smiles
stringlengths 6
131
|
|---|
CCSc1cncc(C(=O)N[C@H]2C=CCN(C(=O)Cn3nccc3C)C2)n1
|
COCc1ccc(C(=O)NCC(C)(C)NC(=O)c2cnn3ccccc23)cc1F
|
CCCc1ccc(C(=O)N2CCOC[C@@H](NC(=O)c3cnc4ccsc4c3)C2)s1
|
CO[C@H](C(=O)N1CCN(C(=O)C(C)(C)c2cncnc2)C[C@H]1CCO)C(C)(C)C
|
O=C(C[C@@H]1CSc2ccccc2O1)N1CC(c2ccnc(-c3ncccn3)n2)C1
|
CSCCNC(=O)[C@H](CCc1c(Cl)cccc1Cl)N1CC[C@@H](C)[C@@H](C)C1
|
Cc1c(C(=O)NC[C@@H]2CCN(C(=O)CCP(C)(C)=O)CC2(F)F)ccn1CCO
|
C[C@@H](Nc1ncc(S(=O)(=O)NC2CC(C#N)C2)cc1Cl)c1csnn1
|
O=C(NC[C@@H]1CCN(C(=O)[C@H]2C=CCCC2)C12CC2)c1ncc(Cl)cc1F
|
O=C(N[C@@]12C[C@@H]1CN(C(=O)c1csc(-c3ccoc3)n1)C2)[C@@H]1CCC[C@H]1C1CC1
|
COCCO[C@H](C)C(=O)N(C)CC[C@@H](NC(=O)CC1=CCCCC1)C(C)C
|
CC(C)C[C@@H](CNC(=O)c1c(F)ccc(C#N)c1F)NC(=O)c1cccnc1S
|
C=CC1(CC(=O)N2CCN(C(=O)c3cnn(C(C)C)n3)[C@H](CO)C2)CC1
|
CC[C@@H](CO)C(=O)N1C[C@]2(C)CN(C(=O)[C@H]3CCn4cc(C)nc4C3)C[C@]2(C)C1
|
CCN(C[C@H]1CCCN1C(=O)C[C@]1(C)CCCO1)C(=O)C#CC1CCOCC1
|
CCN(CC1CCN(C(=O)C(C)(C)[C@H]2CCCO2)CC1)C(=O)c1coc(CO)c1
|
CCc1nccnc1C(=O)NC[C@@H]1CC[C@@H]2CN(C(=O)[C@H](O)CC(C)(C)C)C[C@@H]21
|
C=CCCCc1cn([C@H]2CC[C@@H](N(C)C(=O)CSc3c(C)n[nH]c3C)CC2)nn1
|
CCSC[C@H](CO)NC(=O)CC(C)(C)CNC(=O)C(C)=C1CCCC1
|
CC(C)N1CCO[C@H](C(=O)N[C@H](C)C2CCN(C(=O)CCSCC(N)=O)CC2)C1
|
CN1CCC[C@@H](C(=O)NCC(C)(C)NC(=O)c2cc(Cc3ccccc3)c[nH]2)C1
|
CCc1noc(C)c1CNC(=O)C[C@H]1CN(C(=O)c2cc(Cl)n(C)n2)CC12CC2
|
COC[C@@H](NC(=O)c1cnc(C(C)C)s1)c1ccccn1
|
Cn1cccc(C(=O)NCc2n[nH]cc2C(=O)N2CCOC[C@H]2CCO)c1=O
|
CC(=O)Nc1cncc(-c2ccc(CNCc3cc(F)c(O)cc3F)nc2)c1
|
N#Cc1cc(NC(=O)[C@@H](CC(F)F)c2ccc(F)cc2)ccc1Cl
|
Cc1ccc(C(=O)NC[C@@H]2CCC(C)(C)O2)c(-n2cc([C@H](C)N(C)C)nn2)c1
|
NC(=O)CSCC(=O)N[C@H](CC(=O)NCC1CCCCCC1)C1CC1
|
COCCNC(=O)C(=O)N1CCCN(C(=O)c2cccc(CSC)c2)C[C@H]1CO
|
CC(C)C1(CNC(=NCCN2CCOCC2)N[C@H]2C[C@H](OC(C)(C)C)C2)CC1
|
CCCN(CCNC(=O)[C@H]1C[C@]2(C)C[C@@H]1CO2)C(=O)CCn1ccnn1
|
CO[C@H]1C[C@@H](O)CN(C(=O)CN2CCN(C(=O)c3cc(O)nc(C)n3)CC2)C1
|
C[C@@H](CN(C)C(=O)[C@H]1CC(=O)CCO1)C(=O)NC12CC(C1)C2
|
C[C@@]1(CC(=O)N2CC[C@@H](CC(F)F)C2)CCN1C(=O)c1cc[n+]([O-])cc1
|
CCC[C@@]1(NC(=O)c2cnc(CC3CC3)s2)CCCN(C(=O)CCSC)C1
|
COC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1n[nH]c(C)n1
|
CC(C)[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cncc(Cl)c1Cl)n1cccc1
|
CN(C(=O)c1nc(C(F)(F)F)cs1)[C@H]1CCN(C(=O)[C@]2(Cl)CC23CCC3)C1
|
C[C@]1(F)CC[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CCC(CO)(CC3)CC4)[C@H]3C[C@@H]23)CC1
|
C[C@@H](NC(=O)c1nn(C)c(Cl)c1Cl)[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1N
|
C=C1CC(C(=O)N[C@@H](C(=O)N2C[C@@H](O)C[C@H]2CO)c2ccccc2)C1
|
Cc1cccc(C(=O)NCC(=O)NC[C@H]2CN(C(=O)c3cc(C)on3)CCO2)c1
|
O=C(NCc1ccc(SCCO)cc1)c1nccn2c(Br)cnc12
|
CSc1nc(C(=O)NCC(=O)N2CCN(C(=O)[C@H]3C[C@H]3F)CC2)cs1
|
COC[C@@H](O)CCNC(=O)[C@@H](NC(=O)[C@H](C)N=[N+]=[N-])C1CCCCC1
|
CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1CCCN(C(=O)C2(OC)CCCC2)CC1
|
C[C@H](CCNC(=O)c1ccc(Cl)c(F)c1)N(C)C(=O)[C@@H](C)C(F)(F)C(F)F
|
COC1(C(=O)N[C@H]2CC[C@H](NC(=O)[C@@H](CO)C(F)(F)F)C2)CCC(C)CC1
|
Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CC[C@H](CCNC(=O)C=C2CC2)C1
|
C=C=C[C@H](C)C(=O)N1C[C@H](N=[N+]=[N-])C[C@@H]1C(=O)NC[C@H]1COC[C@H](C)O1
|
C=CC[C@@H](C)C(=O)N1C[C@H](CNc2ncnc3c2cnn3CC)C(C)(C)C1
|
Cc1[nH]nc2c1C[C@@H](NC(=O)c1cccc(-n3cc(-c4cccs4)nn3)c1)CC2
|
CCCC(=CC(=O)N(C)CCC(=O)Nc1cc(C)ccc1O)CCC
|
CCCCN1CCCC[C@H]1C(=O)N1C[C@@H](CNC(=O)Cn2nccn2)C(C)(C)C1
|
C#C[C@@]1(C(=O)N[C@H]2C=CCCC2)CCN(C(=O)Cc2ccccc2O)C1
|
CC(C)C[C@H](C)CC(=O)N1C[C@@]2(C(=O)N[C@@]3(C)CCCC(C)(C)C3)C[C@H]1CO2
|
CC[C@@H](C(=O)N1CCC[C@@]12CCCN(C(=O)C=C(Cl)Cl)C2)n1ccc(C2CC2)n1
|
CO[C@H](CC(=O)N1CCC(c2cccc(Cl)c2Cl)CC1)C(F)(F)F
|
CCOC(=O)c1c(N2[C@H]3CC[C@@H]2C[C@H](CNC(=O)[C@@H](F)CC)C3)cc(C)nc1O
|
O=C(CSC1CC1)NC1CCN(C(=O)c2cc(=O)c3ccc(O)cc3o2)CC1
|
C=C(C)CNC(=O)[C@H](c1cc(C(F)F)nc(C)n1)N1Cc2cccnc2C1
|
CCC[C@H]1CN(C(=O)CCCC(F)(F)F)CCN1C(=O)c1cc(C)c(C)cc1Cl
|
CCCS(=O)(=O)[C@H](C)C(=O)N[C@@H]1C[C@H]1CNC(=O)CCc1ccc(C)cc1C
|
CCCN1CCC[C@H](C(=O)NC[C@@]23CCC[C@@H](CN(C(=O)CC4CC4)C2)C3)C1
|
CN1CC=C(CC(=O)N[C@H]2C[C@H](CCNC(=O)c3cn(CC4CC4)nn3)C2)CC1
|
O=C1CC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccn(CC(F)(F)F)c(=O)c3)C[C@@H]2O)N1
|
COc1c(C(=O)N2C[C@H](NC(=O)c3cnc(N)c(N)c3)CC2(C)C)csc1C
|
COC[C@H](C)C(=O)N1CCC[C@@H]1[C@H](C)NC(=O)CCC(C)(C)C
|
CCN1CCCC[C@@H]1CNC(=O)[C@H]1CN(C(=O)[C@]2(C)CC2(C)C)CCN1C
|
Cc1ccccc1CN(C)C(=O)CCN(C)C(=O)c1ncccc1N
|
C[C@@H](F)CC(=O)NC1CCC2(CC1)CC(NC(=O)CSCC(F)F)C2
|
CCC(CC)(OC)C(=O)NCC12CCC(CC1)N(C(=O)C=Cc1ccco1)C2
|
C#CC[C@](C)(CO)CNC(=O)[C@@H](CCOCCO)NC(=O)c1csnc1OC
|
COC(=O)N1CC(CNC(=O)[C@H]2C=CCN2C(=O)c2ccc3cccnn23)C1
|
C[C@]1(NC(=O)C2CC3(CC(O)C3)C2)C[C@H](NC(=O)c2ccc(F)c(N)c2)C1
|
COC(=O)C[C@@H](C)CC(=O)N1CCN(C(=O)CN2CCCCC2=O)C[C@@H](CO)C1
|
CCOC(=O)[C@@](C)(F)C(=O)N(C)C[C@H]1CN(C)CCO1
|
C#CCC1(NC(=O)[C@H]2COCC[C@H]2NC(=O)COC2(C)CCCC2)CCCCC1
|
Cc1nc2n(c1C)CCN(C(=O)C(=O)N[C@H](C)c1cccc(Br)n1)C2
|
CCn1nnnc1[C@H](Nc1cnc(Cl)cc1CO)c1oc(C(F)(F)F)cc1Br
|
CCOCCCCC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)CCN1CCOC1=O)C2
|
CC1=CC[C@H](Nc2ncnc(NCc3cnn(C(C)(C)C)c3)c2C)CC1
|
CC12C3C4C1C1C2C3C41C(=O)NCCCCC1CN(C(=O)[C@@]2(O)CCSC2)C1
|
C[C@H](NC(=O)NC(C)(C)Cc1ccc(C(F)(F)F)cc1)c1noc(C(C)(C)C)n1
|
COC(=O)CCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC1
|
CC1=CC[C@H](C(=O)N2C[C@H]3CCC[C@@](CNC(=O)Cc4cn(C)nn4)(C3)C2)CC1
|
CO[C@@H]1CN(C(=O)C2CC(F)C2)C[C@H]1NC(=O)CC(C)(C)c1cccs1
|
CC(C)(C)NC(=O)[C@H](c1csc(S(N)(=O)=O)c1)N1CC[C@H]2[C@@H](C1)C2(F)F
|
CCC1(C(=O)N(C)CCN(C)CCO)CN(C(=O)C2=C(C)CCOC2)C1
|
C[C@@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNC(=O)[C@@]1(C)CCC(F)(F)C1
|
C#CC[C@H](O)C(=O)N[C@@H]1CC[C@@H]1NC(=O)c1cc(F)c(F)cc1NC(N)=O
|
Cc1cc(F)sc1C(=O)NC[C@H]1CC(C(=O)N(C)[C@H]2CCCNC2=O)=NO1
|
CN1CCN(C(=O)[C@H]2[C@@H]3C[C@@H]2N(S(=O)(=O)c2csc4ccccc24)C3)CCC1=O
|
CC(C)CC1(C(=O)NCC2(CC(=O)N(C)C[C@@](C)(O)C3CC3)CC2)CCC1
|
CC[C@H](C)[C@H](NC(=O)COCC1CC1)C(=O)N[C@]1(C)CCC(C)(C)C1
|
O=C(NC12CC(C(=O)N3CCC(CF)CC3)(C1)C2)[C@H]1CC2(CCC2)CO1
|
COCC(C)(C)C(=O)N[C@H](CNC(=O)c1cnc(O)s1)CC(C)C
|
C=Cn1nncc1C(=O)N[C@H](CC)CCCC(=O)N1CC[C@@](O)(CC(C)C)C1
|
COC[C@@H](NC(=O)C12CC(NC(=O)CCc3ccsc3)(C1)C2)c1ccccc1
|
CC1CC(CCC(=O)N2CC[C@H](NC(=O)C3=C(O)C([N+](=O)[O-])=CC(Cl)=C3)[C@@H]2C)C1
|
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