smiles stringlengths 6 131 |
|---|
C[C@H](OCC(F)(F)F)C(=O)NCc1nc2c(s1)CN(C(=O)c1cnc[nH]1)CC2 |
C=C=C(C)CC(=O)N[C@@H](C)[C@H](C)NC(=O)C1(c2cc(Cl)ccc2F)CCC1 |
CCCn1nccc1C(=O)NC[C@]1(NC(=O)Cc2nnc(C)o2)CCCC[C@H]1C |
C=CCC1(C(=O)N[C@H]2CCN(C(=O)c3cccn4cnnc34)[C@@H](C)C2)CC1 |
CCC(=O)N1CSC[C@H]1C(=O)NCC(C)(C)NC(=O)Cc1ccc(OC)cc1F |
CC1=NO[C@H](C(=O)OCc2csc(C3CCCC3)n2)[C@H]1C |
Cc1cncc(CCC(=O)NC[C@H]2CN(C(=O)C3(C)CC(F)C3)CCC2(C)C)c1 |
CCCC1(C(=O)N[C@H]2C[C@H](F)CN(C(=O)C(F)(F)[C@H](C)O)C2)CCC1 |
C=CC[C@@H](C)NC(=O)[C@@H](O)C1CN(C(=O)c2ncc[nH]2)C1 |
CCC[C@H]1CN(C(=O)C2=C(C)CCC2)C[C@H]1NC(=O)C[C@@H]1CC1(Cl)Cl |
COc1cccc(N(CCc2nn[nH]n2)C(=O)C=Cc2ccc3c(c2)CCO3)c1 |
CN=c1nc(N2C[C@H](C)O[C@@H](C)C2)[nH]c(=N[C@H]2CC[C@H](O)CC2)[nH]1 |
C[C@@H](NC(=NC[C@H]1CCCN1C)NC[C@H]1CN2CCN1CC2)c1ccccc1 |
CCCCNC(=O)[C@H](c1n[nH]c(C)c1Cl)N(C)c1cc(C)c(Br)c(C)c1 |
CSCCCN=C(NCc1ccc(C(N)=O)cc1)N[C@@H](C)C1(S(C)(=O)=O)CC1 |
CC[C@@H]1CN(C(=O)C(C)(C)[C@@H]2CCN(C(=O)c3nnn(C)c3C)C2)CCO1 |
CC[C@H](C)[C@@H](CO)NC(=O)[C@@]12C[C@@H](CO1)N(C(=O)CCCCC(N)=O)C2 |
C[C@@H](C#N)C(=O)NCCCOCCN(C)C(=O)C[C@@H](O)CC(C)(C)C |
COc1cc(C(=O)N[C@](C)(CNC(=O)CC[C@@H]2CC2(Cl)Cl)C2CC2)ccn1 |
O=C(NC[C@H]1CC[C@@H](CO)O1)[C@@H]1CNCC12CCCCC2 |
CC[C@H](CN(C)C[C@H]1CCCN1C(=O)Cc1cc(F)ccc1F)OC |
CCN(CCCNC(=O)c1cnc2sc(C)c(C)n12)C(=O)C=Cc1nc(C)co1 |
CCC1(C(=O)N2CC[C@H]2CC(C)(C)C)CN(C(=O)CCCn2ccnn2)C1 |
O=C(C[C@H]1CCCN1C(=O)N1C[C@H]2C[C@H]2C1)c1cccs1 |
Cc1ccc2[nH]c(C(=O)NC[C@@]3(F)CCN(C(=O)[C@@]4(C)C=CCCC4)C3)cc2c1 |
COC[C@]1(C)C[C@H](NC(=O)CCCCCC(C)(C)C)CN1C(=O)[C@H](F)C(C)(F)F |
Cc1cc(F)ccc1C(=O)NC12CC(CNC(=O)[C@@H](C)O)(C1)OC21CCOCC1 |
CCn1ccnc1C(=O)N1CCCCC[C@H]1CNC(=O)C1=CCCCO1 |
COc1ccc2c(n1)[C@@H](C(=O)N1CCN(c3nc(C)cc(O)n3)CC1)CC2 |
C=CCCC[C@@H](NC(=O)c1c[nH]c(=NC)s1)C(=O)N[C@H](C)c1nnnn1C |
CC[C@@H](CCOC)C(=O)NC[C@]1(F)C[C@@H](NC(=O)CSCC(=O)OC)C1 |
CCC(=O)NCC(=O)N1CC[C@](C)(NC(=O)/C=C/c2cncc(C)c2)C1 |
Cc1ccsc1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]2NC(=O)c2ccc(C(N)=O)cc2)C1 |
COc1ccc(C(=O)N(C)C[C@@H]2CCCN2C(=O)CSc2nncn2C)s1 |
C[C@@H](NC(=O)CCC1(NC(=O)c2ccc(F)c(F)c2)CCC1)[C@H](O)C(F)F |
CC(C)CC[C@H](NC(=O)C(F)F)C(=O)N1CCn2ncc(O)c2C1 |
CC(C)n1nccc1C(=O)N[C@@H]1CC[C@H]1NC(=O)c1snnc1C1CCC1 |
CCSCCC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1ncnc2c1ccn2C |
CNS(=O)(=O)[C@H]1CCN(c2nc(=NCCC(C)(C)CO)[nH]c3c2CCCC3)C1 |
CN1C[C@@H]2C[C@@]2(C(=O)Nc2ccc(C(=O)OC3CCCC3)cc2)S1(=O)=O |
CCn1nc(C(=O)NCC2(NC(=O)CCCc3ccsc3)CCCC2)cc1C |
C[C@@H](NC(=O)Cc1cccn1C)[C@@H]1CCCN(C(=O)c2nc(C(C)(C)C)no2)C1 |
C[C@H]1CCN(C(=O)c2c[nH]c(=N)c3[nH]ccc23)C[C@@H]1NC(=O)C(C)(C)F |
O=C(C1=CCCS1)N1CCN(C(=O)Cc2ncn3c2COCC3)[C@@H](CCO)C1 |
C[S@](=O)CCC(=O)N[C@]1(CNC(=O)CN2CCC(=O)NC2=O)CCOC1 |
CCn1cccc1C(=O)N1C[C@@H](NC(=O)c2ccc(C3CC3)c(F)c2)C[C@@H](C)C1 |
CC[C@H](Cc1ccccc1)N[C@]1(c2nnnn2CCSC)CCCC[C@@H]1F |
CCc1cc(C(=O)OCC(=O)[C@@H]2CC[C@H]3C[C@@H]3C2)ccc1F |
C[C@H]1CCO[C@H]1CC(=O)N1CC2(C(=O)NCC3(O)CC3)CCC1CC2 |
C[C@@H](CN(C)C(=O)CCC(=O)NN(C)C)NC(=O)[C@H]1CCCCS1(=O)=O |
CCSCCc1cn([C@H](C)C(=O)NC2(c3nc(C)cs3)CCC2)nn1 |
COCc1cc(C(=O)N2CC(O)(CN(C)C(=O)CN3CSCC3=O)C2)n[nH]1 |
CC[C@H](CNC(=O)/C=C/[C@@H](C)NC(=O)[C@@H](C)c1cccs1)CC(C)C |
C[C@H](NC(=O)Cc1cc(F)cc(Cl)c1)[C@@H]1CCCN1C(=O)[C@@H](C)NC(N)=O |
C[C@@H](CNC(=O)c1cc(C(F)F)nn1C)N(C)C(=O)c1ccc2n[nH]cc2c1Cl |
C#Cc1ccc(NC(=O)[C@H](CN(C)C)NC(=O)CCOC2CC2)c(C)c1 |
CC(=O)c1cccc(C(=O)NC[C@H]2C[C@@](F)(CNC(=O)[C@@H](C)CN(C)C)C2)c1 |
N#CC1(C(=O)N2CC(CNC(=O)CC[C@@H]3CC3(F)F)(C(N)=O)C2)CCOCC1 |
C=CCC(=O)N[C@@H]1CN(C(=O)c2cn3cc(C)ccc3n2)C[C@H]1OC |
CCCCC[C@H](O)[C@H](C)C(=O)NC1CCC(N(C)C(=O)CCN(C)CC)CC1 |
COC12CCC(C(=O)N(C)CCN(C)C(=O)[C@H]3CC4(CO3)CC(F)(F)C4)(CC1)C2 |
C[C@H](NC(=O)C=CC1CCOCC1)c1nc(C(=O)Nc2ccc(F)nc2)co1 |
CCN(C(=O)c1cncc(C)c1)[C@H](C)CNC(=O)c1cccc(C(N)=O)c1C |
Cc1cnn(C)c1CC(=O)N[C@H](C)CC1CN(C(=O)c2cnc(C(C)(C)C)[nH]2)C1 |
Cc1cc(Cl)ccc1C(=O)N1C[C@H](NC(=O)c2n[nH]c(C)c2F)CC1(C)C |
Cc1nc(N2C[C@@H]3C[C@]3(C(=O)Nc3ccc(C#N)c(Cl)c3)C2)c2c[nH]nc2n1 |
CN(C)Cc1ccc(C(=O)N(C)CCN(C)C(=O)[C@]2(C)CCCNC2=O)[nH]1 |
CO[C@H]1C[C@H](NC(=O)C2CN(S(C)(=O)=O)C2)CN(C(=O)[C@@H]2CC23CCSCC3)C1 |
CCCc1ccc(C(=O)N[C@](C)(CNC(=O)c2ccnn2C2CC2)C(C)C)cc1 |
CN(CC1(O)CN(C(=O)Cc2nnn(C(C)(C)C)n2)C1)C(=O)C(F)(F)C(F)(F)F |
CCCCC1(C(=O)N[C@@H]2CN(C(=O)c3cc(F)cc4ccccc34)C[C@H]2O)CC1 |
Cn1cc(-n2cc(C(=O)N3CCC[C@H](B(O)O)C3)ccc2=O)cn1 |
CC[C@@H](CN(CC)C(=O)[C@H](C)OCCN(C)C)NC(=O)CO[C@H]1CCOC1 |
O=C(NCCCn1cccn1)[C@@H]1CCN(C(=O)[C@H]2O[C@H]3CC[C@H]2C3)C12CC2 |
COC(=O)CC(=O)NCCCCNC(=O)c1cccc2nc(S)oc12 |
CS[C@@H]1CCC[C@@H]1C(=O)NCCN(CC1CC1)C(=O)c1cccc2cncn12 |
COC1(CNC(=O)C2([C@@H]3CCCO3)CCC2)CN(C(=O)CN(C)[C@H]2CCSC2)C1 |
CC1=C[C@H](C)CN([C@@H](C(=O)Nc2ccc(F)cc2)c2sc3ccccc3c2C)C1 |
Cc1cc(C(=O)N[C@@H]2CN(C(=O)CCC(C)C)C[C@@H]2C)c2cc(F)ccc2n1 |
CCOc1cccc(C=CC(=O)N2CCC[C@@H](N(C)C(C)=O)C2)c1 |
CCOC[C@@H](C)C(=O)N[C@@H](CC)CNC(=O)CCN1C(=O)CSc2ccccc21 |
CC(C)Cn1cc(C(=O)N[C@H]2CC[C@@H](NC(=O)c3cc(O)ncn3)C2)cn1 |
COCc1csc(C(=O)N2C[C@H](CNC(=O)Cn3ncn(C)c3=O)[C@H]3C[C@@H]32)c1 |
C[C@@H]1CC=C(C(=O)N[C@@H](CNC(=O)[C@@H](C)Cc2ccco2)C2CCCC2)CC1 |
CC[C@@H]1CC[C@H](C)N1[C@H](C(=O)NC[C@H]1CCCO1)c1ccnc(OC)c1 |
CON1C[C@H](C(=O)N2CCC[C@H](CNC(=O)Cc3cc(C)on3)CC2)CC1=O |
Cc1nc(C)c2c(C)c(CN[C@H](c3ccc(Br)cc3)C3CCC3)sc2n1 |
CC(C)(CNC(=O)C[C@H]1CC12CC2)[C@@H]1CCCN1C(=O)CC1CCS(=O)(=O)CC1 |
O=C(N[C@H](CCO)C1CCCC1)[C@@H]1COCCN(C(=O)[C@@H]2CCOC2)C1 |
Cc1ccn(CCC(=O)N2C[C@@H](CNC(=O)CCOC3CC3)CC[C@@H]2C)n1 |
C[C@@H](C(=O)Nc1ccc(Br)cc1[N+](=O)[O-])C1CCN(C(=O)CC#N)CC1 |
CC[C@@H](O)C(F)(F)C(=O)NCC[C@H]1CC(F)(F)CN1C(=O)CC1OCCO1 |
CC[C@H](C)NC(=NC[C@H]1CCN1C1CCCCCC1)NCc1ncc(C)s1 |
C[C@H](CCCOc1cccnc1)NC(=O)N[C@@H]1CCN(CC2CCCC2)C1 |
Cc1cc(=O)n(CCC(=O)NC[C@@]2(C)CCN(C(=O)[C@H]3CCC34CCC4)C2)cn1 |
Cn1cnc(C(=O)N2CC3(CCN(C(=O)[C@H]4C[C@@H]4C(C)(C)C)C3)C2)c1 |
O=C(CCn1ccnc1)N[C@H](CNC(=O)[C@@H]1CC[C@H]2C[C@H]2CC1)CC(F)(F)F |
Cc1ncc(Cl)c(C(=O)N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H](C)OC[C@@H]2CCCO2)n1 |
Cc1cc(F)cc(C(=O)N2CC[C@@H](CN(C)C(=O)C[C@H](C)C(C)(C)C)C2)c1N |
CC(C)COCC(=O)N1C[C@H](NC(=O)C(C)(C)c2ccc(Cl)nc2)CC(C)(C)C1 |
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