smiles stringlengths 6 131 |
|---|
C[C@H](CC(F)(F)F)N(C)C(=O)[C@H]1C[C@]12CCN(C(=O)c1cnnc(O)c1)C2 |
CSC1(C(=O)NC2CC(O)(CNC(=O)C3CCC4(CCCCC4)CC3)C2)CC1 |
CNS(=O)(=O)NCC(=O)N(C)C1CCN(C(=O)[C@@H]2CCOC[C@H]2C)CC1 |
COc1ccccc1C[C@H](C)CC(=O)NC1(c2ccc(Br)s2)CC1 |
CC1(C)CO[C@@H](C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2occc2F)C1 |
CC(C)=CC(=O)N1CCC(O)([C@H](C)NC(=O)C[C@@H]2CC3(CCC3)CO2)CC1 |
COc1ccc(CN=c2ccc(NC(=O)c3c(Cl)cc(Br)cc3Cl)c[nH]2)c(O)c1 |
CCOC(=O)CCc1cc(=N[C@H](C)CCNC(=O)C=C2CCCCC2)[nH]c(C)n1 |
Cc1[nH]nc(C(=O)N[C@@H]2CN(C(=O)c3cc(Cl)ccc3F)CC(F)(F)C2)c1C |
CCN(C[C@H](C)NC(=O)c1csnc1Br)C(=O)[C@H](C)c1ccncc1C |
CC(C)/C=C/CCC(=O)N1CCC[C@@H](NC(=O)C2(O)CC2)[C@H](F)C1 |
CNC(=O)CN(C)S(=O)(=O)CCCC(=O)NCCNC(=O)[C@H]1Cc2ccccc21 |
CC(=O)N[C@@H](C(=O)N1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1)C(C)C |
C#CC[C@@H](C(=O)N1C[C@@H]2C[C@]2(CNC(=O)CNC(=O)CCCCO)C1)C1CC1 |
C#CC[C@H](CC(=O)N1CCC2(C=CCO2)CC1)NC(=O)c1sccc1CC |
C[C@@H](C(=O)NCC1(CNC(=O)CCC(F)(F)C(F)F)CCCC1)C1CCOCC1 |
CC[C@](C)(CNC(=O)C1(NC(=O)C[C@H](C)OC)CSC1)C(N)=O |
Cc1cc(F)cc(C)c1C(=O)N[C@H]1C[C@@H]2C[C@H](NC(=O)C(=O)C(C)C)[C@@H]2C1 |
CC=C[C@H](O)C(=O)NC[C@@](C)(CC(C)C)NC(=O)C1CC(C)(C)C1 |
COc1cc(C(=O)N2CC3(C[C@@H](NC(=O)c4cnc(C(C)C)s4)CO3)C2)n(C)n1 |
Cc1cccc(C)c1[C@@H](O)C(=O)NCC[C@H]1CSCCN1C(=O)CCF |
C[C@@H](NC(C)(C)C)C(=O)NCCc1ccc(CNC(=O)c2cscc2F)cc1 |
CC1=NO[C@@H](C(=O)N2CC(C3CN(C(=O)Cc4c(F)cccc4Br)C3)C2)C1 |
C[C@@H]1CC[C@H](CC(=O)N2CCC[C@H](CCNC(=O)CN3C(=O)CNC3=O)CC2)C1 |
CC1(CC(=O)NCC[C@H](Cc2ccccc2)NC(=O)c2cnsn2)CC1 |
CC(C)=C(Br)C(=O)N[C@H]1C[C@@](C)(NC(=O)CCN2CCC(C)CC2)C1 |
C=CCC1(C(=O)N[C@H](C)CNC(=O)CCc2cncc(C)c2)CCC1 |
C=CCCC(=O)N1C[C@@H](C(=O)Nc2ccnc(C(=O)OC(C)(C)C)c2)C[C@@H](F)C1 |
CCCCS(=O)(=O)CC(=O)N[C@H]1CC[C@@H](C)N(C(=O)C(C)(C)CCCO)C1 |
COCC[C@@H](NC(=O)/C(C)=C/CNC(=O)CC1=CCCCC1)C(C)C |
Cc1ccc(Br)c(C(=O)N2CC[C@](C)(NC(=O)[C@H]3OCCO[C@H]3C)C2)c1 |
COCC(C)(C)CC(=O)N[C@H](C)[C@H](C)C(=O)NCc1cnnc(C)c1C |
CCc1nc(C)c(C(=O)N2CC(C)(OCC(=O)N(C)[C@H]3CCC(C)(C)C3)C2)o1 |
COc1ccc([C@H](C(=O)NCC2CC2)N(C)[C@@H](C)C(F)F)cc1OCCO |
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cnc(=N)[nH]c2)C[C@@H]1C1CC1 |
Cn1ncc2c(NCCn3cccn3)[nH]c(=N[C@H](CCO)C3CC3)nc21 |
CNC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2ncccc2OC)C[C@@H]1C(C)C |
O=C(c1c(Cl)cccc1Br)N1CCOC2(CN(Cc3cc(O)ccc3F)C2)C1 |
CCC[C@@H](C(=O)N[C@H](CCCOC)C(=O)NCc1n[nH]cc1CC)N(C)C |
CC[C@H](CN=c1[nH]c(=N)[nH]c(=N[C@H](C)c2ccn(-c3ccccc3C)n2)[nH]1)OC |
CCOC(=O)N(C)CC(=O)NCCN(C(=O)CCC(F)(F)F)C1CCCC1 |
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)C(=O)[C@@H](C)P(C)(C)=O |
CN1CCCC[C@@H]1CC(=O)N(C)[C@H]1C[C@@H](NC(=O)C[C@@]23CCC[C@H]2C3)C1 |
Cc1cc(Cl)cc(C(=O)NCCC[C@@H]2CCCN2C(=O)CNS(N)(=O)=O)c1 |
C=C(C)C(C)(C)C(=O)N1CC[C@@H]2C[C@H](CNC(=O)[C@H](CC)CC(F)F)CC[C@@H]2C1 |
CC(C)N(CCNC(=O)[C@H]1CCN(C)[C@H]1C)C(=O)CCc1ccccc1Cl |
CN(Cc1cc(I)c(F)cc1F)C(=O)c1cc(O)c2ccoc2c1 |
O=C(C[C@H](O)C1CCCC1)N[C@H]1C[C@H](NC(=O)C2CCCCCCC2)C1 |
CC=CC=CC(=O)N1C[C@@H](CNC(=O)COCCOCC)CC12CCC2 |
Cc1nc(F)ccc1-c1cn(C[C@@H]2CCCN2C(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn1 |
CCC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](Nc3ncccc3[N+](=O)[O-])C2)C1 |
C[C@@H](CNC(=O)c1cnn(CC(F)F)c1)CNC(=O)c1coc(C(F)F)n1 |
COC(=O)c1sccc1C(=O)NCC[C@H](C)NC(=O)CC12CCC(CC1)C2(C)C |
CC(C)c1n[nH]cc1C(=O)N1C[C@H]2[C@H](CNC(=O)C=C3CCC3)C[C@H]2C1 |
CCC[C@H](C)CC(=O)NCC1(OC)CN(C(=O)[C@@H](CC(C)C)n2ccnc2)C1 |
CCc1oc(C)cc1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H](CC)SC)C[C@@H]21 |
COc1cncc(C(=O)N[C@H](C)[C@H](C)NC(=O)c2ccc3oc(O)nc3n2)c1C |
CC(C)CC(F)(F)C(=O)NC[C@H]1CCN(C(=O)[C@H]2C[C@H]2F)C1 |
O=C(NCC(F)F)[C@H](c1cccc2cncn12)N1Cc2ccccc2[C@H]1CCO |
COCCC(=O)N1CCN(C)[C@H](CNC(=O)[C@H](c2ccccc2)N2CCCC2)C1 |
Cc1cc(O)ccc1CNC(=O)[C@]1(F)CCN(C(=O)[C@H]2CN3CC[C@H]2C3)C1 |
CCn1cc(Cl)c([C@H](C(=O)NC2CCCC2)N(C)[C@H](CC(=O)OC)CC(C)C)n1 |
C[C@H](CCC(=O)NC[C@H]1C[C@H](CN(C)C)C1)NC(=O)c1ccc(CO)cn1 |
CC(C)COCC(=O)N1CCN(C(=O)C[C@@H]2COc3ccccc32)[C@H](C2CC2)C1 |
CCc1ccc(NC(=O)c2noc3c2C[C@@H](NC(=O)[C@@H](C)OC)CC3)cc1Cl |
C=CC(C)(C)C(=O)N1CC[C@@]2(C[C@H](NC(=O)CCCc3ccsc3)CO2)C1 |
CCNc1scnc1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H](CC)CCOC |
CCN1CC[C@H](C(=O)N2C3CCC2(CNC(=O)[C@@H]2CCSC2)CC3)C1 |
CC(C)(CC(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCCS3)C[C@@H](C1)O2)C1CC1 |
Cc1ccnc(C(C)(C)C(=O)N2[C@H](CNC(=O)[C@H]3C=CCCC3)[C@H]3CC[C@@H]2C3)c1 |
C=CC[C@H](CNC(=O)c1cnc(CC)o1)NC(=O)[C@H]1CC2CCC1CC2 |
CCO[C@@]1(C(=O)NCC2(C(=O)N(C)CC[C@H]3CCCO3)CC2)CCOC1 |
Cc1cccc(OCC(=O)N[C@H](C)CCN(C)C(=O)C2(n3cnnn3)CC2)c1F |
CC1(C)[C@H](CNC(=O)C2CC(CC(F)F)C2)CCN1C(=O)C1CC1 |
C[S@](=O)C=CC(=O)N[C@]1(CO)CCCN(C(=O)C2CCC(F)(F)CC2)C1 |
CC[C@H]1CC[C@H](C(=O)N(C)CCN(C)C(=O)c2cn(C)nc2C)O1 |
CC[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)Cn1cnc3c(N)ncnc31)C2 |
Cc1cc(C(=O)N[C@]2(C(=O)NCC(C3CC3)C3CC3)CCC[C@H]2C)c[nH]c1=N |
Cc1ccnn1[C@H](C)C(=O)N1CC[C@](C)(C(=O)N(C)[C@@H](CC(C)C)C(N)=O)C1 |
C/C=C/CCNC(=O)[C@H]1CC12CC(NC(=O)[C@H]1CCCN1C)C2 |
Cc1cnc(C(=O)N2CC(F)(C(=O)NCCOCC(F)F)C2)cn1 |
CCCCc1nc(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3CC(=C4CCC4)C3)C2)cs1 |
CC[C@](C)(C(N)=O)C(=O)N1CC[C@@H](n2cc(CNC(=O)C3(F)CCCC3)nn2)C1 |
CC[C@@H](C)C(=O)C(=O)N1CCC[C@@H]1C1(NC(=O)C(C)=C2CCCC2)CC1 |
C[C@H]1CN(C(=O)c2csc3nnsc23)CC[C@@H]1NC(=O)C=Cc1cnc[nH]1 |
Cc1cccc(C(=O)N2[C@H]3CCC[C@H]2CN(C(=O)[C@H]2CCOC2(C)C)CC3)c1N |
CCCC(=CC(=O)N[C@H](CNC(=O)[C@H]([C@@H](C)OC)N(C)C)C1CCCC1)CCC |
Cc1ccccc1CC(=O)N(C)[C@@H](C)CCNC(=O)C1(C(=O)NC2CC2)CCC1 |
C=CCC(CC=C)C(=O)N1C[C@@H](C)[C@H](CNC(=O)[C@@](C)(O)C2CCC2)C1 |
CC(C)c1cccc(C(=O)NCC2(CNC(=O)[C@H](CC[S@](C)=O)N(C)C)CC2)c1 |
CCCCCN=c1nc2c(ncn2C(C)C)c(NCc2c(O)nnc(C)c2C)[nH]1 |
CN(CC1(F)CCCC1)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 |
CCC[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CCc3csc(C)n3)CC[C@@H]21 |
Cc1cc(C(=O)N[C@H]2CC[C@@H](N(C)C(=O)[C@H](C)C[C@H]3CCCO3)CC2)sc1C |
CO[C@H]1CCC[C@](NCC(C)(C)c2ccc(Cl)c(Cl)c2)(c2nnnn2C)C1 |
C[C@H](CO)NC(=O)C(C)(C)NC(=O)[C@H](O)C(C)(C)C |
CCC[C@H](CNC(=O)c1cc(O)nc(C)n1)C(=O)N[C@]1(C)CC1(C)C |
N#CCCCC(=O)N[C@H](CNC(=O)Cc1ccn(CC(F)(F)F)n1)[C@H]1CCOC1 |
O=C(NC[C@H]1C[C@H]2CC[C@H]1N2C(=O)COC1CC1)C1=COCCC1 |
COCC(=O)NCCC(=O)NC1CCC2(CCCN2C(=O)C2CC(C)(C)C2)CC1 |
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