smiles stringlengths 6 131 |
|---|
N=c1ncn(CC(=O)N2CC[C@H]2CNC(=O)[C@H]2Cc3c(F)cccc3O2)[nH]1 |
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)COc1ccc(C(F)(F)F)cc1)[C@H](O)C1CC1 |
COc1c(C)ncnc1N1CCC2(CC1)C[C@H](NC(=O)[C@H]1CC=CCO1)CCO2 |
C[C@H](NC(=O)C(C)(C)c1cnsc1)C1CN(C(=O)C(C)(C)c2cccc(Cl)c2)C1 |
CCC[C@]1(NC(=O)c2ccc(SC)o2)CCCN(C(=O)[C@H](C)[C@@H](O)CC)C1 |
C[C@]1(CCNC(=O)[C@H]2CCC[C@H]2NC(=O)[C@]2(C)CC[C@@H]3C[C@@H]3C2)CCOC1 |
CN1CCC(NC(=O)[C@@H]2C[C@@]23CCN(C(=O)c2occc2Br)C3)CC1 |
COC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccccc2Oc2ccccn2)C[C@H]1F |
CC(=O)c1ccc(C(=O)N[C@H]2CC[C@@H]2NC(=O)c2cn(CCC(C)C)nn2)[nH]1 |
COc1cc(C)ccc1OCCC(=O)N1C[C@@H](NC(=O)C2CCC2)CC[C@@H](O)C1 |
Cn1ccc(CC(=O)NC/C=C/CNC(=O)Cc2c(F)c(F)cc(F)c2F)n1 |
Cc1cc(C)c(CC(=O)N2[C@H]3CC[C@H]2CN(C(=O)[C@H]2CSCN2C)CC3)s1 |
C=C1C[C@H]1C(=O)N[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(OC(C)C)nn1 |
CC(=O)CCN=C(NCCc1ccccc1C)N1CCC(CS(C)(=O)=O)CC1 |
O=C(Cc1ccc2c(c1)OC(F)(F)O2)N1CCOC[C@@H]1CNC(=O)C1(CO)CC1 |
CCc1nc(C)[nH]c1C(=O)N1CCC[C@@H]2CN(C(=O)Cc3cncn3C)CC[C@H]21 |
CCOC[C@@H](C)C(=O)N1CC=C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 |
COCCOCCC(=O)N1CCN(C(=O)c2cc(C(F)F)[nH]n2)CC1 |
CCC[C@@H](OC)C(=O)N[C@@H]1CN(C(=O)CC(F)(F)Cl)C2(CCC2)C1 |
O=C(Nc1cccc(F)c1[N+](=O)[O-])[C@H]1CN(S(=O)(=O)c2cnc(Cl)nc2)CCS1 |
C=CC(=O)NCC(=O)NCC1CCN(Cc2cc(I)c(C)c(I)c2)CC1 |
C[C@@H](NC(=O)c1cc(Cl)c[nH]1)C1(O)CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C1 |
CC[C@@H](SC)C(=O)N1CCCC[C@@H]1CN(C)C(=O)CCCNC(=O)c1ccsc1 |
Cc1[nH]ccc1C(=O)NC12CCC(C(=O)NCCC3CC(C)C3)(CC1)C2 |
CN(C)c1cncc(NC(=O)C2=CCN(C(=O)c3cnn(C)c3Cl)C2)c1 |
COc1ncc(C(=O)NC[C@H]2CCC[C@@H]2C(=O)NCc2cc(C(N)=O)no2)cn1 |
Cn1cc(N2CC[C@@H](C(=O)NCC3(NC(=O)C4CC5(C4)C[C@H]5F)CC3)C2=O)cn1 |
CC(C)CCCCC(=O)N1CC[C@@H](NC(=O)[C@H](C)Oc2ccccn2)[C@H](O)C1 |
CCN(C[C@H](C)OC)C(=O)c1cc(Nc2ccccc2)ncn1 |
COCC[C@H](CNC(=O)Cc1nc(-c2cccs2)oc1C)NC(=O)CSC |
Cc1nc(CCC(=O)N2C[C@@H]3CC[C@@H](NC(=O)CCS(C)(=O)=O)C[C@H]3C2)cs1 |
CCN=c1[nH]cnc2cc(C(=O)N(C)[C@H]3CCN(C(=O)C(C)(C)OC)C3)ccc12 |
COc1cc(F)c(Cl)cc1-c1ccsc1CO |
C[C@@H]1C[C@@H](NC(=O)Cc2cscn2)CCN1C(=O)[C@H](O)c1ccccn1 |
COc1ccc([C@H]2CCN(C(=O)[C@H](O)c3ncccc3C)C2)cc1 |
COc1ccc(CN2CCCC[C@H](NC(=O)c3nccnc3OC)C2)c(Br)c1O |
CC1(CC(=O)N[C@H]2CCN(C(=O)C[S@](=O)CCC(F)(F)F)C[C@@H]2O)CCCCC1 |
C=CC1(CC(=O)N(C)C[C@H](C)NC(=O)C(C)(C)c2c(C)noc2C)CCOCC1 |
CCCCCC[C@H](F)C(=O)N[C@H]1C[C@@H](NC(=O)c2cccc(F)c2N)C1 |
CCNC(=O)[C@H](C1=CCCSC1)N1CCSC[C@@H]1CC(=O)OC |
O=C(C[C@H](O)CC1CC1)NC1CC(NC(=O)c2ccc(=O)oc2)C1 |
CC1(NC(=O)C[C@H]2C[C@H]3CC[C@H]2O3)CN(C(=O)CN2CCC(=O)NC2=O)C1 |
C[C@H](O)[C@@H](C)C(=O)N[C@H]1C[C@@](F)(CNC(=O)c2cc(C#N)c3n2CCCC3)C1 |
CS[C@H](C)CC(=O)NCCCC[C@H]1CCCN(C(=O)c2scnc2C)C1 |
Cn1ccnc1CC(=O)N[C@H](CC(=O)N[C@H]1CCn2ncnc2C1)C(F)(F)F |
N#CCC(=O)N1C[C@@H]2CC[C@H](NC(=O)[C@@H]3Cc4ccccc4CO3)C[C@H]2C1 |
CN(C(=O)C1CC(F)(F)C1)C1CN(C(=O)CN2Cc3ccccc3C2)C1 |
O=C(NC[C@@H]1C[C@H](F)CN1C(=O)c1n[nH]c2c1CSCC2)c1cnn(C2CC2)c1 |
Cc1ccc(-n2cc(C(=O)NCCN3CC=CCC3)nn2)cc1 |
CN(CCC1CCN(C(=O)c2cccnc2C(F)F)CC1)C(=O)[C@H]1CC(=O)N1 |
CS(=O)(=O)CCCC(=O)NCCC1(CNC(=O)[C@H]2COC(=O)C2)CC1 |
Cc1cn2cc(C(=O)N3CCC[C@H](CNC(=O)C4CCCC4)CC3)sc2n1 |
Cc1nc(CNCC23CCCN(CCC2)C3)oc1C |
CSC1CN(C(=O)c2cc(CNC(=O)[C@H]3CC[C@@H]3C)ccn2)C1 |
CCOCC(=O)N[C@@H](CC(=O)N[C@@H]1CNC(=O)C1)C(F)F |
CO[C@@H](C)CCNC(=O)CCC[C@@H](C)NC(=O)[C@H](C)N=[N+]=[N-] |
COC(=O)[C@]12C[C@H]1CN(c1ncnc3c1ncn3CC1(CO)CCC1)C2 |
C[C@@H](CC(F)F)C(=O)N1C[C@@H](CO)C2(CN(C(=O)Cc3ccnc(F)c3F)C2)C1 |
Cc1c(C(=O)N[C@@H](C(=O)N2CCCC3(CCC3)[C@@H]2C)C2(C)CC2)nnn1C |
CCCCNC(=O)[C@H]1CC12CN(C(=O)C=Cc1ccc(Cl)c(Cl)c1)C2 |
CCC(C)=C(C)C(=O)N[C@@H](C)CCC(=O)N1C[C@@H](C)NC(=O)C12CC2 |
Cn1nnc2ccc(NC(=O)Nc3ccccc3[C@H]3CCOC3)cc21 |
CC(C)(C)C(C)(C)C(=O)N1CC2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 |
COc1cc(C)ccc1C(=O)N[C@@H](CO)CNC(=O)C[C@H]1CCSC1 |
CNC(=O)C(C)(C)C(=O)N1C[C@@H]2CC[C@@]2(CCNC(=O)C2(OC)CCOCC2)C1 |
CC[C@@H]1OCC[C@H]1C(=O)NC[C@]1(C)CCCN1C(=O)c1cc(-c2cccs2)[nH]n1 |
O=C(NC[C@]1(F)CCCN(C(=O)C(F)(F)C(F)(F)F)C1)[C@H]1C[C@H]2C=C[C@@H]1CC2 |
Cc1n[nH]cc1[C@@H](C)NCCC1=CCNCC1 |
CCOC(=O)C1(C(=O)N2CC[C@H](N(CC)C(=O)[C@H]3C(Cl)(Cl)C34CC4)C2)CCCC1 |
O=C(Cn1cc(C(F)(F)F)nn1)N[C@@H]1CN(C(=O)CSCc2ncc[nH]2)C[C@@H]1O |
Cc1nc(C(=O)N2CCN(C)[C@@H](CNC(=O)c3cnc4n3CCC[C@@H]4C)C2)co1 |
CSCCCCC(=O)NC[C@@]1(CNC(=O)C(C)(C)CO)C[C@@H]2CCC[C@@H]2C1 |
CC(C)[C@](C)(O)C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(C)(=O)=O |
CO[C@H](CNC(=O)Cn1cccc1)CC(=O)NCc1cccc(CO)c1 |
C[C@H]1CN(C(=O)C(C)(C)C#N)C[C@@H]1C(=O)NCC[C@@H]1CCCC[C@H]1O |
CC[C@@H](CC(=O)NCC(CC)(CC)NC(=O)CCc1cc(OC)no1)C1CC1 |
COc1ccc(C(=O)C(=O)N[C@@H](C(=O)O)[C@@](C)(O)C(F)F)cc1OC |
Cc1ncc(C(=O)N2CC[C@H]3CN(C(=O)/C=C/c4ccsc4)C[C@@H]32)s1 |
CO[C@H](CO)C(=O)NC[C@H]1CC[C@H](C)N(C(=O)c2cc(C)ncc2C)C1 |
CCCC[C@](C)(F)C(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)[C@@H](O)[C@H](C)CC)C2 |
C#CC[C@@H](CC(F)F)C(=O)N(C)C[C@H]1[C@@H]2CN(C(=O)[C@@H](O)Cc3cnc[nH]3)C[C@H]12 |
Cc1cc(O)cc(=O)n1[C@H](C)C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[C@@H](C)O)CC[C@H]1C |
Cc1cc(=NC(=O)Cn2ccc(=NCc3ccc(Br)nc3)nc2O)cc(C)[nH]1 |
Cc1[nH]c(C)c(C(=O)N2CC(C(=O)NCCNC(=O)[C@H]3C[C@@H](N(C)C)C3)C2)c1C |
CCC(C)=C(C)C(=O)N1CC[C@H](N(C)C(=O)CCc2ncc[nH]2)C1 |
CCOC(Cn1cc(C(=O)NCCN(C)C(=O)[C@@H](C)OC)cn1)OCC |
COCC=CC(=O)NCC1(C)CCN(C(=O)[C@@H](F)c2cccc(C)c2)CC1 |
C=C[C@H](C)C(=O)NC[C@H](CC)NC(=O)[C@@H](C)N1CCCCC1=O |
C#CCCCCC(=O)N[C@H]1CN(C(=O)CCc2nc(CCC)no2)C[C@@H]2C[C@@H]21 |
CC(F)(F)CC(=O)NCC12CC(CN1C(=O)c1cc(Br)c3c(c1)OCO3)C2 |
CCCCC/C=C/C=C/C(=O)N1CCN(C(=O)CS(=O)(=O)CC)C[C@@H](O)C1 |
CO[C@@H](COCc1ccccc1)C(=O)N[C@@H]1CCC[C@@H](NC(=O)CC(C)(C)C)C1 |
Cc1ncoc1CN(C)C(=O)Cc1cccc(F)n1 |
Nc1c(C(=O)NC[C@@H]2CN(C(=O)CN3CCC(CO)CC3)C[C@H]2O)ccnc1Cl |
C[C@H]1C[C@@H]1C(=O)NCC(=O)N[C@H](C)Cn1cc(-c2ccc(C(=O)O)nc2)nn1 |
CC(F)(F)CC(=O)N1CCC[C@@H](n2cc(CNC(=O)[C@]3(C)CCOC3)nn2)C1 |
Cc1cc(C)cc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)c3sccc3F)C2)c1 |
CC(C)[C@H](O)CC(=O)N1CC2(C1)OCC2(F)F |
C#Cc1ccc(Br)c(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CN(C)CCO3)C2)c1 |
C=CCCCCC(=O)N1CCC2(CC1)CN(C(=O)C1CCC(O)CC1)C[C@H]2CO |
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