smiles stringlengths 6 131 |
|---|
COCc1nc(NCc2nccc(O)n2)cc(N(C)C[C@@H](C)c2ccccc2)n1 |
CN[C@H](C(=O)NCC12CC(C[C@H](C)O1)C2)c1cc(F)ccc1F |
CCc1cnn2ccc(C(=O)N(C)[C@@H](C)CNC(=O)C#CC3(C)CC3)nc12 |
C[C@@H](Cc1cccc(F)c1)C(=O)NC1(CCNC(=O)Cc2cscn2)CCC1 |
Cc1cccc2[nH]c(C(=O)NCC3([C@H](C)NC(=O)[C@H](C)n4cnnn4)CC3)cc12 |
O=C(O)Cn1cc(C2(CNC(=O)C[C@]34CCC[C@@H]3C4)CCC2)nn1 |
Cc1cnc(N2CC[C@H](NC(=O)[C@@H]3NC(=O)C[C@@H]3C)C[C@@H]2C)nc1S(C)(=O)=O |
CSCCCNC(=O)[C@H](C1CCC(C(F)(F)F)CC1)N1C[C@H](C)[C@@H](CO)C1 |
C[C@H](C(=O)N1C[C@@H](NC(=O)c2coc(Cn3cccn3)c2)CC(C)(C)C1)C1CC1 |
COc1cc(Cl)ccc1C(=O)N1CCC[C@H](CN(C)Cc2ccc(CBr)cc2)C1 |
CC[C@H](C(=O)NC[C@H]1CCC(C)(C)CN1C(=O)[C@@H]1CC2CCC1CC2)N(C)C |
CC[C@@](C)(OC)C(=O)NCC[C@H]1C[C@@H](NC(=O)[C@]2(c3ccccc3)CCOC2)C1 |
Cn1ncc(Cl)c1C(=O)NC[C@H](O)CCNC(=O)[C@@H](O)C1CCCCC1 |
C[C@H](CCCCNC(=O)c1coc(C(F)F)n1)NC(=O)[C@@]12CC[C@@H](C1)O[C@@H]2C |
COc1ccnc(NC(=O)C2(CNC(=O)[C@H](C)Sc3ccccn3)CC2)c1 |
C[C@H]1C[C@@H](NC(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 |
C[C@H](C(=O)N1CC2(C1)CN(C(=O)C(C)(C)Br)C2)C1CCOCC1 |
Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)c2nc(C)n(C)c2n1 |
CCCCCC(=O)NCc1ncoc1CCNC(=O)c1oc(C)nc1CC |
Cn1ccc(C(=O)NCCC2(C(=O)Nc3cc(F)cc(CO)c3)CCC2)n1 |
CCC=CC(=O)N(C)[C@H](CC(F)F)C(=O)N1CC(F)(CO)C1 |
CCC[C@@H](C)C(=O)N[C@@H]1CC12CC(NC(=O)c1coc(C3CC3)n1)C2 |
CC[C@H](CCC(=O)N[C@@H]1CN(CC)C[C@@H]1C)NC(=O)Cc1c[nH]nc1C |
C#CC[C@]1(C(=O)NCCCCCNC(=O)C#CC2CCCC2)CCCO1 |
COCCOCC=CC(=O)NC(C)(C)[C@@H](C)NC(=O)c1cccc2ccnn12 |
C[C@@H](c1ccccc1)c1cc(-c2nc(-c3ccc(CN)cc3F)no2)n[nH]1 |
CCCn1cc(C(=O)N2CC(NC(=O)[C@@H]3C[C@@H](C)OC3=O)C2)nn1 |
C=CC[C@@H](C(=O)N1CCCC[C@@H](NC(=O)C2(CCOC)CC2)C1)C(C)C |
CC(C)(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nccc(F)c1Cl)C2)n1ccnn1 |
Cc1cc(N)ccc1C(=O)N[C@H](CNC(=O)c1ocnc1C(C)C)[C@H]1CCOC1 |
COc1cc(OC)nc(C(=O)N[C@H](CO)[C@@H](C)NC(=O)c2coc(Cl)c2)n1 |
COCCCCCC(=O)N(C)[C@H](CNC(=O)/C=C/c1cccc(F)c1F)C1CC1 |
C=CC[C@@H](CNC(=O)c1c(C(F)F)nn(C)c1C)NC(=O)[C@H](C)C(CC)CC |
CCOCCO[C@H](C)C(=O)N1CCOC[C@@H](CNC(=O)C2(O)CC2)C1 |
C#C[C@H](CC(C)(C)C)NC(=O)C[C@@H](CNC(=O)[C@@](C)(COC)OC)OC |
Cc1cnoc1C(=O)N(C)C1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1 |
CC[C@H]1C[C@@H]1CN=c1[nH]c(=NC)[nH]c(=NC[C@@](C)(OC)c2ccccc2)[nH]1 |
CN(CC(=O)N(C1CCCC1)C1CCS(=O)(=O)C1)CP(C)(C)=O |
COCCN(C)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 |
COC1(CNC(=O)Cc2csc(Br)n2)CN(C(=O)[C@@H]2CCCCS2)C1 |
CCc1nc([C@@H](C)N2CC[C@@H](NC(=O)C3(c4cccnc4)CC3)C2)n[nH]1 |
Cc1cc2c[nH]nc2cc1C(=O)N1CCC[C@@H](NC(=O)C=C2CCCC2)[C@@H](F)C1 |
CC(C)/C=C/CCC(=O)N[C@@H](C(=O)N1CC[C@H](C(F)(F)F)C1)C1(O)CCC1 |
Cc1nn(C)c(C)c1C(=O)N(C)CC1(NC(=O)C23CC(CO)(C2)OC3(C)C)CC1 |
C=CCCC(=O)N[C@@]1(C)CCN(C(=O)[C@@H]2[C@H]3CNC(=O)[C@H]32)C1 |
C[C@@H](CC1CN(C(=O)C2C(C)(C)OC2(C)C)C1)NC(=O)C1C=CC=CC=C1 |
C[C@@H]1CNc2c(cccc2C(=O)NCC[C@@H]2CCCCN2C(=O)CCC(F)F)C1 |
CCC(CC)(CNC(=O)[C@H](O)[C@H](OC)C(C)C)NC(=O)C[C@@H]1OCCC1(C)C |
CC(=CC(=O)N[C@H]1[C@@H](C(=O)N(C)[C@H](C)C(C)C)C1(C)C)C(C)(C)C |
COCC1(CC(=O)N[C@@H]2C[C@H]2CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)CCCC1 |
Cc1noc(C)c1C(C)(C)NC(=O)[C@H]1C[C@@H]2CC[C@@H]21 |
Cc1occc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc3n(n1)CCCN3)C2 |
CCc1noc2ncc(C(=O)N[C@@H]3CCN(C(=O)CN4CCC4)CC3(C)C)cc12 |
C[C@H]1CCC(C)(C)N1C(=O)C[C@@H](NC(=O)[C@H](C)CC1CCC1)C(F)(F)F |
CC[C@@H](NC(=O)Cc1cccs1)C(C)(F)F |
COC(=O)Cc1cccc(CN2CC[C@](F)(C(=O)Nc3cnc(C)c(C)n3)C2)c1 |
CC12CC(C(=O)NC3CN(C(=O)Cc4csc(-c5cccs5)n4)C3)(CCO1)C2 |
Cc1cc(Cl)ccc1NC(=O)C[C@@H]1[C@@H](NC(=O)[C@H]2CC3(CCC3)CO2)C[C@H]1O |
Cc1ccc(C(=O)N(C)CC2(NC(=O)c3cc(Cl)c(F)cc3O)CC2)c(C)n1 |
CC1=C(F)CN(C(=O)CCOCCCNC(=O)[C@@H](F)n2ccnc2)CC1 |
CCCSCCc1nc(-c2cocn2)no1 |
CC[C@H](C(=O)NC[C@H](C)CN(C)C(=O)c1cn2ccsc2n1)n1cccn1 |
Cc1cc(CC(=O)NC[C@](C)(O)CNC(=O)[C@H](C)Cc2cccnc2)c(C)s1 |
CO[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)cc2C)N(C(=O)[C@@H](C)NC=O)C1 |
O=C(N[C@H]1CN(C(=O)c2cc(F)c(F)c(Cl)c2)CCC1(F)F)c1csc(Cl)n1 |
CCC[C@H](C)N1C[C@H](C(=O)N2C[C@H](NC(=O)C3=CCSC3)CC3(CC3)C2)CC1=O |
CC1(C)CC(=O)N[C@@H]1CNC(=O)[C@H](CCOCCO)NC(=O)CSc1cn[nH]c1 |
Cc1ccn([C@H](C)CC(=O)N2CC(=C(F)CNC(=O)c3cccc(C)c3F)C2)n1 |
O=C1CCCc2occ(C(=O)N[C@H]3CCSC34CN(C(=O)[C@H]3CCCS3)C4)c2N1 |
CC1(NC(=O)[C@@]2(C3CCOCC3)CC2(F)F)CN(C(=O)[C@@H]2C=CCC2)C1 |
O=C(NCCC[C@H](O)CO)[C@@H]1CC2(CCN1C(=O)c1ccc(O)nc1)CC2 |
C[C@H]1CCC[C@]1(C)C(=O)NCC(C)(C)NC(=O)C=C1SCC(=O)N1C |
CC[C@@H](c1cn(C[C@@H](CNC(=O)c2cnn(CC)c2Br)OC)nn1)N(C)C |
CN(CC1CCN(c2ccnc(Br)n2)CC1)C(=O)c1ccccc1NS(C)(=O)=O |
Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C(=O)c2nc(Br)cnc2N)oc1C |
CCNC(=O)CCC(=O)N1CCC[C@H]2CCN(C(=O)c3ccc(C)cc3Cl)C[C@H]21 |
CCC[C@@H](CC)C(=O)NCC1(O)CN(C(=O)[C@]23C[C@H]2[C@H](c2ccccc2)C3)C1 |
CC(C)n1ncc([C@H](C(=O)NCCC#N)N2CC[C@H]3CC[C@H](O)[C@H]2C3)c1I |
C[C@H](CN(C)C(=O)c1ccc2c(c1)CCO2)NC(=O)C(C)(C)C1CC1 |
COC(=O)C[C@@H](C)N(C)C(=O)[C@@H]1[C@H](C)CCN1C(=O)C[C@@H]1CCC[C@H]2C[C@H]12 |
Cc1nc(NC[C@@H]2OCCc3sccc32)cc(=N[C@H](C)c2nncn2C)[nH]1 |
CC(C)CN1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(=O)OC(C)(C)C)C1 |
CS[C@H](C)CCC(=O)N1CCN(Cc2cc(F)ccc2F)CC1 |
Cc1cccnc1CCCNC(=O)N[C@H](C)Cc1ccc(O)cc1 |
Cc1ccsc1C(=O)N[C@@H]1CCC12CN(C(=O)CCC(=O)c1ccc(F)cc1)C2 |
Cc1n[nH]cc1C(=O)N[C@@H]1CCN(C(=O)[C@@]2(C(C)C)CNC(=O)C2)C[C@H]1O |
COC(=O)[C@@]12C[C@@H]1CN(c1nnnn1Cc1ccccc1)C2 |
Cc1ccc(CNC(=O)C2([C@H]3CCCN3C(=O)c3nnccc3C)CC2)nn1 |
C[C@]1(CC(=O)NCCCN(CCO)C(=O)CS(C)(=O)=O)C[C@H]1F |
CCOc1ccc(N[C@H](c2cscc2Cl)c2nnnn2C2CC2)cc1F |
CCC[C@H](C#N)C(=O)N[C@@H](COC(C)C)C(=O)NCCCC[S@@](C)=O |
CCCCC(=O)C(=O)N1CC[C@@]2(CCCCN(C(=O)CC=C(Cl)Cl)C2)C1 |
CN(C)CCCC(=O)N1CCN(C(=O)c2ccnc(C(F)(F)F)c2F)[C@@H](CF)C1 |
C[C@]1(CCC(=O)N[C@H]2CC23CCN(C(=O)C2=CCOC2)CC3)CCC(=O)N1 |
C#CCCCCC(=O)N1CCN(C(=O)[C@@H](C)SCCCC)C[C@@H]1CC(=O)NC |
Cc1nc(C)c(C(=O)NCCc2cc(C(=O)N(C)C[C@H](O)CF)no2)o1 |
C#CCCOCC(=O)N1C[C@@H]2C[C@]2(CNC(=O)c2cc(O)ncn2)C1 |
CCN(CC)C(=O)CNC(=O)[C@@]12C[C@H](n3cc([C@H](O)C4CC4)nn3)[C@@H]1C2 |
CNS(=O)(=O)CC(=O)NCCCCCN(C)C(=O)Cc1ccc(C(F)(F)F)nc1 |
COc1c(C(=O)N2CC=C[C@@H]2CNC(=O)[C@@]2(C)CCNC(=O)C2)ccc(Cl)c1Cl |
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