smiles stringlengths 6 131 |
|---|
CC(=CC1CC1)C(=O)NCC1(CN(C)C(=O)Cc2ccccc2S(C)(=O)=O)CC1 |
C/C(I)=C/C(=O)N(C)C1CCN(C(=O)C(F)=C2CCC2)C1 |
CCc1cc(N2CC(CC(=O)OC)C2)n2ncc(Br)c2n1 |
CSc1ncc(C(=O)NCCCN(C(=O)c2cc3ncccc3[nH]2)C2CC2)s1 |
C#CCNC(=O)CC(=O)N[C@@H]1CCOC[C@@H]1C(=O)N[C@@H]1CCc2cccnc21 |
O=C(NCc1cn([C@@H]2CCCc3c(O)cccc32)nn1)Nc1ccccc1 |
COc1ccc(-c2cc3c(s2)CCN(Cc2ccc(C(=O)O)cc2F)C3)c(F)c1 |
C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)c3cc(C4CC4)[nH]n3)C2)CNC(=O)C1 |
CCC[C@H](O)CC(=O)NC(CC)(CC)CCNC(=O)[C@@H](C)NC(=O)C1CCC1 |
CC(C)[C@@H](NC(=O)c1cnco1)[C@@H](C)NC(=O)CCc1nc2ncccn2n1 |
CCN1CCC[C@H](n2cc(CNC(=O)[C@]34C[C@H]3COC4(C)C)nn2)C1=O |
Cc1nocc1CC(=O)NCC1=NO[C@H]2CN(C(=O)c3cccnn3)C[C@H]12 |
Cn1nccc1C1(CNC(=O)N[C@@H]2CCc3sc(Br)cc32)CC1 |
COC[C@@H]1COCCN1C(=O)CCOCCCNC(=O)C(C)(C)CCSC |
C=C1CC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c(CC)nn(C)c2CC)CC12CC2 |
C=CC[C@@H](OC)C(=O)N1C[C@H](NC(=O)c2cc(C)ccc2F)CC12CCCCC2 |
CC(C)[C@@H](C#N)C(=O)N1CCN(CCNC(=O)C2=C[C@H]3CC[C@H]2C3)CC1 |
Cc1coc(C(=O)NC(C)(C)CCNC(=O)C[C@H]2CCCC23CC3)c1 |
NC(=O)c1c[nH]c(C(=O)NC2(C(=O)NC[C@H]3CCCOC3)CC(F)(F)C2)c1 |
CCN(C[C@@H](C)NC(=O)c1ncc(Br)cc1C)C(=O)COCP(C)(C)=O |
Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)C3(C4CCC4)CC3)C2)sc1Br |
CO[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cccc(C(C)C)n1 |
CCN1CCC[C@H]1C(=O)NCCC1(OC)CN(C(=O)CCc2cnc(C)s2)C1 |
C[C@H](C(=O)N1C2CCC1(CNC(=O)c1cc3cc(Cl)ccc3n1C)CC2)C(F)F |
C[C@H](C(=O)N1CCC[C@H]1[C@@H](C)NC(=O)[C@H]1CCC[C@H]1F)C1CC1 |
Cc1nocc1C(=O)N1[C@H](C(=O)Nc2cnc3cc[nH]c3c2)C[C@H]2C[C@@H]21 |
NC(=O)NCCC(=O)N1CCN(C(=O)c2nc(O)nc(O)c2N)C[C@@H]1CO |
COC[C@H](CC(C)C)C(=O)N1C[C@@]2(C(=O)N(C)[C@H](C)[C@@H](C)SC)C[C@H]1CCO2 |
Cc1nc(C)c(C(=O)N(CCNC(=O)CCc2ccc(F)c(F)c2F)C2CC2)o1 |
CC[C@H](NC(=O)[C@@H]1C=CCN(C(=O)C2CCC(=O)CC2)C1)[C@H](C)CN(C)C |
CCC[C@H](F)C(=O)NC[C@H]1CCN(C(=O)[C@H](COC)N(C)C)[C@@H](C)C1 |
N#C[C@@]1(C(=O)NC2CN(C(=O)c3csc4cc(Cl)cnc34)C2)CCCOC1 |
O=C1CCCC[C@@H](C(=O)N[C@@H]2CN(C(=O)c3nc4cc(F)ccc4s3)C[C@@H]2F)N1 |
CCC[C@H](F)C(=O)N1CCC[C@H]1C1(C(=O)NCC(C)(C)C(=O)NC)CC1 |
Cn1[nH]nnc1=NCCCN(CC1CCCC1)C(=O)c1cnn2c1C(=O)NCC2 |
O=C(N[C@H]1CCC[C@H]1C(=O)N[C@H]1[C@@H](O)[C@H]2CCO[C@@H]12)c1cn2ccccc2n1 |
O=C(CSCc1ccncc1)N[C@@H]1C=CCN(C(=O)Cc2cc[nH]c2)C1 |
Cc1cnc(C(=O)NC[C@@H](NC(=O)c2cc(N)nc(Br)c2)C2CCC2)cc1C |
Cn1cnc(C(=O)N2CC[C@H]3[C@@H]2C[C@H]3NC(=O)[C@@H]2[C@H]3COC[C@H]32)c1 |
COc1nc(C(=O)N[C@H](CO)[C@H](C)NC(=O)CC(F)(F)C(F)(F)F)sc1C |
COc1cccc(O[C@@H](C)[C@@H](C)Nc2ccnc(O)c2)c1 |
CC(C)C(=O)N[C@@H](CO)C(=O)N1C[C@@H](NC(=O)COC(F)(F)F)CC12CCC2 |
O=C(C[C@@H]1CSCCS1)NC[C@@H]1C[C@H]1CNC(=O)C1(F)CCCCC1 |
CC[C@@H](CC(=O)NC[C@@H]1CN(C(=O)C2(CF)CCC2)CCCO1)C1CCC1 |
CC(C)[C@@H](CCNC(=O)[C@@H](O)Cn1cncn1)NC(=O)C(C)(C)C(N)=O |
C[C@]1(O)CCN(CC(=O)N2CC3(CC(NC(=O)C[C@@H]4CCCCO4)C3)C2)C1 |
C=C[C@@H](C)CC(=O)NCc1csc(C(=O)NCC(C)(CC)CC)c1 |
CSCC1(C(=O)N[C@H]2CC=CC[C@H]2C(=O)N2C[C@H]3[C@H](C2)C3(F)F)CC1 |
CCCCCCCNC(=O)[C@H](O)C1CN(C(=O)[C@H]2CCC(=O)C2)C1 |
CCC(CC)C[C@@H](F)C(=O)N1CC[C@@]2(CCN(C(=O)CCOC3CC3)C2)C1 |
O=C(C[C@@H]1CCC[C@H]1O)NCCc1cc(C(=O)N2C[C@H]3CCC=C[C@H]32)no1 |
CO[C@@H]1C[C@H]2CC[C@H]1C[C@@H]2C(=O)N1CCN(C(=O)c2c(C)ncn2O)CC1 |
CC(C)c1ccccc1[C@@H](C)N[C@@H](C)c1cnnn1-c1ccccc1 |
CCN1CC[C@@H](C(=O)NCCC(C)(C)CNC(=O)c2ccc3[nH]c(=N)oc3c2)C1 |
COc1cccc(-n2nc(-c3ccc(N)cn3)nc2[C@@H]2CCS(=O)(=O)[C@@H](C)C2)c1 |
C=C(CC#N)CN(CCC(C)(C)O)C1CCCC1 |
CN1C(=O)CCC[C@H]1C(=O)NC1([C@@H]2CCCN(c3nccn4nnnc34)C2)CC1 |
CC(C)(C)[C@]1(CO)CCN(c2nc(N3CCO[C@@H](CCF)C3)c3ccsc3n2)C1 |
NC(=O)NCCCCC(=O)NC[C@@H]1CCCN(C(=O)CC[C@@H]2CCCCO2)C1 |
COc1ncc(C(=O)N[C@H]2C[C@@H](C(=O)N(C)CC3(C#N)CC3)C23CCC3)s1 |
CCC(CC)[C@@H](C)C(=O)NC1CCC(NC(=O)C2CN(C(C)C)C2)CC1 |
CC(C)[C@H]1CN(C(=O)[C@@H]2CC23CC(O)C3)CCN1C(=O)c1cnn(CCF)c1 |
N#CCCCC(=O)N[C@@H]1C[C@@]2(NC(=O)Cc3ccccc3)CO[C@@H]1C2 |
CCc1cc(C)ccc1NC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2O)CCO1 |
COCCCOCC(=O)N1CCO[C@@H]2CCN(C(=O)C(F)=C3CCCC3)C[C@@H]21 |
CCN(C)CC=CC(=O)NC[C@@H]1CC[C@H]1NC(=O)CCc1ccccc1F |
CSc1ccc(NC(=O)[C@H]2N(C(=O)CC[C@H](C)SC)CC23CCCC3)cn1 |
CC(C)CNC(=NCCCNC(=O)C1CCC1)NC[C@@H]1CN2CCC[C@H]2CO1 |
CC(C)N1CC(C(=O)N2[C@@H](C(=O)NOC[C@H](O)C(C)(C)C)CCC23CC3)C1 |
COC(=O)NCCC(=O)N1CC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccncc2)C1 |
CN1CCC[C@H]1[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)C(=O)CCC2 |
C[C@@H](C(=O)NCCO[C@@H]1CCN(C(=O)C(C#N)=Cc2ccccc2)C1)C(C)(F)F |
CC[C@@H](C)C(=O)N1CCC(CNC(=O)COCCNC(=O)c2ccccc2)CC1 |
COCC(=O)N(C)CC(=O)NCCN(C)C(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 |
O=C(C[C@H]1CCCc2ccccc21)NCCNC(=O)c1ccc2nc(Cl)nn2c1 |
CC(C)[C@H](CC1CCCC1)C(=O)Nc1nc2c(-c3nn[nH]n3)cccc2n1C |
Cc1c(Br)cc(F)cc1C(=O)N1C[C@H](NC(=O)CSC(C)C)CC[C@H]1C |
Cc1nc2n(n1)C[C@@H](C(=O)N1CCC[C@@](O)(CNC(=O)CP(C)(C)=O)C1)CC2 |
C[C@@H]1CCCN1C(=O)[C@]12C[C@H]1CN(C(=O)c1cccc3ccc(Br)cc13)C2 |
CC1(NC(=O)CC2CC(=O)NC(=O)C2)CC(NC(=O)[C@@H]2C[C@H]2C(C)(F)F)C1 |
C[C@H](CNC(=O)c1cnn2c1CCC2)C(=O)N1O[C@H]2C=C[C@H]1CC2 |
CN1CCC[C@@H](C(=O)N2CC[C@H]3[C@@H](C2)CN3C(=O)c2cc(C(F)F)ccc2Cl)C1 |
CCc1csc(C(F)(F)C(=O)N2CCC(C(=O)NC(C)(C)C)CC2)n1 |
Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)Nc2ccc(O)c(C)c2C)c(C)[nH]1 |
COCCC[C@H](C)C(=O)NCc1csc(CNC(=O)c2c(C)nc(=N)[nH]c2C)n1 |
CC[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1cc(F)c(C)cc1Cl |
CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)C(C)(C)NC(=O)OC)C1)C1(O)CCCCC1 |
CN(C(=O)c1csc2c1CCC(C)(C)C2)[C@H]1CCN(C(=O)c2ccncn2)C1 |
CCN(CCNc1nccnc1C#N)C(=O)c1cc(C2(C)CC2)n[nH]1 |
C[C@@H]1CCC[C@H]1CC(=O)NCc1nnc2n1CCN(C(=O)CC1CS(=O)(=O)C1)C2 |
CC(C)C[C@@H](C(=O)NOCCCCC1CC1)N(C)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 |
CC#CCCCC(=O)N(CCNC(=O)c1cn2c(n1)CCCC2)CC1CC1 |
Cc1scc(C(=O)N(C)[C@H]2[C@@H]3CN(C(=O)[C@@H]4CCn5c(C)nnc5C4)C[C@@H]32)c1C |
COC[C@@H](O)CN(C)C(=O)[C@](C)(CSC)NC(=O)CSc1cn[nH]c1 |
CN1CC[C@@](O)(CNC(=O)C2=CCCN(C(=O)C3(CO)CCCC3)C2)C1 |
Cc1onc(C(=O)NC[C@H]2CCN(Cc3ccc(O)c(C#N)c3)C2)c1C |
CCc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2NC(=O)CSCC(F)F)c(C)nn1 |
C[C@@H]1CCN1CC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1ccc(C(F)(F)F)c(N)c1 |
C=CC(C)(C)C(=O)NCC[C@@H]1CCCN1C(=O)c1ccc(Cl)c(F)c1O |
CCCC(C)=CC(=O)NCCC1CC(NC(=O)c2cccc3c2CCN3)C1 |
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