smiles stringlengths 6 131 |
|---|
CC(C)=C(F)C(=O)N1CCN(C(=O)[C@H](C)c2ccc([C@@H](O)C(C)C)cc2)CC1 |
CC1(C(=O)NCCc2ocnc2CNC(=O)c2cccc3c2OCC(=O)N3)CC1 |
CC(=O)NC[C@H]1C[C@H](NC(=O)C[C@@H]2CCCCN2c2ccncc2)C[C@H]1O |
CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCCN3C(=O)c3coc(Cl)n3)C2)nc1 |
CN1CCN(C(=O)[C@@H]2CCCCN2Cc2cn(C(C)(C)C(=O)O)nn2)C(C)(C)C1 |
Cc1ccnc(C(=O)N2CC=C[C@H](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)C2)n1 |
COc1cncc(C(=O)N2CCC(CC(=O)N3CC[C@H]4C[C@H]43)CC2)n1 |
N=c1[nH]cc(C(=O)N2C[C@@H](NC(=O)C3(CF)CCC3)C[C@@H](F)C2)o1 |
CC1(C(=O)N2CCCC[C@H]2CNC(=O)CCCc2cnccn2)CC(F)C1 |
C=CCC1(CC(=O)N2CC[C@@](C#N)(C3CC3)C2)CCCC1 |
CC(C)(CNC(=O)C[C@H]1CC2CC1C2)NC(=O)CCC(=O)c1ccccc1 |
COC1(C(=O)NC[C@]2(NC(=O)c3cc(C)sc3C)CCOC2)CCCCC1 |
CC[C@](C)(OC)C(=O)N1C[C@@H](N(C)C(=O)c2nccn2C)C(C)(C)C1 |
C[C@@H](C(=O)N[C@@]12CC[C@@H](CN(C(=O)c3occ4c3CCCC4)C1)C2)n1cnnn1 |
CCN(C[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)CNC2=O)C(=O)C1=CCCC1 |
CCc1nn(C)c(Cl)c1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(OC)s2)C12CC2 |
CS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCCN(C(=O)c3ccc(O)cn3)C2)o1 |
COc1cccc2c1OCC(C(=O)NC1(CNC(=O)[C@H]3CCCCS3)CCC1)=C2 |
Cn1cnnc1C(C)(C)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)C1(C)CSC1 |
N#Cc1ccc(C(=O)NC[C@@H]2C[C@H](CNC(=O)[C@H]3CC(F)(F)CS3)CO2)cc1F |
CCc1nc(Cl)c(F)c(N2C[C@@H]3C[C@H](NC(=O)CO[C@@H]4CCCC[C@H]4C)[C@H]3C2)n1 |
CC[C@@]1(CO)CCN(c2cc(NCC[C@H](C)CO)nc(C(F)(F)F)n2)C1 |
C[C@H](C(=O)N[C@H](CC1CCCC1)C(=O)NC1(CCCCO)CC1)c1ccn(C)c1 |
COc1cc(CO)ccc1C(=O)N[C@H]1CN(C(=O)c2scnc2C(F)F)C[C@H]1C |
CCN(CC(=O)NC)C(=O)[C@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@@H]1C1CC1 |
CO[C@@H](CNC(=O)CS(=O)(=O)C(C)C)CNC(=O)C1CN(C2CCCCC2)C1 |
COc1ccc(-c2cc(C(=O)NCC3(CNC(=O)C(=O)N(C)C)CC3)n[nH]2)cc1 |
CC(F)(F)C(C)(C)CC(=O)N1CCCC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)C1 |
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCCOCCN(C)C(=O)C[C@@](C)(O)C(F)(F)F |
CC(C)c1cc(C(=O)N[C@H]2C[C@@H](OCC(=O)N(CC3CCC3)[C@@H](C)CO)C2)n[nH]1 |
COCc1nocc1C(=O)N1CC(N(C)C(=O)c2ccc(N)c(N)n2)C1 |
CC[C@H](CC(=O)NCCCN(CC)C(=O)c1cccc2c1CCCN2)C(C)C |
C#Cc1ccc(C(=O)N2CC[C@@]2(C)C(=O)Nc2cc(C)c(OC)cc2Br)cc1 |
Cc1cc(C)n(CCC(=O)N(C)CCCCCNC(=O)[C@@]2(C#N)C[C@H]2C)n1 |
CC[C@@H](C(=O)N[C@H]1C[C@](F)(CNC(=O)c2cnc([C@H](C)OC)s2)C1)n1cncn1 |
CO[C@](C)(CC1CCC1)C(=O)N1CC(O)(CCNC(=O)C2(C)CS(=O)(=O)C2)C1 |
Cc1nc(C(=O)N2CCc3nn[nH]c3C2)c(-c2ccccc2)s1 |
COc1ccnc(N2C[C@@H]3COC[C@]3(C(=O)NC(C)(C)[C@@H](C)O)C2)n1 |
COC(=O)c1ccc2c(c1)N(C(=O)c1cc3n(n1)C[C@@H](F)C3)CCOC2 |
C#CCOCC(=O)N1CC2(CCN(C(=O)Cc3nocc3C)CC2)C[C@H]1C |
Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](O)[C@H](NC(=O)c2n[nH]cc2F)C1 |
Cc1cccc(O[C@H](C)C(=O)N[C@H]2CCCN(C(=O)C(=O)NCC3CC3)CC2)c1 |
COC(=O)c1ncccc1COC(=O)c1ccc2nc(Br)nn2c1 |
COC(=O)[C@@H](CCCF)NC(=O)[C@@H]1CCCCN1C |
Cc1cc(CCC(=O)N[C@@H]2CCN(C(=O)[C@H](C#N)C(C)C)[C@H]2C2CC2)n[nH]1 |
COc1ccc([C@H](C)C(=O)N2CCC[C@@H]2CNC(=O)[C@H](C)CC(C)C)cc1F |
COC(=O)NC1CN(C(=O)[C@H](C)CN(C)C(=O)c2c[nH]nc2C)C1 |
CCC[C@@H](CCCNC(=O)c1cccn1C1CC1)NC(=O)c1cc(C(F)F)cs1 |
CN1CCN(c2nnc(O)s2)C[C@H]1CNC(=O)c1cncc(-n2ccnn2)c1 |
O=C(N[C@@H]1C=CCN(C(=O)Cc2cnoc2)C1)c1ccc2occc2c1 |
COCC[C@@H](O)CNC(=O)[C@H]1[C@@H]2C[C@H]1CN2C(=O)C1=CCCC1 |
C[C@@H](C(=O)N1CC[C@]2(C)CN(C(=O)[C@H](CN(C)C)N(C)C)C[C@H]12)C(F)(F)F |
Cc1ccc(CC(=O)N2CCC[C@@H]2CCNC(=O)c2cc(C(N)=O)c[nH]2)c(Cl)n1 |
CCC(C)(C)CC(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccncc1 |
O=C(CC(F)(F)F)NC1CC([C@H]2CCN(C(=O)C3(C(F)F)CCOCC3)C2)C1 |
C=CCC(=O)N1C[C@H]2C[C@@H](C(=O)Nc3cnc4c(c3)CCC4)C[C@H]2C1 |
CCOC(=O)[C@H](CC)C(=O)NC1CC2(C1)CC(C(=O)N[C@@H]1CN(CC)C[C@@H]1C)C2 |
C#CC1(C(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)CN(C(=O)[C@H](C)[C@H](C)CC)C1 |
COCC(=O)N[C@H](C)[C@H]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 |
Cc1cnc(C(=O)N2[C@H]3CC[C@@H]2CN(C(=O)c2cc4cccn4cn2)C3)c(C)c1 |
O=C(CCc1cccs1)NCCCCCCC(=O)NC[C@@H]1CC1(F)F |
CCC(CC)[C@@H](C)C(=O)NCCOCCCNC(=O)c1cnc([C@H](C)OC)s1 |
C#CC[C@]1(C(=O)N[C@@H](C)CCNC(=O)c2cc(C)cc(Cl)n2)CCCCO1 |
CC(=O)NCC(=O)NCCCOCCCNC(=O)CN1CCCC1=O |
Cc1nc(C(=O)N(C)CC[C@@H](C)NC(=O)c2ccc(C(N)=O)[nH]2)c2n1CCCC2 |
O=C(C[C@H]1CN(Cc2csc(Br)c2)CCO1)Nc1c(Cl)cccc1CO |
CC(C)CC(=O)N1CC[C@@]2(C=C(C(=O)NCC[C@@H]3OCCC3(C)C)C2)C1 |
C[C@H](CN1C[C@@H](C(C)(C)C)CC[C@H]1CO)c1ccc(Br)cc1 |
Cc1cc(=O)c(C(=O)N2CCC[C@@H](N(C)c3nc4ncc(Cl)cc4s3)C2)cn1C |
CO[C@@H](C(=O)N(C)CCN(C)C(=O)c1cc(F)cc(Br)c1C)[C@H]1CCOC1 |
O=C(C1CCCCCCC1)N1CC[C@H]2CCN(C(=O)C(F)(F)C3CC3)C[C@H]21 |
COC(=O)C[C@H](C)CCNC(=O)N1Cc2ccccc2CO1 |
CCCN(CCNC(=O)c1cc(C)ncc1C)C(=O)c1c(C)oc2ccccc12 |
C=CCCO[C@@H](C)C(=O)NC1(C2CN(C(=O)c3cn(C)cc3C(F)(F)F)C2)CC1 |
CC[C@@H](C(=O)N[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)C(C)(CO)CO)c1ccccc1 |
CC(C)[C@H](F)C(=O)N1C[C@H](C)[C@@H](C(=O)N[C@H]2CCc3cccnc32)C1 |
Cc1ccnn1CC(=O)N1C[C@@H]2C[C@@H](C)N(C(=O)c3cncc(C(F)F)c3)[C@@H]2C1 |
Cc1oc(CNC(=O)OC(C)(C)C)nc1C(=O)Nc1cc(Br)ccc1NC(C)C |
O=C([C@@H]1CCCCN1CC(F)F)N1CC[C@H]2CC[C@@H](NC(=O)C3(CF)CC3)[C@H]1C2 |
CC(C)CC(=O)N1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1ncoc1-c1cccc(F)c1 |
C=C[C@@H]1C[C@H]1C(=O)NCC(C)(C)[C@H]1CCCN1C(=O)c1ccc(Cl)c(N)c1 |
CC(C)(CCCNC(=O)[C@@H]1CCc2nccn21)NC(=O)C1(C)COC1 |
Cc1cc(C(=O)N2CCCCC3(C2)CN(C(=O)c2cc(Cl)n(C)n2)C3)nc(C)n1 |
C=C=CCCC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)N[C@H]1CC[C@@H](OC)C1 |
C[C@@H](N=c1[nH]c(=N[C@H]2C[C@H](S(C)(=O)=O)C2)c2[nH]ccc2[nH]1)c1ccc(Br)c(F)c1 |
COCC[C@@H](CNC(=O)CCNC(=O)CC(C)C)NC(=O)C1CC(CF)C1 |
Cc1cc2c(c(C(=O)N3CC[C@@H](NC(=O)c4cnc(O)n4C)C[C@H]3C)c1)OCC2 |
CCCCNC(=O)[C@@H](c1ccc([N+](=O)[O-])s1)N1CC(=O)N2CCOC[C@@]2(CO)C1 |
O=C(CSC1CC1)NC[C@H](NC(=O)C[C@@]12CCC[C@H]1C2)C1CC1 |
CC1(C)CCN(C(=O)CCc2nncs2)[C@H](C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H](O)[C@H]3O)C1 |
CN1CCCCC[C@H]1C(=O)N1[C@H]2CC[C@@H](C(=O)N3CC4(CC(O)C4)C3)[C@H]1CC2 |
Cn1nc(-c2ccc(Br)s2)cc1NC(=O)c1ccn(-c2ccncc2)n1 |
CC(=CC(=O)N(C)[C@@H](C)CNC(=O)c1c(F)cccc1Cl)CCc1ccccc1 |
CCCN(CCNC(=O)c1cn(-c2ccccc2C)nn1)C(=O)Cc1cnns1 |
CC[S@](=O)CC(=O)N1Cc2nccn2C[C@H](NC(=O)c2ccc3cc[nH]c3n2)C1 |
CO[C@@H](CNC(=O)CC1(O)CCOCC1)CNC(=O)c1nccc(Cl)c1Cl |
Cc1ccc(C(=O)NC/C=C/CNC(=O)[C@H](O)C2CC2)c(F)c1Cl |
CC[C@@H](CNC(=O)c1ccc(OC)s1)NC(=O)[C@H]1CCc2c(nnn2C)C1 |
C[C@H](CCNC(=O)[C@H]1CCN(c2nc(=N)[nH][nH]2)C1)NC(=O)C1=C(Cl)CCC1 |
CC(C)[C@@](C)(CNC(=O)c1cccn(C2CC2)c1=O)NC(=O)[C@H](C)CC(C)(F)F |
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