smiles stringlengths 6 131 |
|---|
CCC(C)=C(C)C(=O)NCC1(C(N)=O)CN(C(=O)CCO[C@@H](C)CC(C)C)C1 |
Cc1cccc(N[C@@H](c2ccc(Br)c(C)c2)c2nnnn2CCOCC2CC2)c1 |
CNC(=O)COCC(=O)N1[C@H]2CC[C@@H]1CN(C(=O)[C@H](F)C1CCOCC1)C2 |
O=C(CC1CCC1)N1C[C@H]2CN(C(=O)C3(CC4CCC4)CC3)C[C@H]2C1 |
NC(=O)[C@@H]1CC[C@H](C(=O)NC23CC(NC(=O)c4cc(N)cc(O)n4)(C2)C3)O1 |
COC[C@@H](CC(C)C)C(=O)N(C)CCOCCNC(=O)CCn1cncn1 |
CN(C)CCCCC(=O)NC(C)(C)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 |
O=CNCC(=O)N1CCC[C@@]2(CCN(C(=O)c3cnc4c(c3)CCC(=O)N4)C2)C1 |
C#Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3sc(C)nc3C)C[C@H]2C)cc1C |
CCC(F)(F)CC(=O)NCCOCCCNc1ncnc2c1cnn2C |
CC[C@H](C(=O)N[C@@H]1CN(C(=O)C2(COC)CCC2)C[C@H]1C)n1ccc(C2CC2)n1 |
CO[C@@H](CC1CCCCC1)C(=O)NC(C)(C)CCNC(=O)c1ccon1 |
C#C[C@@H](CCC)NC(=O)C(C)(C)[C@@H]1CCCN1C(=O)Cc1csc(C)n1 |
CCn1cc(CC(=O)NC[C@H]2C[C@@H]2NC(=O)c2cnc3nc(C)[nH]n3c2=O)nn1 |
COCCCC(=O)NC[C@H](NC(=O)c1ccc(OC(F)F)nc1)[C@@H](C)C(C)C |
O=C(NC[C@]1(O)CCN(C(=O)c2coc(Cl)c2)C1)c1ccc(-c2csnn2)cc1 |
O=C(c1ccccc1Cn1cc(C2[C@@H]3CCCC[C@@H]23)nn1)N1CC[C@H]2[C@H](O)C[C@H]21 |
CC[C@@H](F)C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1 |
Cc1nc(C)c(-c2c[nH]c(=NCc3ccc(Sc4ncccn4)o3)s2)s1 |
CSc1ccc(NC(=O)[C@@H]2CN(C(=O)C(C)(F)F)CC23CCC3)cc1 |
O=C1CCc2cc(F)c(NC(=O)N[C@@H]3CC[C@H]4CNC[C@H]4C3)cc2N1 |
N#Cc1cc(S(=O)(=O)N2CCc3cc(F)ccc3C2)ccc1NCC#CCCO |
COc1nc(Cl)ccc1C(=O)N[C@H]1C[C@@H]1NC(=O)C1=NN(C)C(=O)CC1 |
CN(CC1(CNC(=O)c2csc(=NC3CC3)[nH]2)CC1)C(=O)[C@]1(C)CC1(F)F |
C[C@H](CC1CC1)C(=O)N1CC[C@@H](N(CCO)C(=O)c2ncnc(O)c2F)C1 |
COc1ccc2cc(-c3nc([C@H](C)O)nn3-c3cccc4ccncc34)sc2c1 |
C=C[C@H](OC)C(=O)NC[C@]1(CNC(=O)c2coc3c2COC3)CC12CCC2 |
CCC12CN(C(=O)c3ccc(C)cn3)C(CNC(=O)c3cc(Cl)cnn3)(C1)C2 |
CCCN(C)CC(=O)N[C@@H](CC(=O)N1CCn2cnnc2C1)C(F)F |
C[C@](O)(C(=O)NCCCCCCNC(=O)[C@@H]1CCC(=O)NC1)C1CCC1 |
COC1(C(=O)N[C@H]2CCC[C@@H](NC(=O)[C@H]3C=CCC3)C2)CCCC1 |
Cc1cnc(CCCC(=O)N2CCC[C@@H]2CNC(=O)Cc2nc(=N)[nH][nH]2)o1 |
C[C@@H](O)[C@H](Cc1cccc([N+](=O)[O-])c1)NC(=O)CN1CCSC1=O |
C#CCCCCC(=O)N1CCN(C(=O)[C@H]2C[C@]2(C)C(F)(F)F)CC12CC2 |
CCN1CCC(C(=O)N2CC[C@@H](O)C[C@H]2C(=O)NCC(C)(C)F)CC1 |
Cc1ncc(CC(=O)NC[C@H]2[C@H](O)[C@H](O)CN2C(=O)[C@H]2CC23CCSCC3)s1 |
C[C@H](NC(=O)c1cnc[nH]1)C1(O)CN(C(=O)c2ccc(NC(=O)CC#N)cc2)C1 |
C[C@@H]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCCN(C(=O)[C@H]2CCS2(=O)=O)CC1 |
C[C@]1(CNC(=O)C2([C@@H]3CCCN3C(=O)C[C@@H]3C=CCC3)CC2)CCCC(=O)N1 |
CSC[C@@](C)(NC(=O)C=CC(F)(F)F)C(=O)N[C@@H]1[C@H]2CCC(F)(F)[C@H]21 |
COC(=O)N(C)Cc1ccc(-n2cc(CN3C[C@H]4C[C@H]4C3)nn2)cc1 |
Cc1cc(O)ccc1CC(=O)N1CC[C@H](N(C)C(=O)[C@@H](F)CC(C)C)C1 |
CCN(CCCCO)C(=O)[C@]1([C@@H]2CCCCO2)CCCO1 |
C=C[C@H](C)C(=O)N(C)[C@@H]1CCC[C@H]2CN(C(=O)Cc3ccccc3C)C[C@H]21 |
Cc1ccc(C=CC(=O)NCC2(NC(=O)c3cnc(F)cc3C)CC2)o1 |
CCc1ccc([C@@H](C(=O)NCc2ccccc2OC)N2CCSCC[C@@H]2C)nc1 |
Cc1ncc(N)cc1C(=O)NCC1(NC(=O)c2ccn([C@@H]3CC3(F)F)n2)CC1 |
CN1CCC[C@H](CCCNC(=O)[C@@H]2CCCn3c(Br)cnc32)CC1 |
COCCN=C(NCc1cccc(CO)c1)NC[C@H](O)c1cnn(C)c1 |
O=C(OCc1cc2c(cc1Br)OCCO2)c1ncc(Cl)cc1Cl |
CC(C)C[C@H](CNC(=O)CCN1CCCC1=O)NC(=O)CCCC(N)=O |
CSc1c(C(=O)N2CCN(C(=O)c3cnn[nH]3)CC[C@@H]2C)cnn1C |
CCCS(=O)(=O)CC(=O)N1CC2(CNC(=O)c3cc(CC)nn3C)CCC1CC2 |
CC[C@H](C)CC(=O)N[C@@H]1CCC12CCN(C(=O)Cc1ccc(Br)nc1)CC2 |
COc1cc(CN2CCC3(CC2)CCN(C(=O)c2ccsc2Cl)C3)c(F)cn1 |
CC[C@@H]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@@]1(C)CCC(=O)C1 |
CC(C)N1CC2(CN(C(=O)C[C@@H]3CN(C(=O)[C@H](C)OCCN(C)C)CCO3)C2)C1 |
CC(C)[C@@H](O)C(=O)NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)Cn1cc(C#N)c(O)nc1=O |
CCc1nc(C(=O)N[C@H]2CC[C@@H]2NC(=O)Cc2ccc3c(c2)CCCN3C)co1 |
C=CCC[C@@H](C)Nc1cc(N2CCC[C@H](C(F)F)C2)nc(C(F)(F)F)n1 |
CO[C@H](C)[C@@H](C(=O)N[C@@H]1CC[C@H](CC(=O)N[C@@]2(CO)CCOC2)C1)N(C)C |
COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCC[C@@H]1COC(C)(C)O1 |
COc1cccc(-c2n[nH]cc2CN2CCC[C@]3(CCC(=O)NC3)C2)c1 |
CCCN(CCNC(=O)C1CCC=CCC1)C(=O)[C@@H](C)N1CCCCC1=O |
O=C(c1ccc2nc(Br)nn2c1)N1CC[C@]2(C(=O)N3C[C@@H]4C[C@H]4C3)C[C@@H]2C1 |
Cn1nc(C(=O)NC[C@H](NC(=O)C(C)(C)O)[C@@H]2CCOC2)cc1C(F)F |
COC(=O)[C@H](C)C(=O)N1C[C@H](C)C[C@H]1C(=O)N[C@H](C)CC(C)(C)OC |
C[C@@H]1C[C@@H](NC(=O)c2cccc(Cl)n2)CCN1c1nnc(C(C)(C)C)o1 |
CCc1cc(C(=O)NCCN(C)C(=O)c2cccn3c(CO)nnc23)ncn1 |
C=CCC1(C(=O)NC[C@](C)(NC(=O)[C@@H]2C[C@H]2C=C)C2CCC2)CC=CC1 |
COCCC[C@H](C)C(=O)N[C@]12C[C@H]1CN(C(=O)c1c(F)cc(Cl)cc1F)C2 |
CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(OC(F)F)ccc2F)CCC12CC2 |
C=C[C@H](C)CC(=O)N(C)CCNC(=O)[C@H](C)C(C)(F)F |
CCCC[C@H](NC(N)=O)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)[C@H]1CO[C@H](C)C1 |
COc1c[nH]nc1C(=O)NC[C@H]1CC[C@H](C)N(C(=O)CN(C)C(C)C)C1 |
Cc1cc(C(=O)NC[C@H]2CCCN(C(=O)[C@H]3CC(C(C)C)=NO3)C2)cs1 |
C[C@@H]1CN(C(=O)C2=CCSC2)CC[C@H]1NC(=O)c1ccc(C(F)F)cc1Cl |
O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)C1(c2ccc(F)cc2)CCCCC1 |
C=C1CC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]4C=C[C@@H]3C4)CC[C@H]2CO)(C(F)(F)F)C1 |
N#C[C@H]1CC[C@@H]1C(=O)N1CC[C@@H](CCC(=O)NCc2c(O)cccc2F)C1 |
Cc1cc(O)cc(C)c1CC(=O)NC[C@@H](CO)NC(=O)c1n[nH]cc1Br |
COC(=O)c1no[nH]c1=NC(=O)[C@@H]1CN(C(=O)c2cc3ncsc3[nH]2)CC[C@H]1O |
C[C@@H]1C[C@@H](NC(=O)COCP(C)(C)=O)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 |
COc1cc(Cl)cc(C(=O)N2CC[C@@H](CN(C)c3ncc(Cl)c(O)n3)C2)c1 |
O=C(O)CC1CCN(C(=O)NCCc2ccc(Br)cc2)CC1 |
CC(=O)N1CCC[C@H](C(=O)N2CC(C[C@@H](C)NC(=O)c3cnco3)C2)C1 |
C#CC1(C(=O)NCC#CCNC(=O)c2c(CCC)nsc2N)CCCC1 |
COC(=O)c1cc(C(=O)N2CCC3(CCC3)[C@@H](NC(=O)CCOC3CC3)C2)on1 |
CCSCCCn1nnnc1[C@@H](Nc1cn2ccccc2n1)c1cc(C)c(Br)s1 |
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CCN1C(=O)c1cccc([S@](C)=O)c1 |
CCOC(=O)c1cccnc1N(CC)CCCNC(=O)C1CCC2(CC1)CC2 |
Cc1nc(C=CC(=O)N2CC=C[C@@H]2CNC(=O)C[C@@H](C)C(C)(C)C)[nH]c1C |
COC1(CC(=O)NC[C@@H]2CC(C)(C)CN2C(=O)CCC2CC(C)C2)CCCC1 |
C=C(C)C[C@H](NC(=O)C(=CC)CC)C(=O)N(C)[C@H](C)C(C)C |
COc1cc(C)ccc1C(=O)N1C[C@H]2C(CNC(=O)c3cn(C4CC4)nn3)[C@@H]2C1 |
C#CCCCOCC(=O)NCCC[C@H](C)NC(=O)c1ccc(N)c(Cl)c1O |
Cc1cc(C(=O)NC2(C)CN(C(=O)c3cc(=O)c4ccncc4o3)C2)cc(O)n1 |
CC(C)[C@H](O)CONC(=O)[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(=S)cn3)C[C@H]21 |
CC(C)(C)c1ncc(CNCc2ncccc2Br)o1 |
CCc1ncc(C(=O)N2C[C@@H]3CCCN(C(=O)c4ncnc(C)c4OC)[C@@H]3C2)s1 |
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