smiles stringlengths 6 131 |
|---|
CC(C)N(CCCNC(=O)c1cc(Br)n(C)n1)C(=O)Cc1cn[nH]c1 |
CC[C@@H](CNC(=O)C[C@H]1CCC[C@@H](NC(=O)C(=O)c2cccn2C)C1)C(C)(F)F |
C=C(C)[C@@H](CC(=O)N[C@]1(C)CCN(Cc2nnc(C3CC3)o2)C1)OCC |
CCOC1(CC(=O)N2CCC[C@](C)(C(=O)N[C@H](CCO)C(F)(F)F)C2)CC1 |
C[C@@H]1CCC[C@@H]1C(=O)NC(C)(C)[C@H]1CCCO1 |
CC(C)CN1CCC(C(=O)NC2(CNC(=O)C(F)=CC3CC3)CCCCC2)CC1 |
C=CC[C@H](NC(C)=O)C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c2c(C#N)cccc12 |
C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCOC[C@H]1NC(=O)c1cccnc1Oc1cccnc1 |
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NC(=O)Cc3coc(C)n3)[C@H]2C)CCN1C |
CCCN(CCNC(=O)C(C)(C)C(F)(F)F)C(=O)c1ccc2cc(F)ccc2n1 |
CCCCCONC(=O)[C@]12CO[C@H](C1)[C@H](NC(=O)c1sccc1F)C2 |
CC(C)NC(=O)C(=O)NCCN(C(=O)c1cc(Br)n2c1CCC2)C(C)C |
CCN(C(=O)CCC=C(C)C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CCOCC2)C1 |
CN(C)CCN(C(=O)CC1(CNC(=O)Cn2ncccc2=O)CC1)C1CCC1 |
CCCCCC(=O)NC1(CNC(=O)C[C@H]2C(=O)OC(C)(C)CN2CC)CC1 |
COc1cncc(CNC(=O)[C@@H]2[C@H](C)CCN2C(=O)[C@H]2CC3(CC3)CO2)c1 |
CC(=Cn1ccnn1)C(=O)N[C@@H]1CN(C(=O)c2nnn(C)c2C(F)F)CC1(C)C |
Cc1cnc(Cl)c(CN2CCN(C(=O)c3cc(C(F)(F)F)nn3C)[C@H]3C[C@H]32)c1 |
CCC1=C(C(=O)N2C[C@H](NC(=O)CCc3ccc(C)o3)CC[C@H]2C)CCCO1 |
C[C@H](OC(=O)c1ccc(N)cc1C(F)F)C(=O)Nc1cccc(C#N)c1 |
C#Cc1ccc(NC(=O)C[C@H]2C[C@H]2CNC(=O)CC)cn1 |
O=C(NCC1(C2CCC2)CC1)[C@H]1[C@H](C2CC2)CCN1C(=O)C12C(=O)C3C[C@H]1[C@H]2C3 |
CS[C@H]1C[C@H](CC(=O)NC[C@]23CCC[C@H]2N(C(=O)[C@@H]2CCS(=O)(=O)N2)CC3)C1 |
CCOCCC(=O)N1C[C@@H]2C[C@H](C1)CN(C(=O)c1cc(CO)on1)C2 |
C=CC(F)(F)C(=O)N1CCN(C(=O)[C@@H]2CCOC3(CCCC3)C2)[C@@H](C)C1 |
CN1CC[C@H](C(=O)NC[C@H]2C[C@@]3(CCN(c4nc(C#N)ncc4Cl)C3)CO2)C1=O |
N=c1[nH]c(=NCC=CCl)[nH]c(=NC[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)[nH]1 |
C[C@@H]1CC(=O)NC[C@H]1C(=O)N1CC2CC1(CNC(=O)CC[C@@H]1CCC(=O)N1)C2 |
CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc(C3(C(F)(F)F)CC3)n2)s1 |
CCOC(=O)NCCN=c1cc(C)[nH]c(=NCC(F)(F)c2ccc(C)cc2C)[nH]1 |
C[C@@H](CCN1C(=O)CN(CCN2CCN(C)C(=O)C2)C1=O)c1ccccc1 |
COC[C@H](CC(=O)OC)NC(=O)N1CCc2c(F)ccc(F)c21 |
O=C(NCC1(c2cccs2)CC1)NC[C@]1(CO)CC[C@H]1CO |
O=C([C@H]1CCc2nccn2CC1)N1CCCN(C(=O)C2(CC3CC3)CCC2)CC1 |
CC[C@H](C)c1nc(C)cc(=NC2CC(O)(CNC(=O)CC(F)(F)C(F)F)C2)[nH]1 |
C[C@@H](Oc1ccccn1)C(=O)Nc1cn(C)c(C(=O)N2CCCC(F)(F)CC2)n1 |
CN(CCCN(C)C(=O)[C@H]1C[C@H]2C=C[C@@H]1CC2)C(=O)c1cccc2c1CCO2 |
CC(=O)NC1(C(=O)N[C@H]2C[C@@H](CCC(=O)N[C@@H]3COc4ccccc43)C2)CCC1 |
Cc1nccc(CCC(=O)N2C[C@H](O)C[C@H]2CNC(=O)c2cocc2C)n1 |
CN(C)CC(=O)N1CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 |
CCc1nnc(C)cc1C(=O)N1CCN(C(=O)C=C(C)C(C)(C)C)C2(CC2)C1 |
CCCCC(=O)N1C[C@@H](CNC(=O)c2cnnn2C)C2(CCC2)C1 |
CCCN=C(NCCC(C)(C)OC)NC[C@@H](O)c1cccc(Cl)c1 |
C=C(Br)CC(=O)N1CCN(C(=O)[C@@H]2CCCc3cncn32)C[C@@H](O)C1 |
C[C@@]1(CC(=O)N2CC[C@H](OCCNC(=O)c3c[nH]c4cnccc34)C2)CCOC1 |
C=C[C@@H](CC)CC(=O)NCCCCCN(C)C(=O)[C@H](C)Oc1cc(C)ccc1Cl |
C#CC1(C(=O)NC[C@]2(O)CCSC2)CCN(C(=O)[C@H]2CC[C@@H](O)CN2C)CC1 |
C[C@H](CNC(=O)c1ccnn1[C@H]1CC1(F)F)NC(=O)CCCc1ccc(O)cc1 |
CCCOc1ccc(C(=O)NCC2(NC(=O)C=NOC)CCCC2)cc1OCC |
C=C(C)CC(=O)N1CCCN(C(=O)Cc2csc(Cl)n2)[C@@H](C)C1 |
CN(C(=O)CSCCc1ccccc1)[C@@H]1CC[C@H](NC(=O)COC(C)(C)C)C1 |
CC(C)C(=O)N(C)CC(=O)N(C)CCOCCN(C)C(=O)CC1=NN(C)C(=O)C1 |
Cc1cc2n[nH]cc2cc1C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F |
Cc1c(C=CC(=O)NC[C@H](C)CNC(=O)c2cc(Br)ccn2)cnn1C |
O=C(Nc1cccc(Cn2ccnc2)c1)[C@@H](F)c1nc2ccccc2s1 |
CN(CCCNC(=O)c1cccc2c1CCC2)C(=O)[C@H](O)c1ccsc1 |
CCC1(CC)C[C@H](NC(=O)Cc2n[nH]c(C)n2)CN1C(=O)C[C@@H]1CCC(=O)N1 |
C[C@H]1CC(C(=O)NC[C@H]2[C@H]3CCC[C@H]2N(C(=O)c2occc2Br)C3)=NO1 |
COCCN(C(=O)C(=O)Nc1ccc(I)cn1)[C@@H](C)COC |
Cc1c(CC(=O)N[C@H]2C[C@@H](NC(=O)C=C[S@](C)=O)C2)c(O)nc2c1c(O)nn2C |
CCC(CC)(CNC(=O)[C@H]1CCN(C(=O)CCN=[N+]=[N-])C(C)(C)C1)OC |
C=CCn1nnnc1[C@H](NCC1(CO)CCOCC1)C(C)(C)CC |
O=C(Cc1ccsc1)NCC1(F)CCN(C(=O)[C@]23CC[C@@H]2C3)CC1 |
Cc1ncsc1COCC(=O)NCC1(O)CN(C(=O)[C@@]23CCCC[C@H]2C3(F)F)C1 |
CCOC(=O)N[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCSC)C(C)C |
CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C1CC(C)(O)C1 |
Cc1cc(CC(=O)N2CC(C(=O)Nc3cnnc(O)c3Cl)C2)no1 |
CC(C)n1cc(CC(=O)N(CCCNC(=O)[C@@H]2CCC2(F)F)C2CC2)cn1 |
C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C(=O)c1ccccc1O |
CCS(=O)(=O)CC(=O)NC[C@@](C)(O)CNC(=O)c1cc2c(F)cccc2[nH]1 |
COC[C@]1(C(=O)NCCC(C)(C)NC(=O)c2ccc(F)cc2Cl)C=CCC1 |
COc1cccc(N[C@H](CNC(=O)[C@H]2CCC[C@H]2O)C2CCC2)c1[N+](=O)[O-] |
C[C@@H]1[C@@H](C=CC(=O)N[C@H]2C[C@@H](NC(=O)c3cccc(Cl)c3N)C2)C1(Cl)Cl |
CCc1ncc(C(=O)NC[C@H]2C[C@@H]2NC(=O)C2(CC)CC(F)(F)C2)s1 |
Cn1cc(C(C)(C)NC(=O)c2cc(CCNC(=O)CC3CCC3)on2)nn1 |
C#CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2C[C@H]2C2CC2)c1 |
CCc1occ(C)c1C(=O)N[C@H]1CC[C@H](CNC(=O)Cc2cc(Cl)n(C)n2)CC1 |
CN(C)CC(=O)N1CC[C@@H](C(=O)NCCN2CCC(C)(C)C2)C(C)(C)C1 |
CC(C)(C)OC(=O)N1CCC[C@H]2C[C@]2(C(=O)Nc2ccc(C(=O)O)nc2)CC1 |
Cc1cc(C(=O)N2C[C@@H](NC(=O)C(=O)NC3CC3)C[C@H]2C)c2ccc(F)cc2n1 |
O=C(CC[C@H]1CCCN1C(=O)c1ccc(I)c(Br)c1)N=c1ccn(C(F)(F)F)[nH]1 |
CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H](C(=O)N2CC(COC)C2)C(F)(F)C1 |
CCO[C@@H]1[C@@H](C)[C@H]1C(=O)N[C@H]1CC[C@H](CNC(=O)c2c(C)nsc2N)CC1 |
CS(=O)(=O)Cc1cn(C[C@@H]2CCCN2C(=O)c2ccc(C3CC3)o2)nn1 |
CCCN(C(=O)[C@@H]1CCC(=O)N1CC)C1CCN(C(=O)C2(OC(C)=O)CC2)CC1 |
CCOC(=O)CCNC(=O)[C@H](c1nc(Br)sc1C)N1CCC(F)(F)CC1 |
C[C@@H](CCNC(=O)[C@H]1CN2CCN1C[C@H]2C)N(C)C(=O)c1ccc(F)c(CO)c1 |
CC1(C)C(C(=O)NC[C@H](CC2CC2)C(=O)N2CCCC[C@@H]2CF)C1(C)C |
C=CC/C=C/CCC(=O)N1CC[C@](CC=C)(C(=O)N2CC([C@@H]3CC3(F)F)C2)C1 |
COc1ccc(Br)c(CNC[C@]23C[C@H]2CN(c2ncnc(C)c2Br)C3)c1 |
CN1C[C@@H](O)CC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]([C@@H]1F)N2C(=O)Cc1cnnn1C |
C[C@@]1(C(=O)NCCCCCCCCCCCCO)CCCN1Cc1ccsc1Br |
CCc1cc(C(=O)N2CCCCC[C@@H]2CNC(=O)CC2(n3cccn3)CC2)on1 |
CCS[C@H](C)C(=O)N(C)[C@H](C)CNC(=O)c1nn[nH]c1Cl |
O=C(Cc1sccc1-c1ccccc1)N[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 |
CCc1ccsc1[C@@H](C(=O)NCCCF)N1CC(=O)N[C@H](c2cn[nH]c2)C1 |
O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCCC[C@H]1CNC(=O)C1(CF)CC1 |
CCn1nnc2cc(C(=O)N[C@@H](C)[C@H](C)NC(=O)/C=C/CCC=C(C)C)ccc21 |
Cc1ccn(CC(=O)N2CCC[C@H]2CN(C)C(=O)C2CCC(C)(C)CC2)n1 |
Cc1ccc(-c2ncccn2)c(C(=O)N[C@@H]2C[C@@H]2C(=O)NCCN(C)C)c1 |
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