smiles stringlengths 6 131 |
|---|
Cc1cc(C(=O)N[C@H](C)C(C)(C)C(=O)NCc2nocc2C(C)C)sn1 |
C[C@H]1CC[C@H](C(=O)N2CC(F)(F)C2)N(C(=O)c2cc3ccccn3n2)C1 |
CN1C[C@H]2CN(C(=O)[C@H]3CN(C(=O)CCCc4cnn[nH]4)CCO3)CC[C@H]2C1 |
CN=c1nc(N2C[C@H]3CSC[C@@H](C3)C2)[nH]c(=NCCOc2ccc(Cl)cc2)[nH]1 |
Cc1ccc(O)cc1C(=O)NC1CN(C(=O)c2nnn(C)n2)C1 |
COC(C)(C)CCCCC(=O)N1C[C@H]2C[C@@H]1[C@H]2NC(=O)/C=C/CCC(C)C |
Cc1nc2ccc(C(=O)N3C[C@@H]4CN(C(=O)[C@@H]5CCCC56CC6)CC[C@@H]43)cc2o1 |
CC(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)NC(=O)C12CCC(C)(CC1)OC2 |
CO[C@]1(C(=O)NCc2nc(O)cc(CNC(=O)[C@]3(C)CCC(=O)C3)n2)CCSC1 |
CN(CCCCCCNC(=O)C[C@H]1COC(=O)C1)C(=O)[C@@H](F)C(F)(F)C(F)(F)F |
CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 |
CC(C)[C@H](C)C(=O)NC[C@H]1N(C(=O)c2cccc(F)c2O)CCC1(C)C |
CO[C@H](C(=O)N[C@H](C)C(C)(C)NC(=O)c1cnn2cccc(C)c12)C1CC1 |
Cc1ccn(CC(=O)NCC2(C(=O)N[C@@H](C)c3ccncn3)CCC2)n1 |
CCN1CCOC[C@H]1C(=O)N1[C@H](C(=O)N(C)CCCN(C)C)C[C@@H]2C[C@@H]21 |
C[C@H](C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(O)c(F)c3)C[C@@H]2C1)N1C[C@H]2C[C@@H]2C1 |
N#Cc1ccc(CC(=O)N2CCC[C@H]2CNC(=O)[C@H]2CCn3nncc3C2)cc1 |
COc1ccccc1N(C)C(=O)C1=NO[C@@H](CNC(=O)[C@@H]2C[C@H](O)[C@@H](F)C2)C1 |
CSc1ccnc(-c2nc(-c3cncs3)n(Cc3cnc4ccccc4c3)n2)c1 |
CC(=O)[C@@H]1C[C@]1(Cl)C(=O)N[C@H](CCC(=O)N1CCN(C)[C@H](CO)C1)C(C)C |
Cc1cc(C(=O)N2CCCN(C(=O)[C@@H](C)c3cccs3)CC2)sc1C |
Cc1ccncc1C(=O)N[C@@H]1CCC[C@@H](C(=O)N2CC[C@@H]3C[C@@]32C)C1 |
C[C@@H](OCCN(C)C)C(=O)NCCSCC(=O)NCCOC1CCCC1 |
C=C(CCNC(=O)[C@@H](F)CC(C)C)CNC(=O)C=Cc1ccc([N+](=O)[O-])cc1 |
CS[C@@H](C(=O)N1CC=C[C@@]1(C)C(=O)NCc1ncc(C)cn1)C(C)C |
O=S(=O)(c1cccnc1N[C@@H]1CC[C@@H]1O)N1CCc2cc(F)c(Br)cc2C1 |
Cc1cccc(C(=O)N2C[C@H]3C[C@@H](C2)[C@@H](NC(=O)C(C)(C)N2CCCC2)C3)n1 |
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Br)nc(Br)c2)cc1 |
Cc1ccc(Br)c(C(=O)N[C@H]2CC[C@@H](NC(=O)[C@]3(C)CCCN3C)CC2)n1 |
Cc1cc(C(=O)N[C@H]2C[C@](F)(CNC(=O)C=C3CCC3)C2)sc1C |
COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)N=c1cc(C)n([C@@H](C)C2CC2)[nH]1 |
CCCN(CCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1)C(=O)c1ncoc1-c1ccon1 |
CCN(CC(=O)NC[C@H](C)OCCO)C(=O)c1cc[nH]n1 |
C=C[C@@H](O)C(=O)N1CCC[C@@H](C2(NC(=O)c3ccccc3C#CC3CC3)CC2)C1 |
C=CC1(C(=O)NCC2(OC)CCN(C(=O)[C@H]3CC4(CC4)CO3)CC2)CCCCC1 |
CC[C@H]1CN(C(=O)c2cc(Br)ncc2Br)CCN1c1ncnc2n[nH]c(Br)c12 |
O=C(NCC1CN(C(=O)[C@H]2OCCn3ccnc32)C1)c1conc1C1CCCC1 |
COCCCn1cc([C@H]2CCN(C(=O)c3sc(C)cc3OC)C23CC3)nn1 |
O=C(C[C@H]1C[C@H]2C=C[C@@H]1CC2)Nc1cccnc1OCC1CC1 |
Cc1c(F)ccc(C(=O)N2CC[C@@H](CO)[C@H](NC(=O)C3=CCOCC3)C2)c1Cl |
CSc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]([C@@H]2F)N3C(=O)[C@H]2CCC(C)(C)O2)c1 |
O=C(NC[C@H]1CO[C@H](CN=c2cc(F)nc[nH]2)C1)c1cc2c([nH]1)CCC2 |
CCCOCC(=O)N1CCN(C(=O)C2(CO)CCCC2)C[C@@H]1CC(F)(F)F |
C[C@@H](N[C@@H](CCC1CCCC1)c1nnnn1C)c1cncs1 |
CN1CC(=O)N(CC(=O)N[C@]2(C)CCN(c3ncc4ccnc-4[nH]3)C2)C1=O |
C[C@H]1C[C@@H]1C(=O)N[C@H]1CN(C(=O)[C@@H]2[C@H]3CC[C@@H](C3)C2(C)C)CC2(CCC2)C1 |
COc1cnc(NC(=O)C[C@H]2CN(C(=O)c3ccc(Br)cc3F)CCO2)cn1 |
C[C@H](NC(=O)C1CCC1)C(=O)N[C@@]12C[C@@H]1CN(C(=O)C(=O)NCCC(N)=O)C2 |
C[C@H](NC(=O)[C@@H]1Cc2cccnc2C1)C1(O)CN(C(=O)Cc2cccc(N)c2)C1 |
CC[C@H]1CN(C(=O)[C@H](C)OC(C)(C)C)C[C@@H]1C(=O)NCCCCN=[N+]=[N-] |
C[C@H](F)CC(=O)N1[C@H]2CC[C@H]1CC(C(=O)NC1(C(F)(F)F)CCC1)C2 |
O=C(N[C@@H]1CCC12CN(C(=O)c1cnc(S)[nH]1)C2)C1=CCCCCC1 |
CCCCCC(=O)NCCN1CCCN(C(=O)[C@@H]2CCOC(C)(C)C2)CC1 |
CN1CCN(C(=O)C(=O)N2CCN(CC(C)(C)C)CC2)C[C@@H]1c1cccs1 |
CCn1nc(C)c(C(=O)N2CCCC[C@H]2CNC(=O)[C@@H]2[C@H]3CCC[C@H]32)c1C(F)F |
COC[C@@](C)(O)CC(=O)N[C@H]1CCO[C@H]1C(=O)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1 |
C=CC[C@H](CC)C(=O)NCCN(C(=O)[C@@H]1CCN(C)S1(=O)=O)C1CCCCCC1 |
CS[C@@H](C)CCC(=O)NCC1(C(=O)N(C)C[C@@H]2CCN(C)C2)CC=CC1 |
N#Cc1c(=NC(=O)NCCCCn2cnnc2)[nH]n2cc(Br)cnc12 |
Cc1ccc(C(=O)N2CCC[C@](O)(CN(C)C(=O)[C@@]3(F)CC=CCC3)C2)n1C |
CC1(C)C[C@@H]1C(=O)NC1(CC(=O)N2CC[C@@H](OC3CCC3)C2)CCC1 |
CCOC(=O)[C@]1(C)CC(=O)N(C(=O)[C@@H](C)Oc2cccc(Cl)c2)C1 |
CCn1cnc2c(N(C)Cc3ccoc3C)[nH]c(=NCCN3C[C@H]4C[C@H]4C3)nc21 |
COc1nc(C(=O)N2C[C@@H](CNC(=O)[C@@H]3CC34CC4)CC(C)(C)C2)co1 |
C=CCCOCC(=O)N1C[C@H]2C[C@H](NC(=O)C[C@]3(C)CCCO3)C[C@H]1C2 |
CCc1nc[nH]c1C(=O)N[C@H](CNC(=O)c1c(C)nc(O)nc1C)[C@H](C)C(C)C |
CN(C)CC1(C(=O)N(C)[C@H]2CCCN(C(=O)[C@@H]3C(C)(C)C3(F)F)CC2)CC1 |
Cc1cc(C(=O)N(CCC(=O)N2C[C@@H]3C[C@H]2CO3)C2CC2)co1 |
CCOC=CC(=O)N[C@@H]1CN(C(=O)[C@@H](C)[C@@H]2CCCO2)CC12CCOCC2 |
O=C(C1CC(OC2CC2)C1)N1C[C@H]2CC[C@H]1CN2C(=O)[C@@H](CO)c1ccccc1 |
C[C@H](CCCNC(=O)c1ccc(C2CC2)o1)NC(=O)c1ncnc(O)c1F |
O=C(N[C@@H]1CN(C(=O)c2ccc3c[nH]nc3n2)C[C@H]1O)[C@@H]1C[C@H]1c1cccnc1 |
CC[C@H](C)C(=O)N1CCC2(CC1)C[C@@H]2NC(=O)C[C@@H]1CCCCC12CC2 |
CN(CCC[C@H](O)CO)C(=O)[C@@H]1COCC[C@H]1NC(=O)[C@@H]1CCC2(CC2)C1 |
Cc1cnc(CCC(=O)N2CC[C@@H](CN(C)C(=O)c3nnn(C)c3C(F)F)C2)[nH]1 |
C[C@@H]1[C@@H](NC(=O)C(F)=Cc2c[nH]cn2)CCCN1C(=O)CCSc1ccccn1 |
Cc1cc(F)c(N)c(C(=O)N(C)C[C@@H](C)N(C)C(=O)C[C@@H]2OCCC2(C)C)c1 |
COc1cc(F)cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(C(N)=O)ccc3F)C2)c1 |
O=C(N[C@H]1CCCN(C(=O)[C@]2(F)CC=CCC2)CC1)c1ncoc1-c1ccon1 |
CC=C(C)C(=O)N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)C[C@H]1CSCCS1)C2 |
Cc1cc(C(=O)N2CCC[C@@H](C3CN(C(=O)C4(CO)CCC4)C3)C2)cc(F)c1C |
CC(C)c1nnsc1C(=O)NC[C@H]1CCCN1C(=O)[C@H]1CNc2ccnn2C1 |
COC(=O)C1CCC(CNC(=O)C2(C)CN(Cc3cc(OC)ccn3)C2)CC1 |
CCCN1CCCC[C@H]1C(=O)N1CC(CN(C)C(=O)C23CCC(C)(CC2)OC3)C1 |
CC(C)[C@H](C(=O)NCCCN(C(=O)[C@@]1(C)CCOC1)C1CC1)N1CCN(C)CC1 |
Cc1cc(Cl)cc(C(=O)NC[C@@H](CO)CNC(=O)c2ccc(C)cc2C)c1 |
Cc1cc(C)c(C(=O)N(C)[C@@H](C(=O)NC[C@H]2C[C@@H]2c2ccco2)C2CC2)o1 |
CCCN(C(=O)c1ccc(C)nc1N)C1CCN(C(=O)[C@H]2C[C@H](O)[C@@H](F)C2)CC1 |
CC1=CC[C@@H](C(=O)N2C[C@H]3C[C@@H](C2)[C@H](NC(=O)c2ccncc2)C3)CC1 |
COc1cncc(CN(C)C(=O)c2cccc(OC(F)F)c2)c1 |
C[C@@H](C(=O)NC[C@@](C)(CO)NC(=O)C1=CSCS1)N1CCNC1=O |
O=C(Cc1cncn1C1CC1)N[C@H](c1ccnc(Cl)c1)C1CC1 |
CC(=O)[C@@H](C)C[C@@H](C)C(=O)N[C@@H]1CCCCC[C@H]1NC(=O)CCOC1CCCC1 |
COc1ccc(F)cc1C(=O)N1C[C@H](C#N)[C@H](NC(=O)c2sc(Cl)nc2Cl)C1 |
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cncs2)CC1 |
COc1cnccc1CN(C)CC1CN(C(=O)C[C@H]2NC(=O)NC2=O)C1 |
COc1ccc([C@H](OC)C(=O)NCCCN(C)C(=O)c2ccco2)cc1 |
C[C@H]1C[S@@](=O)CCN1C(=O)C[C@H]1C=C[C@@H](NC(=O)CC(C)(C)C#N)C1 |
C[C@@H]1CO[C@@H](C(=O)NCCC2(C(=O)N3CC[C@@](F)(C(N)=O)C3)CC2)C1 |
CC[C@H]1CN(C(=O)C#CC2CCOCC2)C[C@@H]1C(=O)N(C)OCC(F)(F)F |
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