smiles stringlengths 6 131 |
|---|
Cc1ncc(-n2nc([C@H]3CC=CCC3)nc2CN2CCC[C@H](N(C)C)C2)s1 |
CC(C)(CNC(=O)Cc1cccs1)OCCNC(=O)[C@@H]1Cc2ccc(F)cc2C1 |
CCN(CC(C)(C)CNC(=O)c1cc[nH]c1)C(=O)Cc1ccc(C)c([N+](=O)[O-])c1 |
CN(C)S(=O)(=O)N1CCC[C@@H]1CNC(=O)c1cc2cccnc2nc1O |
CCCCOCC(=O)N[C@@H]1CCN(C(=O)Cc2nc(C3CC3)cs2)CC1(C)C |
CS(C)(=O)=NCC(=O)NCCOCCNC(=O)c1cccc(-n2ccnc2)c1 |
CO[C@@H](C(=O)N1CC(NC(=O)Cc2[nH]cnc2C)C1)[C@H]1CCCOC1 |
COC(=O)[C@H](C)CNC(=O)[C@@H](CCC1CC1)NC(=O)C[C@]1(C)CCOC1 |
COc1cc(C(=O)N2CC(O)(CCNC(=O)CC#N)C2)ccc1C(F)(F)F |
Cc1nc[nH]c1C(=O)N1C[C@H]2C[C@@H](NC(=O)c3cc(=O)c(C)c[nH]3)[C@H]1C2 |
CSc1cc(C(=O)NC2(CNC(=O)c3n[nH]c(C)c3C)CC2)oc1C |
CCc1cccnc1C(=O)NCc1ccc(C(=O)N2CC(CO)C2)o1 |
C=C(CCNC(=O)C1(O)CCC(C)(C)CC1)CNC(=O)[C@@]1(C)CC=CCC1 |
COc1cccc(F)c1C(=O)NC[C@H]1CCCN1C(=O)CCN1C(=O)CCC1=O |
C=Cc1cncc(C(=O)N[C@@H]2C[C@H]2NC(=O)c2cnc(N)c(Cl)c2)c1 |
O=C(C=CC1CC1)N1CC[C@@H]2C[C@@]21C(=O)N1CCO[C@H](CC2CC2)C1 |
Cc1c(C(=O)N2[C@H]3CCC[C@H]2CN(C(=O)[C@@]2(C)CNC(=O)C2)C3)ccc(F)c1F |
CCc1nocc1C(=O)N1CC[C@H]2[C@@H]1C[C@H]2NC(=O)c1cccc2[nH]nc(O)c12 |
COCCOCC=CC(=O)Nc1cc(N2CCOC2=O)ccc1C |
CCN(CC1CCN(C(=O)[C@@H]2CC23CC3)CC1)C(=O)C[C@H](C)N1CCCC1=O |
CN(Cc1ccnn1C)C(=O)C[C@@H]1CN(C(=O)C2CC(C3CC3)C2)C(C)(C)C1 |
Cn1ncc(Cl)c1C(=O)N1CC[C@@]2(NC(=O)C#CC3CCC3)C[C@H]2C1 |
COc1ncc(NC(=O)[C@@H](CO)NC(=O)c2cccc(C#N)c2)cn1 |
CCCC[C@@H](CC)CCNCC(=O)NS(C)(=O)=O |
C=CCN(C)CC1CCN([C@H](C(=O)NC2CC2)c2ccc3c(C)[nH]nc3c2)CC1 |
CC(C)c1nn(C)cc1C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)C[C@@H]3CC3(Cl)Cl)C[C@H]2C1 |
Cc1nnsc1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(C3(O)COC3)cc2)C1 |
C[C@H]1C[C@@H](NC(=O)c2nnc(C(F)(F)F)s2)CCN1C(=O)c1cccc(F)c1F |
COCC[C@@H](NC(=O)[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1C=CCCC1)C(C)C |
CC#CC[C@H](CO)NC(=O)[C@@H]1CCCCN(C(=O)CC(C)(C)COC)C1 |
C=C1C[C@H]1C(=O)N1CCC[C@H](C2CN(C(=O)c3ccncc3CC)C2)C1 |
CC(C)N(C)CCCC(=O)N[C@H]1CCCC[C@H]1C(=O)N1CCC(C(C)(C)C)CC1 |
COCCN(CCNC(=O)CC[C@@H](C)OC)C(=O)c1cc(C#N)ccc1N |
C=C(CCNC(=O)CCc1nccn1C)CNC(=O)C[C@H]1C(=O)NN=C1C |
Cc1ccc(=O)n(CC(=O)NC[C@H]2CCCCN2C(=O)[C@@H](C)c2ncco2)c1 |
C#CCO[C@@H](C)C(=O)NCCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCO1 |
Cc1noc(C)c1CC(=O)NC1CN(C(=O)c2n[nH]cc2F)C1 |
CC[C@H](C)CC(=O)NCCSCC(=O)N1CC2(CCCC2)C1 |
CN=c1[nH]nc(CC(=O)NC23CC(CNC(=O)[C@](C)(CO)NC(C)=O)(C2)C3)s1 |
CCn1nnnc1NC(=O)[C@@H]1COCCN1Cc1cnc2ccc(Br)cn12 |
C[C@@H]1CCN(C(=O)C(=O)NCC(=O)N2CCN(C(=O)[C@@H](F)C(C)(C)O)CC2)C1 |
COCC[C@@](C)(O)CNC(=O)C(C)(C)CNC(=O)C[C@@H](O)CC(C)(C)C |
CCn1nc(C2CC2)cc1CNCc1cccc(NC(=O)c2cccnc2)c1 |
Cn1cccc1CC(=O)N[C@H]1C[C@](F)(CNC(=O)C[C@H](C(F)F)n2ccnc2)C1 |
C=CCO[C@@H](C)CNC(=O)C[C@H]1CC(C)(C)CN1C(=O)c1cnn(CCF)c1 |
CC(=O)c1ncc(C(=O)N2CC[C@]3(NC(=O)[C@@H](C)N(C)C)CCC[C@H]23)s1 |
CCCCSCC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3CCO[C@@H]3CC)[C@@H]2C1 |
COC(=O)c1ccc(N(C)C)c(OC(=O)c2nn(C)cc2Br)c1 |
Cc1cc(CC(=O)N[C@H]2CCC[C@]2(C)NC(=O)c2nc(C)c(C)s2)ccc1O |
O=C(CC1=NNC(=O)C1)NCCOC1CCN(C(=O)CCOCC(F)F)CC1 |
COc1ccc(F)c([C@@H](N=c2ccn(C3CCC3)[nH]2)c2nnnn2C2CCC2)n1 |
Cc1cc(CC(=O)N2CCC[C@@H](NC(=O)C3(CO)CC(F)(F)C3)C2)on1 |
CCCN(C(=O)[C@@H]1CCCC(=O)N1C)[C@H](C)C(=O)N(C)[C@H](C)[C@H](C)SC |
Cn1cc(C(=O)NC[C@@H]2CCCC[C@@H]2NC(=O)C2CC3(C2)CC3(F)F)ncc1=O |
Cc1cc(C)c(C(=O)NCCOCCCN(C)C(=O)/C=C/[C@@H]2CCCN2C)cn1 |
C=C[C@H](CC)C(=O)N1CCN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1CCOC |
CC[C@]1(C(=O)N(C)C[C@H]2CCCN2C(=O)c2ccno2)CCNC1=O |
CC(=O)NC1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)C[C@H]2C)CC1 |
CCn1cc(CN=c2nc3c(cnn3C(C)C)c(NCC[C@H](C)[S@](C)=O)[nH]2)cn1 |
CC(C)(NC(=O)C[C@@H]1C=CCCC1)[C@H]1CCN(C(=O)CCC(=O)C2CC2)C1 |
Cc1cc(CCC(=O)N[C@H]2C[C@@]2(C)c2ccc(Br)cc2)on1 |
Cc1cc(CCC(=O)N[C@H]2CCCN(C(=O)[C@@H](C)OCCN(C)C)[C@@H]2C)no1 |
CC(C)[C@H](CNC(=O)[C@H](C)CN(C)C)NC(=O)CC(C)(C)C#N |
CCCN(CC(=O)NCC1CCN(C)CC1)C(=O)CC1(O)CCC1 |
CC(C)OCC(=O)N1CCC[C@]2(CCN(C(=O)CSCc3cccc(Cl)c3)C2)C1 |
C[C@H](CCC(=O)N[C@@H]1CC2(CCC2)[C@H]1O)NC(=O)c1ccnnc1 |
O=C(O)Cc1ccccc1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 |
Cc1nc(Cl)ccc1C(=O)N1CC2(CC[C@@H](CNC(=O)C(=O)NCC3CC3)O2)C1 |
C#C[C@H]1CCN(C(=O)C[C@@H](CC)NC(=O)[C@@H]2CC(CC)=NO2)C1 |
CO[C@@H]1C[C@H](C(=O)NCc2cnn(CCF)c2)N(C(=O)[C@@H](C)C(F)(F)F)C1 |
Cn1c(C#N)ccc1C(=O)NCCCC(=O)N[C@@H]1C[C@H]2CCCCN2C1 |
C[C@H](CC1CCC1)C(=O)NCCCOCCOCCNC(=O)CC(F)(F)C(F)F |
O=C1CCC[C@@]2(C(=O)N3C[C@@H]4CCC[C@H](C3)N4C(=O)C3(O)CCC3)CCCN12 |
C=CC[C@H](CC(F)F)C(=O)N1CC([C@@H](C)NC(=O)CNc2ccc(C#N)cc2)C1 |
C=C1CC(N(C)C(=O)c2n[nH]c3c2CN(C(=O)[C@H]2CCS[C@@H](C)C2)C3)C1 |
CCC[C@@](C)(O)C(=O)NCC(C)(C)C1CCN(C(=O)C2(CF)CC(F)(F)C2)CC1 |
O=C(CCCNC(=O)Nc1cc(F)cnc1Cl)Nc1ccc(Cl)cc1 |
C[C@H](C(=O)N(C)CCOC1CC1)N(C)C(=O)c1cc(Cl)no1 |
C[C@H]1CC[C@H](NC(=O)c2ccoc2)CN1CC1CCC(C(C)(C)C)CC1 |
CCCC#CC(C)(C)NC(=O)[C@H]1CN(C(=O)Cc2cn(C)cn2)C[C@@H]1C1CC1 |
Cc1cc(F)cnc1C(=O)NCCN(C(=O)[C@H](NS(N)(=O)=O)C(C)C)C1CC1 |
CCn1ncc2cc(C(=O)NCCCCNC(=O)Cc3ccsc3C)c(C)nc21 |
C[C@H](COC(=O)c1cc2c(C3CC3)cccc2[nH]1)CN(C)C |
CC[C@@H](CCCO)Nc1nccc(=NCCN2CCS(=O)(=O)CC2)[nH]1 |
CCN=C(NC[C@H](CO)Cc1ccc(F)cc1)N1CC[C@@H](COC)C1 |
C=C(Cl)C[C@@H](NC(=O)C1CN(C2CCC2)C1)C(=O)NC[C@@]1(CO)CCCO1 |
O=C(Cc1ccnc(O)c1)NC1(c2nn[nH]n2)CCC(F)(F)CC1 |
C=CCC1(O)CN(C(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CCOC)OC)C1 |
COC[C@H](CNC(=O)[C@@H](NC(=O)C[C@@H]1CC(C)=NO1)C1(O)CCC1)C(C)C |
CC1(C)C[C@@]1(NC(=O)c1ccc[n+]([O-])c1)C(=O)NCC#CC(F)(F)F |
CC=C(C)C(=O)NC[C@@H]1CN(C(=O)c2cc(C)n(C)c(=O)c2)CC[C@]12CCOC2 |
COc1cc(-c2nc([C@@H]3Cc4c(C)cccc4O3)n(CC(N)=O)n2)ccn1 |
CCCn1cccc1C(=O)N1CCC(NC(=O)c2ccc(OCCO)cc2)CC1 |
Cc1cc(C)cc(C(=O)NC(C)(C)C[C@H](F)C(=O)N(C)Cc2csc(C)n2)c1 |
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CN(c2ncnc3sccc23)CCO1 |
CNc1cc(Cl)ccc1C(=O)N1CC[C@](CF)(NC(=O)c2c(C)noc2C)C1 |
C[C@H]1CCCC[C@]1(C)C(=O)N[C@H]1CCO[C@H]1C(=O)NOCC1(F)CCC1 |
CC(C)(CNC(=O)[C@H]1C[C@@H]1C(F)(F)F)CNC(=O)C1(C(C)(F)F)CCC1 |
CC1(C)CO[C@H](C(=O)NC[C@]2(CNC(=O)c3ccnn3CC#N)CC23CCC3)C1 |
COc1c(C(=O)NC[C@H]2[C@@H](C(=O)NCCCc3ccsc3)C2(C)C)cnn1C |
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