smiles stringlengths 6 131 |
|---|
O=C(N1CCCN(C(=O)C2(N3CCCC3)CC2)CC1)C1(CF)CC1 |
CC1(C(=O)N2CC[C@H]3CN(C(=O)Cc4cnsc4)C[C@H]3C2)CCC1 |
COc1ccc2c(CN3C[C@@H](F)C[C@@H](C(=O)NC4CC(F)(F)C4)C3)c[nH]c2n1 |
COc1cnc(C(=O)N2CCC(C)(C)[C@H](C(=O)N3C[C@H]4COC(=O)[C@H]4C3)C2)cn1 |
CC(C)n1c(O)nc(N(C)C[C@@H](C)CNC(=O)[C@@H]2Cc3c(Cl)cccc32)cc1=O |
CC(C)N1CC[C@@H](N(C)C(=O)c2[nH]ccc2CNC(=O)[C@]2(C)CCCOC2)C1 |
CN(CCCCCNC(=O)[C@@H]1C[C@H]1Cl)C(=O)c1cn(-c2cccnc2)nn1 |
CC(C)[C@H](NC(=O)c1ccc2cccnn12)C(=O)NCC1CC2(CC2)C1 |
CC[C@H](O)C(F)(F)C(=O)NC[C@H]1CCCN1C(=O)c1cnc(SC)s1 |
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Nc1ncc(Cc2c(F)cccc2F)s1 |
CC[C@H](O)C(=O)N[C@H]1CN(C(=O)c2csc3nnsc23)CC12CCOCC2 |
C[C@@]1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)[C@H]2CCOC2)C[C@H]2CC[C@H]1C2 |
CCSc1ccccc1C(=O)N1CC(NC(=O)CNC(=O)NCC2CCCC2)C1 |
COC(=O)c1cc(F)c(NC(=O)[C@]2(C)CCN2C(=O)C2CCSCC2)cc1F |
Cc1cc(Cl)nc(C(=O)N2C[C@@H]3C[C@@H](NC(=O)c4cc(C(N)=O)cs4)[C@H]3C2)c1 |
Cn1cnc(C(=O)N[C@@H]2CN(C(=O)c3nncs3)CC[C@@H]2C(F)(F)F)n1 |
CCCN(CCNC(=O)CCCSC)C(=O)Cc1ccccc1CC(N)=O |
C[C@H](SCc1ccccc1)C(=O)N[C@@H]1CCN(C(=O)c2nnn(C)c2N)C1(C)C |
CC1(C)C[C@]1(C)C(=O)N1CC2(CCN(C(=O)CC3(C(F)(F)F)CC3)C2)C1 |
C#C[C@H](Cc1ccccc1)NC(=NCCF)NC[C@@H]1CC(=O)N(C)C1=O |
C=CCC(C)(C)CC(=O)N1CCC[C@]2(C[C@H](NC(=O)C=Cc3cn[nH]c3)CO2)C1 |
CNS(=O)(=O)CC(=O)N1CC([C@H](C)NC(=O)c2ccccc2N2CCOCC2)C1 |
C=C1CC([C@@](C)(NC[C@@H](OC)C(C)C)c2nnnn2Cc2ccccc2)C1 |
Cc1cnc(CCC(=O)N[C@H]2C[C@H](F)CN(C(=O)[C@@H](O)c3ccnn3C)C2)[nH]1 |
COc1cc([C@@H](F)CNC2CCC(N3CC(C(C)C)C3)CC2)ccc1Cl |
COc1c[nH]c(C(=O)N[C@H]2CC[C@@H](CNC(=O)c3ccc(CO)nc3)C2)cc1=O |
CCCCC(=O)N[C@@H]1CCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C |
NS(=O)(=O)N1CC(C(=O)N[C@@H]2CCC[C@H](NC(=O)CCCC3CCC3)C2)C1 |
CCc1oc(C)cc1C(=O)N(CC)[C@H]1CCCN(C(=O)[C@@]2(CO)CCCO2)CC1 |
Cc1sc(NC(=O)C(=O)N[C@@H]2C=C(c3ccc(F)cc3)C2)nc1[C@H]1CCCCO1 |
CN1CCN(C)CC(C(=O)N2CCC(=CCNC(=O)C3(F)CCOCC3)CC2)C1 |
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@]2(C)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 |
CCc1oc(C)cc1C(=O)NC[C@@H]1CC[C@@H]1NC(=O)Cc1cc(F)ccc1F |
CCCCSCC(=O)NCc1c(C)nn2c1CN(C(=O)C1(C(F)F)CCC1)CC2 |
CC(C)c1ccccc1CC(=O)NC[C@H](NC(=O)CCc1nccs1)C1CC1 |
CC(C)(C)OC(=O)NCC12CCC(C(=O)N3CCC[C@@]4(CCO4)CC3)(CC1)OC2 |
CCCC[C@H]1CN(C(=O)C[C@]23CCC[C@@H]2C3)CCN1C(=O)CNC(=O)CC |
C=CC=CCC(=O)NCCOCCNC(=O)C12CC(C[C@H](C)O1)C2 |
COC[C@H](C)C(=O)N(C)[C@@H](C)CN(C)C(=O)Cc1cccc(C(=O)OC)c1 |
COc1cccc(O)c1C(=O)NC[C@H]1C[C@H]1NC(=O)Cc1cnc(C2CC2)[nH]1 |
CC(C)SCCNC(=O)C1(CNC(=O)[C@@H]2CC[C@H](C)C2)CC2(CC2)C1 |
COc1cc(C(=O)N2C[C@H]3C[C@@H]2CN3Cc2cc(C)cc(F)c2)ccc1O |
CCc1nn(C)c(Cl)c1C(=O)N1CC(C[C@H](C)NC(=O)c2cc(C)nn2CC)C1 |
Cc1ccc(C)c(C(=O)NC[C@@H](O)CNC(=O)Cc2ccc3nc[nH]c3c2)c1N |
CN=C(NCc1c[nH]c2ccccc12)NC[C@H](C)Cc1ccc(OC)cc1 |
CC(F)(F)[C@H](F)C(=O)N1CC[C@](C)(C(=O)N2CC3(CCC(=O)NC3)C2)C1 |
CN(C)C1CN(C(=O)[C@@H](NC(=O)CCC[C@H]2CCCO2)c2ccco2)C1 |
CCOC[C@H](NC(=O)COCC(=O)OC)C(=O)NC[C@@H](CO)C1CC1 |
C[C@@H](CNC(=O)COCC1CC1)C1CCN(C(=O)c2ccn3cnnc3c2)CC1 |
O=C(OCc1cccc(Br)n1)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1 |
CC[C@@](C)(OC)C(=O)NCCOCCN(C)c1nnc(-c2cccnc2)s1 |
CO[C@H]1C[C@H](NC(=O)CN(C)CCO)CN(C(=O)c2ccc(N)cc2O)C1 |
C=C1CC(CC(=O)N(C)[C@](C)(C(=O)NOCCCF)C2CC2)C1 |
CCn1cc(CC(=O)N2CC[C@@](F)(CNC(=O)[C@@H](SC)C3CC3)C2)c(C)n1 |
C=C1C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ccccc1-c1ncc[nH]1 |
N#Cc1cc(S(=O)(=O)N2C[C@H]3C[C@@]3(CO)C2)ccc1NCC[C@H]1C[C@@H]1C(F)(F)F |
C=CCC(=O)N1CCN(C(=O)COC(CC)CC)C[C@H]1CCC |
COCC1(CC(=O)NCCNC(=O)[C@H]2C[C@@]23CCOc2ccccc23)CC1 |
CCOC(=O)COC1CCC(NC(=O)c2ccc(N=[N+]=[N-])cc2)CC1 |
FC(F)(F)[C@@H]1CCC[C@](Nc2ccc3ccoc3c2)(c2nnnn2CC2CC2)C1 |
CC(C)[C@H](O)C(=O)NC/C=C/CNC(=O)c1cc(C(C)(C)C)ccc1N |
C=C[C@H](O)C(=O)N1CCO[C@H]([C@@H](C)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C)C1 |
CC[C@H](CNC(=O)CCCCN(C)C)N(C)C(=O)[C@@H]1COC[C@@H](C)O1 |
CC=C(C=CC(=O)N1CC[C@H]2C[C@]2(NC(=O)C=CCOC)CC1)CC |
CC(C)(CNC(=O)[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]3C=C[C@@H]2CC3)C1)C(F)F |
CC(=Cc1cccnc1)C(=O)N[C@H]1C[C@H]1NC(=O)[C@H]1CCCN(C)C1 |
Cc1cc(C)c(O)c(C(=O)NCCC2CN(C(=O)CSS(C)(=O)=O)C2)c1 |
CN(CCC(=O)N[C@H](CO)CCCO)C(=O)c1cc(O)ccc1F |
CC(C)n1nnnc1[C@H](NCC1(CS(C)(=O)=O)CCC1)[C@H](C)CC1CCOCC1 |
C[C@@H]1C[C@@H](NC(=O)c2cncc(C(N)=O)c2)CN1C(=O)CCC(=O)C1CC1 |
CC[C@]1(C(=O)NC2CC3(C2)CN(C(=O)C(=O)NC(C)C)C3)CCCCO1 |
C[C@H](CC(=O)NC[C@@](C)(CO)NC(=O)c1ccc(CC(C)(C)C)cc1)C(F)(F)F |
CC[C@@H](O)C(F)(F)C(=O)NC[C@@]1(C)CCCN(C(=O)c2cc(C)cc(C)c2C)C1 |
CC(C)(C)Oc1cccc(C(=O)NCC2CC(NC(=O)[C@@]3(C)CCCCO3)C2)c1 |
CC(=O)c1cc(C(=O)N(CCCNC(=O)[C@H]2CCC(=O)N2C)C2CC2)cnc1C |
C=CCCc1cccc([C@H](C(=O)NCC(C)C)N2CCC[C@H](C(N)=O)C2)c1 |
CC(C)(C)Oc1ccccc1CNC(=O)c1cc2c(Br)cccc2o1 |
C=C(C)CC(=O)N1C[C@@H](NC(=O)Cc2nn(C)cc2Br)C2(CC2)C1 |
CCc1noc(C(=O)NC2(CNC(=O)C3=CC[C@@H](C)CC3)CC2)n1 |
CC(C)CS(=O)(=O)CC(=O)N[C@H](C)[C@H](C)NC(=O)c1ccncc1F |
COc1ccc2ncnc(NC34CCC(NC(=O)CC(C)(C)O)(CC3)C4)c2n1 |
Cc1cccc2cc(C(=O)N3CCC[C@@H](N(C)C(=O)c4ccc(O)cc4)C3)[nH]c12 |
CCN(C[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C(C)C)C(=O)c1cnc(S)nc1 |
CCc1nsc(N2CCC[C@@H]2[C@H]2CCCCN2C(=O)C2=CCCOCC2)n1 |
COc1nc(C)ccc1C(=O)N1C[C@@H]2[C@@H](C[C@H]2NC(=O)C(C)C)C1 |
CC(C)=C(F)C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2NC(=O)[C@@H]1CSC(c2ccccc2)=N1 |
C[C@@H](CCCNC(=O)c1cc(Br)ccc1N)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]21 |
CS[C@@H]1CN(C(=O)c2c(C)cc(C)nc2C)C[C@H]1NC(=O)Cc1cn(C)cn1 |
CN(CCCNC(=O)[C@H]1CCc2nccn21)C(=O)c1c(F)cc(Cl)cc1F |
CC(C)c1cc(CNC(=O)[C@H]2[C@H](C)CCN2C(=O)c2ccccc2Cl)no1 |
O=C(CCCF)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1c(=O)cnc2ccccc21 |
Cc1c(Cl)ccc(C(=O)NC2CC3(C2)CN(C(=O)C[C@H]2CC(C)(C)CO2)C3)c1O |
Cc1cc(C)c(CC(=O)N2CC3(C2)CN(C(=O)[C@H]2CC[C@@H]2C)C3)s1 |
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H]1CC(F)(F)C[C@@H]1NC(=O)Cc1cnc[nH]1 |
C[C@@H]1CN(C(=O)c2cnn(C)c2Br)CCN1C(=O)CCc1cncc(F)c1 |
COC(C)(C)CCCNC(=O)CCCNC(=O)COc1cnn(C)c1 |
CCC[C@H](NC(=O)c1ncoc1CC)[C@@H](O)C(=O)NC[C@@]12CC[C@@H](CO1)C2 |
CC(C)CCSCC(=O)N1CCc2ccccc2[C@H]1CNC(=O)[C@](C)(O)C(C)C |
COc1cc(C)nc(NNC(=O)NCc2cc(Br)cn2C)n1 |
Cc1ncc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3nnc4ccccc4n3)C2)cn1 |
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