smiles stringlengths 6 131 |
|---|
CC1(O)CC2(CN(C(=O)C(=O)Nc3cnn(Cc4cccnc4)c3)C2)C1 |
NC(=O)c1cccnc1NC(=O)c1ncccc1NC(=O)c1ccc(Br)cc1Cl |
COC[C@H](CNC(=O)CO[C@@H]1CCCOC1)NC(=O)Cc1cccc2[nH]ncc12 |
CCC1(C(=O)N[C@H](C)CC2CN(C(=O)CCn3ccnc3)C2)CCC(F)(F)CC1 |
O=C(c1ccn2ccccc12)N1CCN(C(=O)CN2CCS(=O)CC2)[C@@H]2CC[C@@H]21 |
CCC1(C(=O)NC[C@]2(F)CCN(C(=O)C[C@@H]3CCCCC3(C)C)C2)CCCCC1 |
CC(=O)N1CCO[C@@H](C(=O)NCC[C@@H](O)CNC(=O)c2ccnnc2O)C1 |
O=C(CNC(=O)[C@H]1CC[C@H](C2CC2)N1C(=O)CN1C(=O)CCCC1=O)NCCO |
O=C(N[C@@H]1CN(C(=O)c2ncsc2C2CC2)C[C@H]1O)c1cc2c(nn1)CCCO2 |
CC(C)C[C@@H](C(=O)N1C[C@@H]2CC[C@]2(CNC(=O)C2(O)CC2)C1)N(C)C |
CCCNC(=O)NC(C)(C)C(=O)NCCCN(CC)C(=O)c1cnc(Cl)n1C |
CCN1CCC[C@@H]1C(=O)N1CC(CCO)(NC(=O)C=Cc2ccnn2C)C1 |
COc1ccccc1C(=O)NCC1(F)CC(NC(=O)c2nccc3n[nH]cc23)C1 |
CC[C@H](C)[C@@H](C)NC[C@@H](C)c1ccc(OC)cc1 |
CN(C[C@@H]1CCCN(C(=O)c2cccnc2S)C1)C(=O)[C@@H](CCO)N(C)C |
CO[C@H]1CC[C@@H]1CC(=O)N1CCCN(C(=O)Cc2ccnn2C)CC1 |
COCC1(NC(=O)Cc2c(C)cc(C)cc2C)CN(C(=O)C2(C(C)(F)F)CC2)C1 |
C#C[C@]1(O)C[C@@H](C(=O)NC[C@](C)(CC)C(=O)N[C@H](C)C2CCC2)C1 |
C[C@@H](CCN(C)C(=O)c1cnc(C(F)F)cn1)NC(=O)[C@@H]1CCCC(=O)N1C |
NS(=O)(=O)CCC1(C(=O)N[C@@H]2C[C@H]2C2CCN(C(=O)C3(O)CCC3)CC2)CCC1 |
CP(C)(=O)[C@@H](Cc1nc(-c2cc(Cl)ccn2)nn1CCCCO)C(F)(F)F |
CCCCn1cc(CN(C)C(=O)c2c(C)nn(CCO)c2C)nn1 |
O=S(=O)(Cc1cc(Cl)ccc1F)NC1(CO)CC2(CCOCC2)C1 |
CC(=O)NCC(=O)N1CCC(C)(C)[C@@H](CNC(=O)CSc2ccc(C)c(C)c2)C1 |
C[C@H](NC(=O)c1cc2c(nc1N)CCCC2)[C@@H](C)NC(=O)c1ccc(Cl)cc1F |
CCC1(CC)CN(C(=O)[C@@]2(C)C=CCN2C(=O)c2cc(OC)n[nH]2)C1 |
COC[C@@H](C)[C@H](C)C(=O)NC1(CNC(=O)c2cc(F)cc(C3CC3)c2)CCC1 |
Cc1ccc(N2CC[C@@H](NCc3nc4ccccc4n(C)c3=O)C2=O)cc1 |
NC(=O)C(NC(=O)C1=C(F)CN(C(=O)Cc2cnoc2)CC1)C(N)=O |
CC(C)n1cnc2c(NCC[S@](C)=O)[nH]c(=NCc3cc(Br)ccc3N)nc21 |
C[C@@](O)(C(=O)NC[C@]1(NC(=O)c2cnncc2O)CCOC1)c1ccccc1 |
CCCc1ncc(CNC23CCC(NC(=O)c4cc(C)n(C)c4)(CC2)C3)s1 |
Cc1cc([C@H](C(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)C(C)C)on1 |
Cc1nc([C@H](NC(=O)NCc2cccnn2)c2ccccc2)n[nH]1 |
CCCC[C@@H](CNC(=O)CCCn1nc(C)cc1C)NC(=O)c1cnn(C)c1Cl |
Cc1ccc(NC(=O)[C@@H]2CC3(CC3)CN2C(=O)c2ccc3ncncc3c2)cn1 |
CC(C)[C@H](C)C(=O)NC[C@@H]1CC(C(=O)NCC2CC(=C3CCC3)C2)=NO1 |
Cc1cc(=NCc2cnn(C)c2Br)[nH]c(N2CC[C@](C)(CC#N)C2)n1 |
CN(C(=O)CN1CCCC[C@H](O)C1=O)C1CN(C(=O)c2cc(F)cnc2O)C1 |
Cc1ccccc1NC(=O)NCCc1cnc(NC(=O)[C@@H](C)n2cccn2)s1 |
C=CC1(C(=O)N2CC[C@H](NC(=O)C3CC4(CC[C@H]4O)C3)C[C@H](O)C2)CCC1 |
COc1cc(C(=O)NC2(C(=O)NC(C)(C)CF)CSC2)ccn1 |
Cc1snc2sc(C(=O)N3[C@H](C(=O)NCc4ccccc4F)C[C@H]4C[C@@H]43)cc12 |
COc1cc(C(=O)N(CCN(C)C(=O)c2nccnc2C)C(C)C)ccc1C |
COc1ccc(CCC(=O)NC[C@@H](O)CNC(=O)c2cnn(C3CC3)c2Cl)cn1 |
Cc1cccc(CC(=O)N(C)[C@H](C)CCNC(=O)[C@]23C[C@@H]4C[C@@H]2[C@H]3[C@H]4O)c1 |
C[C@@]1(CO)C=CCN1C(=O)[C@@H](O)CCNC(=O)C[C@H]1CCCC12CC2 |
CC[C@](C)(OC)C(=O)N1C[C@@H](C)O[C@]2(CCN(C(=O)CCN3CCCCC3)C2)C1 |
C[C@@H](C(=O)N(CCO)CCO)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 |
COC(=O)c1ncc[nH]c1=N[C@@H](C)CNC(=O)CCc1ncc(F)cn1 |
Cc1cccnc1NC(=O)[C@@H]1CN(c2ncnc3sc(C(C)(C)C)cc23)CCO1 |
C[C@@H](/C=C/C(=O)N(C)[C@H](C)CN(C)C)NC(=O)C1Cc2ccccc2C1 |
CC[C@@]1(CNS(=O)(=O)c2c[nH]ccc2=NC[C@@H]2CCSC2)CCC(=O)N1 |
Cc1cn2cc(C(=O)NCCCCNC(=O)[C@H]3C[C@]3(C)C(C)C)cc(C)c2n1 |
COc1cc(NC(=O)c2csc3c2CCN(C(=O)C2CC(C)(C)C2)C3)ncn1 |
O=C(NCC1(Cl)CCOCC1)N1CCC[C@H](c2ncc3n2CCCC3)C1 |
C#CC[C@]1(C(=O)NC[C@@H](NC(=O)C2(CCOC)CC2)C2CCCC2)CCOC1 |
CCN(C(=O)[C@@H]1CC12CC(NC(=O)c1cnc(C)cc1C)C2)[C@H]1CCC(=O)NC1 |
CN(C)C[C@@H]1C[C@@H]1C(=O)N1CCOC[C@@H]1CN(C)C(=O)CCCC1CCCCC1 |
O=C(CCOC1CC1)NC[C@H]1CCCCN(C(=O)CSC(F)(F)F)CC1 |
CC(C)CC(=O)NCCCOCCNC(=O)c1cc(S(N)(=O)=O)cn1C |
O=C(C[C@H]1CSCCS1)NCCC[C@H]1CCCN1C(=O)c1ncccc1F |
Cc1nnc(COCC(=O)N[C@H]2C[C@H]3C[C@H]2CN(C(=O)c2nn(C)cc2C)C3)s1 |
C[C@H]1C[C@@H](C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)c2sc3ncccc3c2N)CCS1 |
Cc1ccoc1C(=O)N1CC(=O)NC[C@H]1C(=O)NCC[C@H](O)C1CCC1 |
Cc1ccc(O[C@H](C)C(=O)N[C@H]2C[C@@](F)(CNC(=O)[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)cc1 |
CN(CC1(O)CN(C(=O)[C@@H]2CCCC2(C)C)C1)C(=O)CSCC(N)=O |
CCC[C@H](CCNC(=O)CC[C@@H](NC(=O)C=CCOC)C(C)C)C1CC1 |
CC(C)(C)c1cc(C(=O)NC[C@@H]2CN(Cc3c(O)ccc(F)c3F)CCO2)no1 |
Cc1cocc1C(=O)N1CCC2(CCCN2C(=O)[C@@H]2CC[C@@H](F)C2)CC1 |
Cc1cc(C(=O)N[C@@H]2CN(C(=O)C[C@H](C)c3cnn(C)c3)C[C@@H]2O)cnc1O |
CN(C)c1nc2cc(C(=O)N3CC(C)(NC(=O)CCc4cccs4)C3)ccc2o1 |
CCC[C@H](CNC(=O)CSc1nnc(S)s1)CC(CC)CC |
CCn1cnc(C(=O)N[C@@](C)(C(=O)Nc2cnn(CCF)c2)C2CCC2)c1 |
Cc1oc(C)c(C(=O)NC[C@H]2[C@@H]3C[C@H]2CN3C(=O)[C@@H](O)CC[S@@](C)=O)c1C |
CSC[C@H](O)C(=O)N[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccn3cncc3c1)C2 |
Cc1cnn(C[C@H](C)NC(=O)[C@H]2CC(=O)CN2C(=O)[C@H](C)N2CCOCC2)c1 |
C#CCCCC(=O)N1CC2(CCC[C@@H](CNC(=O)c3ocnc3CC)O2)C1 |
C#Cc1cccc(C(=O)N2CC(N(C)C(=O)c3cccc4sccc34)C2)c1F |
COCCn1nnnc1[C@@H](C[C@@H]1CCCC(C)(C)O1)Nc1ccc(C2CC2)nc1 |
CN=c1nc(N2CC[C@](CO)(C(F)(F)F)C2)[nH]c(=NCc2csc(C)c2C)[nH]1 |
CCOCCC(=O)NC[C@H](C)N1CCN(C(=O)Cc2cccs2)CC1 |
NC(=O)N1CCC[C@H]1C(=O)N1CC2(CC2)C[C@H]1CC(=O)NCc1ccncc1 |
COC1CC2(C1)CN(C(=O)CC[C@H]1CCCN1C(=O)CC[C@@H]1CCCO1)C2 |
Cc1c(C(=O)N2CC(C)(C(=O)N3CC[C@H]3C3CCCC3)C2)c[nH]c1C#N |
CC1=C(C(=O)NCCC[C@H]2CCCN2C(=O)C=C2CCCCC2)C(C)(C)CCC1 |
CCOC(CC(=O)N[C@@H]1CC[C@H](C)N(C(=O)CCCC(C)(C)CC)C1)OCC |
C[C@H](NS(=O)(=O)c1ccc(NCC2(C(N)=O)CC2)nc1)c1cc(F)ccc1F |
CCC[C@H](O)CC(=O)NC1(CCNC(=O)C[C@](C)(O)COC)CCCC1 |
CCN(CC)C[C@H](F)C(=O)N1CCN(C(=O)c2ccc3c(c2)CC3)CC2(CC2)C1 |
C[C@H](Cc1nccn1C)NC(=O)C[C@H](NC(=O)C[C@@H]1CCCC12CC2)C(F)(F)F |
C[C@@H]1CC[C@@H]1C(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]2CN3CCN2CC3)CC1 |
CN(C(=O)c1cc(-c2ccncc2)no1)[C@H]1CCC[C@@H](NC(=O)CSC(F)F)C1 |
C=CC[C@@H](CNC(=O)[C@H]([C@H](C)O)N(C)C)NC(=O)c1ccccc1 |
O=C(COc1ccc(F)cn1)NCCOCCOCCNC(=O)[C@@H]1CCNC1=O |
C[C@H]1CC(C)(C)CN1C(=O)C(=O)N=c1nc[nH]n1C |
CC(=O)c1cccnc1NC[C@H]1CN(C(=O)c2cnoc2C)C[C@H]1C |
Cc1nc(SC(C)C)cc(N2CCN(C(=O)[C@H]3CC(C)(C)CN3C)CC[C@@H]2C)n1 |
COc1ccc([C@@H](CC(N)=O)N[C@H](c2cnn[nH]2)c2nnnn2CCCF)cn1 |
CC(C)NC(=O)[C@@H](c1nnn(C)n1)N(C)C[C@@H](C)C#N |
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