H]2C[C@H]2C(=O)NCCN(CC2CC2)C(=O)CCC2CCCC2)COC1 |
CCc1nc(Cl)[nH]c(=NCCCC[C@H](C)NC(=O)c2cnn3ccn(C)c23)c1Cl |
C[C@@H]1CCCC[C@@H]1CNC(=O)N1CC(N2CCOC2=O)C1 |
Cc1snc2sc(C(=O)N3C[C@@H]4C[C@@]4(C(=O)N4CCCC4)C3)cc12 |
CN1CC[C@](C(=O)N2CC[C@@](O)(CNC(=O)C(F)=C3CCC3)C2)(C(F)(F)F)C1 |
C#CCC1(C(=O)N2CCC[C@@](O)(CCNC(=O)C3=CC[C@@H](C)CC3)C2)CCC1 |
Cc1nc([C@H](C)N(C)[C@H]2CCCN(C(=O)[C@H]3CCCN3C(C)C)C2)n[nH]1 |
COC(CCCC(=O)N1CC=C(C(=O)N[C@@H]2CO[C@@H](C(F)F)C2)C1)OC |
CCC[C@@H](CNC(=O)CN(C)C(=O)C1CC1)NC(=O)c1ccc(O)c(F)c1 |
CCOCCNC(=O)[C@H](c1ncc(CC)s1)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O |
CCN(CCNC(=O)c1csc(C(F)F)n1)C(=O)[C@@]1(C)Cc2ccccc2N1 |
C[C@@H](C[C@@H](C)NC(=O)c1nc(C(C)(C)C)no1)NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 |
O=C(CC1CS(=O)(=O)C1)NCC[C@@H](O)CNC(=O)[C@@H](O)c1ccc(Cl)cc1 |
CCCN(CCCNC(=O)C[C@H]1CC=CCN1C)C(=O)c1cscn1 |
CO[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3Cc4cccnc4C3)C2)C1 |
CC[C@@H](O)CC(=O)N[C@](C)(CO)CNC(=O)C1CCN(c2ccnc(Cl)n2)CC1 |
CO[C@H]1CCN(CCNC(=O)[C@H](CNC(=O)c2cccc(F)c2O)OC)C1 |
C=C1CC(CC(=O)N[C@H]2CC[C@@](C)(CNC(=O)c3ccc(OC)cc3N)C2)C1 |
CP(C)(=O)CCC(=O)N1CC(NC(=O)COc2cncc(Br)c2)C1 |
C[C@@H]1CCC[C@H]1NC(=O)NCc1ccnc(N2CCCC2)n1 |
CC(C)[C@@H](CCC(=O)NC[C@@H](O)CCO)NC(=O)C[C@]12CCC[C@@H]1C2 |
CCN1CCC[C@H]1CC(=O)N1CCOC[C@@H](CNC(=O)C2CCCCCCC2)C1 |
CC(C)(C)/C=C/CC(=O)N[C@@H]1CN(C(=O)C2(C#N)CCCCC2)CC12CCC2 |
C[C@@H](N)COc1cccc(C(=O)OCc2cn(CCCSC(C)(C)C)nn2)c1 |
Cc1cc(CC(=O)N2CC[C@]3(CC[C@H](NC(=O)[C@H]4CC=CCO4)C3)C2)c(C)s1 |
C#CCCC1(CCC(=O)NCC[C@H]2CCN(C(=O)C3(O)CCC3)C2)N=N1 |
CCC[C@@H](C(=O)N1CCC2(CC[C@@H]2NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1)N(C)C |
CCc1nc(C)c(C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@]2(C)C[C@@H]2C)o1 |
COc1cccc(Cn2cc(C[C@@H]3COCCN3C(=O)c3cnccn3)nn2)c1 |
CC[S@@](=O)CC(=O)N1CCC2(CCCN2C(=O)[C@@H](CC(C)C)OC)CC1 |
CNC(=O)CCCNC(=O)[C@H](CC(C)C)ONC(=O)CSC(C)C |
CC=C(C=CC(=O)N1CCC[C@@H]1CCNC(=O)c1cnc2cc(C)nn2c1)CC |
CCCc1noc(CCC(=O)N2CCN(C(=O)[C@@H]3CNC(=O)C3)[C@H](CCO)C2)n1 |
CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)CCN(CCO)C(=O)c1cccc(F)c1F |
CCOC(=O)c1nc(C)n(C)c1NC(=O)c1ccnc(CNC(=O)[C@@H](C)O)c1 |
CC[C@@H]1CN(C(=O)[C@@]2(C)CCN2C(=O)CCN2C(=O)C=CC2=O)CCO1 |
Cc1nccc(C(=O)NCC[C@H](C)CCNC(=O)c2c(F)cc(F)c(F)c2F)n1 |
C[C@H](COCC1CC1)NC(=O)[C@@H]1CN(C(=O)Cc2cscn2)CC12CCC2 |
CO[C@](C)(CO)C(=O)N(C)C[C@H](C)NC(=O)c1ccc(Sc2ccccc2)cc1 |
CN(C[C@H]1CCCN(C(=O)CS(=O)(=O)N(C)C)C1)C(=O)Cc1csc(Cl)n1 |
Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C)CC1 |
CCCn1ccc(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCc4c[nH]nc43)C2)n1 |
COc1nn(C)cc1C(=O)N1CCN(C(=O)c2cc(C#N)[nH]c2C)C[C@@H]1C(C)C |
C[C@H]1CCO[C@H]1CC(=O)NCCC1CN(C(=O)c2ncncc2Br)C1 |
O=C(C1CCC(F)CC1)N1CCN(C(=O)c2ccncc2Br)[C@H](C2CC2)C1 |
CC(=Cc1cccc(Cl)c1)C(=O)N[C@@]1(CO)CCCN(C(=O)[C@H](O)CC(N)=O)C1 |
O=C(NCC[S@@](=O)c1ccccc1F)NC1(Cc2ccc(Br)cc2F)CC1 |
COc1cc(CN(C)C(=O)[C@@]23C[C@@H](CO2)N(C(=O)c2ccc(C(N)=O)[nH]2)C3)on1 |
O=C(NCCNC(=O)[C@@H](c1ccccc1)n1cccc1)c1cc2n(c1)CCSC2 |
O=C(N[C@@H]1CCN(c2cccnc2)C1)c1c(Cl)ccc2ccoc12 |
C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cnc2c(c1)CCC2 |
CON=CC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)N(C)Cc1ccccc1F |
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