smiles
stringlengths 6
131
|
|---|
CCC[C@H](CCCO)C(=O)NC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(C)(C)C
|
Cc1cc(C(=O)N(C)C2CN(C(=O)[C@]3(c4ccccc4)C[C@@H]3Br)C2)nn1C
|
C#CC1(C(=O)N2CC[C@H](C3CC(NC(=O)c4cc(C)n(CC)n4)C3)C2)CC1
|
C#CCn1cnnc1C(=O)N(CCC)CC(=O)N[C@@H]1CC[C@H]1O
|
O=C(C1C[C@H]2CC[C@H](C1)C2)N1CCCC[C@@H]1CN=c1[nH]nc(-c2ccccc2)s1
|
CC(C)(CCCNC(=O)[C@H]1CCNC1=O)NC(=O)Cc1csc(C2CCCC2)n1
|
CC(=O)c1c[nH]c(C(=O)N[C@H]2C[C@H](C)CN(C(=O)[C@@H](C)SC(F)(F)F)C2)c1
|
O=C(N[C@@H]1CN(C(=O)c2ccns2)CC2(CCC2)C1)c1cn2cccc(Cl)c2n1
|
Cc1cc(N)cc(C(=O)N[C@H]2CCN(C(=O)c3nscc3Br)C2)c1
|
C/C=C/C[C@@H](NC(=O)c1cc(C)cc(F)c1)C(=O)N[C@H](C)CN=[N+]=[N-]
|
CC[C@@H](C)CC[C@@H](O)CC(=O)NCC1(NC(=O)COc2cc(C)on2)CCC1
|
C[C@@H]1CO[C@@H](CNC(=O)CCCCCN(C)C(=O)c2cnncc2O)C1
|
O=C(N[C@@H]1C[C@@H]2CC[C@@]1(NC(=O)[C@@H]1CC[C@H]3C[C@@H]1CO3)C2)c1cccc(Cl)c1O
|
C[C@@H]1C[C@H](NC(=O)c2cc(=O)cc[nH]2)CN(C(=O)c2coc(N(C)C)n2)C1
|
Cc1ccn2nc(C(=O)N3CC(C[C@@H](C)NC(=O)c4cnc(S)nc4)C3)nc2n1
|
C[C@@H](CC(C)(C)C)C(=O)NCCCOCCNC(=O)c1sncc1Br
|
CC(C)[C@@]12CC[C@H](NC(=O)C[C@H]3C[C@H](NC(=O)Cc4cc[nH]n4)C3)[C@@H]1C2
|
CCOC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(C(=O)c2ccc3c(c2)N(C)CC3)C1
|
CN1N=NC2=C1NCCC2C(=O)N1CCN(CC2CC2)CC1
|
O=C1NC[C@@H](C(=O)NC[C@@H](CO)CNC(=O)c2cc(-c3ccccc3F)no2)N1
|
CC[C@H](O)CC(=O)N[C@@H](CNC(=O)c1ccc(CC#N)cc1)C1CCCCC1
|
C[C@H]1[C@@H](NC(=O)CCCN(C)N=O)CCCN1C(=O)c1cc[n+]([O-])cc1
|
CC(=O)N[C@@H](C(=O)N[C@@H]1CN(C(=O)C(Br)=C(C)C)Cc2nccn2C1)C(C)(C)C
|
C=CCC[C@H](C(=O)N(CC)[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C1)c1ccccc1
|
CCOCCO[C@H]1CCN(c2cc(NCCOC3(C)CCC3)ncn2)C1
|
CN(Cc1cn([C@@H]2COC[C@H]2O)nn1)C(=O)c1cc[nH]c1C1CCC1
|
COCC(C)(COC)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC2(C)C)C1
|
C[C@H]1CN(C(=O)C2CCCCC2)C[C@@H]1NCc1c(C(=O)O)[nH]c2ccc(Cl)cc12
|
Cn1nnc(=NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@H](CO)C3(F)F)cc2)[nH]1
|
O=C1NC(=O)C2(CC(C(=O)N[C@H]3CCC[C@@H]3CNC(=O)c3ccc[n+]([O-])c3)C2)N1
|
CCOCC(=O)N[C@@H]1C[C@H](OC)C12CCN(C(=O)Cc1c[nH]c(=N)nc1O)CC2
|
CC(C)CCC(=O)N1CC[C@@H](C)[C@H](CNC(=O)Cc2cccc(OCC#N)c2)C1
|
Cc1c(C(=O)NC2CC(N(C)C(=O)C#C[C@]3(C)CCCO3)C2)nnn1C(C)C
|
CCn1cnc(C(=O)N2CC[C@H](NC(=O)c3c(O)nnc4c3CCC4)[C@@H](O)C2)c1
|
C[C@H]1CN(C(=O)/C=C/S(F)(F)(F)(F)F)C[C@H]1NC(=O)CCC1CCN(C)CC1
|
Cc1c(F)cccc1S(=O)(=O)N1CC[C@@H](NC(=O)CNC(=O)CC(C)C)[C@H](F)C1
|
C=C[C@H](C)ONC(=O)[C@@H]1C[C@@H](C)N1C(=O)c1cc(F)cc(F)c1
|
CC(C)(C)n1cnc(C(=O)N2CC[C@](F)(CNC(=O)C(=O)N=S(C)(C)=O)C2)c1
|
CCC[C@H](C)c1nc(-c2nn(C)c(=O)cc2C)n(C[C@@H]2CCCCO2)n1
|
Cc1nc(CO)sc1C(=O)N[C@](C)(CNC(=O)c1cc(C(F)F)cs1)C1CC1
|
CCNS(=O)(=O)c1ccc(/C=C/C(=O)NCC2(F)CN(C(=O)CC(C)C)C2)cc1
|
CC(=O)N[C@]1(C(=O)NC(C)(C)c2cn(Cc3nnc(C)o3)nn2)CC[C@H](C)CC1
|
CO[C@@H](C(=O)N[C@@H](C)CCNC(=O)Cc1cc(F)c(F)cc1F)C1CC1
|
CCCCCCCCC[C@H](C)CC(=O)Nc1ccc(Sc2nnc(C)s2)cc1C
|
CN(C[C@H](O)CNC(=O)C1(N(C)C)CCCCC1)C(=O)c1ccc(S(C)(=O)=O)[nH]1
|
O=C(Cc1noc2c1CCCC2)N1C[C@]23CCC[C@]2(COC3)C1
|
CNS(=O)(=O)[C@@H]1CCN([C@H](C(=O)NC[C@H]2CCCO2)[C@@H](C)CC2CCCCC2)C1
|
CCc1cscc1NC(=O)[C@@H](CNC(=O)c1ncccc1Cl)CC1CC1
|
C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]2c2nc[nH]n2)C1)c1cccc(Cl)c1
|
CC[C@@H](C)N(CCO)C(=O)C[C@H]1[C@H]2CCC[C@H]2N1C(=O)Cc1cn[nH]c1
|
C[C@@H](O)CN(CCNC(=O)[C@H](C)CC1CC1)C(=O)CNC(=O)C=Cc1ccco1
|
CC(=O)N[C@]1(C(=O)N2CCN(C(=O)Cc3ccc(N)cc3)CC2)CC[C@H](C)CC1
|
CCc1cnc(O)c(C(=O)NCC2(OC)CCN(C(=O)[C@@]3(C)CCCS3)CC2)c1
|
COCc1ccccc1CC(=O)N1CCCC[C@@H]1CN(C)C(=O)[C@@H]1CCC1(F)F
|
O=C(N[C@H]1C[C@H](O)CN(C(=O)c2cc(Cl)c(Br)cn2)C1)c1ccnnc1
|
C[C@H](F)CC(=O)N1CCCC[C@H]1CCNC(=O)c1ccnn1CC1CC1
|
O=C(NC[C@H]1CCCN(C(=O)Cc2cccc(OC(F)F)c2)C1)C1=CCCOC1
|
C[C@@H](CCCCNC(=O)[C@@H]1CNC(=O)N1C)NC(=O)c1cnc(C(F)F)s1
|
C#CCCNC(=O)c1cn(CCNC(=O)[C@@H](C)[C@@H]2CCOC2)nn1
|
C#CCC[C@@H]1CCCN1C(=O)C1(N(C(=O)[C@@H](OC)[C@@H](C)CC)C2CC2)CCC1
|
CSCCC(=O)N[C@@H](C)/C=C/C(=O)N1CC[C@H]1C(C)(C)O
|
CCO[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1CNC(=O)Cc1cnccc1Cl
|
C[C@H](CC(=O)NC[C@@H]1C[C@H]1CNC(=O)CCc1cnoc1)c1cccc(Br)c1
|
Cc1ccn(C)c1C(=O)N1CCC(C)(C)[C@@H](CNC(=O)C[C@@H]2CCC[C@H](C)O2)C1
|
CC[C@@H](C(=O)NC[C@@]1(C(=O)N(C)OCC(=O)OC)CCCO1)C(F)(F)F
|
CCc1nc(C(=O)N[C@H]2CN(C(=O)CCc3ccc(C)s3)CC2(C)C)co1
|
Cc1ccccc1CO[C@H](C)C(=O)N(C)C[C@H](O)CNC(=O)C(C)(C)CN(C)C
|
CN(C)CCCCC(=O)N1C[C@H]2COC[C@@]2(C(=O)N(C)C[C@H]2CC2(F)F)C1
|
COC(=O)c1cnc(C)c(NC(=O)N2CCC(NC(C)C)CC2)c1
|
Cn1c(C(=O)N2CC=C[C@@H]2CNC(=O)CNC=O)cc2cc(C(F)(F)F)ccc21
|
CN(C(=O)CNC(=O)C[C@@H]1N(C(=O)[C@@H]2CCCOC2)CCC1(C)C)C1CC1
|
CCc1ccc(-c2nnc(N3CC[C@H](COC)C3)n2CCCN2CCCC2)cc1
|
O=C(NC[C@@H]1CCS(=O)(=O)C1)C1CC2(CC(Nc3ncnc4c3CCC4)C2)C1
|
Cc1[nH]c2ncnc(N[C@H]3CN(C(=O)c4cccn5ccnc45)C[C@H]3C)c2c1C
|
CCn1nnc(C(=O)N[C@H]2C[C@H](OC)CN(C(=O)[C@@H](C)c3ccc(Cl)s3)C2)c1C
|
Cc1cnc(C)c(NC(=O)[C@@H]2C[C@H](O)CCN2C(=O)c2cc3cn[nH]c3cn2)c1
|
C#C[C@H]1CCN1C(=O)[C@H]1CCCN1C(=O)C1CC2(CC(=O)C2)C1
|
CNS(=O)(=O)CCCNC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1
|
C[C@@H](Cc1cccc(Cl)c1)C(=O)NC1(C)CN(C(=O)C#C[C@@H]2CCCO2)C1
|
CC(C)CN=C(NC[C@H](O)C(F)(F)F)N1CC[C@@H](COC(F)F)C1
|
CC(C)(C)N1CC[C@H]1C(=O)N1Cc2occ(C(=O)NC[C@H](CO)C(F)(F)F)c2C1
|
COc1c([C@@H](C(=O)NC2COC2)N2CCN(S(C)(=O)=O)[C@H](C)C2)ccnc1Cl
|
COCCN(CCNC(=O)c1ccnn1CC(F)F)C(=O)c1ccncc1
|
CN(C)c1cccc(CN2CCOC[C@H]2CC(=O)N2CC[C@@](C)(C#N)C2)c1
|
COc1ccc(Cl)cc1CN1CCC[C@@H](NC(=O)COCc2cccnc2)C1
|
Cc1cnn(CCC(=O)N2C[C@@H]3CN(C(=O)[C@@H](C)OC4CCCCC4)CC[C@@H]32)c1
|
CCC[C@H](NC(=O)c1cnn(C)c1Cl)c1cn(-c2cccc(F)c2F)nn1
|
CCc1ccc(N)c(C(=O)NCC23CC(NC(=O)C[C@@H](CC)C4CCC4)(C2)C3)c1
|
C=CC(C)(C)C(=O)NC[C@H]1CN(C(=O)C(C)(C)c2ccn(C)n2)C[C@H]1C
|
C#Cc1cnn(C)c1C(=O)N1C[C@H](C)O[C@@H](CCNC(=O)C(F)(F)CC2CC2)C1
|
CCOC(=O)C(C)(C)CC(=O)N1CCN(C(=O)C2=CCOCC2)[C@@H](C)[C@H]1C
|
CC[C@](C)(COC)C(=O)N[C@H]1COC[C@H]1C(=O)N[C@]1(CO)C[C@H]2CCC[C@@H]21
|
Cc1nn(CC(=O)N[C@@H]2COC[C@H]2CNC(=O)C2(C(C)C)CCC2)c(C)c1Cl
|
CC(C)CC(CC(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN(C)CCO)C2
|
Cc1cnc(CNC(=NCc2ccc(C[S@@](C)=O)cc2)NC2CC2)s1
|
O=C(CCn1cc(C[C@]2(O)CCSC2)nn1)NCCc1nsc2ccccc12
|
CC=C(CC)C(=O)NC1CC2(C1)C[C@@H]2NC(=O)c1cccc(Nc2nccs2)c1
|
CC1(C)OCCc2cc([C@@H](C(=O)NC3CC3)N3CC[C@]3(C)CCO)ccc21
|
Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CCN(C(=O)CC(=O)NC3CC3)C2)nc1
|
CC[C@H](CC(=O)NCC[C@H]1CCCN1C(=O)[C@H](C)S(N)(=O)=O)Cc1ccccc1
|
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