smiles
stringlengths 6
131
|
|---|
C=CC[C@@H](C(=O)NC[C@@H]1C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])nc1)C(C)C
|
CC(C)(O)c1cc([C@@H](C(=O)NCCCF)N2CC(C)(C)[C@@H]2c2ccccc2)no1
|
CC1(C)CCN(C(=O)[C@H]2CC[C@@H]2C(C)(C)C)[C@@H](C(=O)N2CCC[C@H](C#N)C2)C1
|
C[C@H](NC(=O)c1ccc(F)cn1)C1CN(C(=O)[C@@H](O)c2cccc3c2OCC3)C1
|
CCCN(C(=O)c1cnn(C2CCC2)c1)[C@H]1CCN(CCn2cncn2)C1
|
CS[C@H](C)[C@H](C)NC(=O)[C@H](NC(=O)C1=NOCC1)[C@H]1CCCO1
|
CCC[C@@H]1CN(C(=O)c2c(C)n[nH]c2C)CCN1C(=O)[C@H]1CCc2n[nH]cc2C1
|
CSCC1(CC(=O)N(C)CCOCCCN(C)C(=O)[C@H](CO)C(F)(F)F)CC1
|
CC[C@H](C)CONC(=O)[C@H]1C[C@H](NC(=O)CCc2ccncn2)CCO1
|
CC(C)[C@@H]1CN(C(=O)[C@H]2C(C)(C)C2(F)F)CCN1C(=O)c1ccc2n[nH]cc2n1
|
CNC(=O)N[C@@H]1CCN(C(=O)c2[nH]ccc2CNC(=O)CC(C2CC2)C2CC2)C1
|
CCNC(=O)CCC(=O)NOCC(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C)C2
|
C[C@H](C1CC1)n1cc(NC(=O)c2cnc(-c3ccncc3)s2)cn1
|
CC(C)C(=O)N1CC[C@H](NC(=O)C[C@@H]2SC3=NCCN3C2=O)C12CCC2
|
NC(=O)Cn1cc(C(=O)N2CC(CCNC(=O)CCN3CCOC3=O)C2)nn1
|
Cc1cc(C(=O)NC2(CNC(=O)[C@H](F)CC(C)(C)C)CC2)c(O)nn1
|
O=C(NCC(F)F)C(=O)N1CCCC[C@@H](NC(=O)c2cocn2)CC1
|
CC=CC=CC(=O)N[C@@H]1CCN(C(=O)c2cc(C)n(C(C)C)c2C)C12CC2
|
CC(C)CCO[C@@H](C)C(=O)N1CCC[C@@H](CCN=c2nnn(C)[nH]2)C1
|
C=CC(C)(C)C(=O)NCCC[C@H]1CCCN1C(=O)c1ccnn(C)c1=O
|
Cc1c(C(=O)NCc2cc(C(=O)NC3C(C)(C)C(O)C3(C)C)no2)c[nH]c1C#N
|
O=C(N[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC3(CCC3)C2)C1)c1csc2cncn12
|
CCNC(=O)CCCC(=O)N1CC2(CO[C@@H](CNC(=O)[C@@H]3CCCN3CC)C2)C1
|
CCCSCC(=O)NC[C@@](C)(CC)NC(=O)c1cc(S(C)(=O)=O)cnc1O
|
CCCOc1ccc(Cl)cc1CC(=O)N1CCC[C@@H](NC(=O)CC#N)CC1
|
CC(C)Nc1ccc(C(=O)NCCCNC(=O)C#CC2CCCCC2)cc1
|
O=C(c1c[nH]c2c(F)cccc12)N1CC(N2CCN(C(=O)[C@H]3C[C@H](O)C3)CC2)C1
|
CC[C@@]1(C(=O)N2CCC3(CC2)CC3)CCCN1C(=O)c1ncncc1C
|
Cc1nccnc1CCNC(=O)C[C@H]1[C@@H]2CN(C(=O)C[C@@H]3CCCO3)C[C@H]12
|
COc1ccc(C(=O)N2CC(C[C@H](C)NC(=O)[C@H](O)CCC(C)C)C2)cn1
|
COCC[C@@H](C)C(=O)N1C[C@@]2(NC(=O)c3ncc(F)c4ccccc34)CC[C@H]1C2
|
C=C[C@H]1CN(C(=O)c2cnn(C3CC3)c2)C[C@H]1NC(=O)[C@@H](C)SC
|
Cc1cc(O)cc(C(=O)N2CC[C@H](NC(=O)C3CCN(C)CC3)[C@@H](O)C2)c1
|
CN(CCC1CCOCC1)C(=O)CC[C@H](O)C(C)(C)C
|
C#CCOCCONC(=O)[C@H](O)C1CN(C(=O)c2cn(C)ccc2=O)C1
|
CC[C@H](CCCC(=O)NCCC(=O)NC(C)(C)C)NC(=O)c1c(C)cccc1F
|
COC1(C(F)(F)C(=O)N2C[C@@H](F)C[C@H](NC(=O)CCCC(C)=O)C2)CCC1
|
CC#CCCCC(=O)NC[C@H]1CN(C(=O)[C@@]2(C#N)CCCC(=O)C2)C[C@H]1O
|
O=C(Cc1csc(C2CC2)n1)N1Cc2ccnn2C[C@@H](NC(=O)C2(O)CCC2)C1
|
COCc1csc(C(=O)N2CCCN(C(=O)c3c(O)noc3C)C[C@H]2C)c1
|
CCC[C@H](C)CC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1cnnn1CC
|
Nc1nc(C(=O)N2CCOC[C@H](CNC(=O)[C@@H]3C[C@H]3C3CCC3)C2)ccc1O
|
C[C@H](CCCNC(=O)c1[nH]nc2ncc(Br)cc12)NC(=O)[C@]1(F)C[C@H]1C
|
CCOC(=O)CCC(=O)N[C@H]1CCN(C(=O)c2ccn(C(C)C)c(=O)c2)C1
|
Cc1ccc(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2CNC(=O)CC2(O)CCC2)cc1
|
Cc1nc(N(C)C)sc1C(=O)N[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)C1
|
CC(C)n1cc(C(=O)N2CC3(CCC[C@H]3NC(=O)C/C=C/C(C)(C)C)C2)nn1
|
c1ccc2c(c1)CC[C@@H]2N=c1[nH]c(=NC[C@H]2CCOC2)[nH]c2cccnc12
|
O=C(C[C@]12CC[C@H]1CN(C(=O)C=CC(F)(F)F)C2)NCC1CC=CC1
|
CN(C(=O)CC1CCC1)[C@@H]1CN(C(=O)[C@H]2CCCc3cncn32)CC[C@@H]1O
|
Cc1c(N)c(C(=O)N2CCC[C@]2(C)CNC(=O)c2ccccc2O)nn1C
|
CCc1n[nH]cc1C(=O)N1CCC[C@@H]1/C=C/C(=O)NC[C@@H](O)CC(C)C
|
CC(C)(C)OC(=O)NCCc1ccccc1N[C@@H]1CCCc2c(O)cccc2C1
|
COCC(F)(F)C(=O)NCC[C@@H]1CCCN1C(=O)c1ccc(OC)c(OC)c1Cl
|
CCN(OC)C(=O)CNC(=O)[C@@H]1CCCN1NC(=O)Cc1cc[nH]n1
|
CC(C)(C)[C@H](CNC(=O)[C@@H]1C[C@@H](F)C(=O)N1)NC(=O)CCC(F)F
|
CC(C)(C(=O)N1CCOC[C@H](NC(=O)c2cc(C3CCC3)no2)C1)[C@@H]1CCOC1
|
COCc1cc(C(=O)N2CCC[C@H]2CN(C)C(=O)C2=COCCO2)on1
|
CCCC1(C(=O)N2CC[C@@H](C)[C@@H](N(C)C(=O)c3coc(S(=O)(=O)NC)c3)C2)CC1
|
O=C(c1cn2c(n1)COCC2)N1CCC2(CCN(Cc3ccccc3F)C2)CC1
|
Cc1nc(C(=O)N2C[C@@H]3C[C@H](C2)CN3C(=O)C[C@H]2C[C@@H]2C)cs1
|
O=C(CCn1cncn1)NC1(c2ccccc2)CCN(C(=O)C2=COCC2)CC1
|
Cc1ncc(C(=O)NC[C@](C)(F)CNC(=O)C2(Br)CC2)cc1N
|
C=CCC(=O)NC[C@]1(CNC(=O)C[C@@H]2CCC(C)(C)CO2)CC12CCC2
|
Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)N1CCO[C@H]2COC[C@H]2C1)CC3
|
CCn1cc(C(=O)N(C)[C@H](CNC(=O)c2c(F)ccc(F)c2N)C2CC2)nn1
|
CC(C(=O)NCC1(NC(=O)c2ccc(C)n2C)CC(F)(F)C1)=C1CCCC1
|
CCN(c1ccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3F)[C@@H]2C(C)C)cn1)C(C)C
|
C[C@@H](CC1CC1)C(=O)N1CCC2(C1)CN(C(=O)[C@@H]1CNC(=O)c3ccnn31)C2
|
COc1ccc(CO)cc1C(=O)NC1CCN(C(=O)CSCC(F)(F)F)CC1
|
CCn1cc(CCNC(=O)CC[C@]2(C)CCCN2C(=O)CSC(F)F)cn1
|
CC[C@H](CN(C)C(=O)[C@]12C[C@H]1COC2(C)C)NC(=O)Cn1cc(CO)nn1
|
CC(=O)N(C)[C@H](C)C(=O)NC1CN(C(=O)[C@@H](O)c2cccnc2)C1
|
CC(C)[C@@H](O)C(=O)N(C)C[C@H](C)NC(=O)[C@H]1C[C@@H](n2cnnc2)C1
|
C[C@@H](CC1CC1)C(=O)NCC12CC(NC(=O)[C@@H](C)OCC(F)(F)F)(C1)C2
|
CN(C)[C@@H](CNC(=O)CCCn1cc(CC2CCCCC2)nn1)c1ccco1
|
CCC1(C(=O)N2CCS[C@H]3CC[C@@H]32)CCN(C(=O)CN(C)C(=O)C(C)C)CC1
|
CCc1ccc(NC(=O)N2CC(NC(=O)c3nc4ncccn4n3)C2)cc1
|
Cn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H](O)CC(F)F)CC(C)(C)C2)c(=O)n(C)c1=O
|
CCCN(CCC)CCCC(=O)N[C@@H]1CCN(c2cc(O)nc(O)n2)C1
|
CN(CCC1CCN(C(=O)Cc2cccc(F)c2F)CC1)C(=O)C[C@@H]1CCCO1
|
CC(C)[C@@H](C)C(=O)NC[C@]1(F)C[C@@H](NC(=O)CCc2ccc(Br)c(F)c2)C1
|
Cc1oc(C)c(C(=O)NC/C=C/C(=O)N2C[C@@H](C)CCC[C@H]2C)c1C
|
CC1=NO[C@@H](CCNC(=O)CN(C(=O)Cn2cccn2)C(C)C)C1
|
O=C1CC[C@@H](C(=O)N2CCC[C@H]2CNC(=O)C2(CC(F)F)CC2)N1
|
C1CCC([C@@H]2CNC(=NC[C@@H]3CN4CCC[C@@H]4CO3)N2)CC1
|
CNC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1[C@H](C(=O)NC[C@H]1CCOC1)C(C)C
|
CCOC(=O)NCCCC(=O)N[C@@](C)(CC)CNC(=O)c1sc(C)cc1C
|
CCSCc1ccccc1C(=O)N[C@H]1CC[C@@H]1NC(=O)c1c(C)cccc1F
|
C=CCC[C@@H](NC(=O)C1CC(N(C)C(=O)c2[nH]nnc2CC)C1)C1CC1
|
C[C@@H]1CN(C(=O)Cc2cncn2C)CCN1C(=O)[C@@H]1CN2CCN1CC2
|
CCC(C)=C(C)C(=O)N1CCCN(C(=O)c2cc(OC)ccc2O)C[C@@H]1C(C)C
|
CC1(C)CCN(C(=O)C2CCC(F)CC2)C[C@H]1C(=O)NC[C@](C)(O)CO
|
Nc1nc(C(=O)N2CCN(C(=O)[C@@H]3[C@@H]4CCC(F)(F)[C@@H]43)C[C@H]2CCO)ccc1O
|
CCCN(C)CCC(=O)N(C)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCC)C2)CC[C@@H]1O
|
CC(=O)NCCN(C)C(=NCCc1cc(O)cc(F)c1)N[C@@H]1CCS(=O)(=O)C1
|
C=CC[C@H](C)C(=O)N1C[C@H]2C[C@H](NC(=O)CSc3ccccc3F)C[C@H]1C2
|
COCc1nc(Cl)cc(NNC(=O)c2cc(Cl)c(C(F)F)cc2F)n1
|
Cc1cc(OCC(=O)NC[C@]2(C)CCN(C(=O)CC(C)(F)F)C2)ccc1C(C)C
|
CC(C)(C)[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](F)C2)CCN1C(=O)Cc1cccs1
|
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