smiles stringlengths 6 131 |
|---|
COC(=O)c1cccc(C(=O)N2CC(NC(=O)[C@@H]3C[C@]3(F)Cl)C2)c1C |
COCC[C@H]1CN(C(=O)COC(C)C)CCN1C(=O)[C@@H]1CCCc2sc(C)nc21 |
COc1cc(C(=O)N2CCC([C@](C)(O)CNC(=O)c3csnc3OC)CC2)sn1 |
CC1(NC(=O)[C@@H]2CCCN2NC(=O)COCCF)CCCCC1 |
C=CC[C@H](CC(C)C)C(=O)NC[C@@H](NC(=O)c1cnn(CC)n1)C1CCCCC1 |
Cc1cc(C(=O)N[C@@]23CCC[C@@H](CN(C(=O)[C@H]4CC4(C)C)C2)C3)n[nH]1 |
C[C@@H](CF)C(=O)NCC1(CCNC(=O)CCc2cn(C)nn2)CC1 |
CC[C@@H](c1cccnc1)N1C(=O)[C@H](c2cc(F)c(F)c(F)c2)N(C)C1=O |
O=C(CCc1cc(Cl)no1)N[C@H]1CCC[C@H]1NC(=O)c1cn(CCCF)nn1 |
O=C(NCc1ccccc1)N1CCN(C(=O)[C@H]2CC23CNC3)CC1 |
CC[C@H](C#N)C(=O)N[C@H](C(=O)NCC(=O)N1CCCO1)c1ccco1 |
O=C(NC1CC1)[C@@H](c1ncc(-c2ccccc2)s1)N1CCC[C@@H](c2cnc[nH]2)C1 |
CN(C)CC1(C(=O)N2CCC(CNC(=O)C(=O)N(C)C)CC2)CC1 |
CCCC[C@@H](C(=O)N1C[C@H]2C[C@@]2(CNC(=O)Cn2cccc(O)c2=O)C1)C(C)C |
C[C@H](CC(=O)NCc1ccc(Cl)cn1)N(C)C(=O)[C@]12COC[C@H]1C2 |
Cc1cc(C)c(C(=O)N2CC[C@@H](NC(=O)C[C@H]3CCCC4(CC4)C3)C2)o1 |
CC1=NO[C@@](C)(C(=O)N2CCC(C[C@H](C)NC(=O)C(C)(C)CC(C)C)CC2)C1 |
Cn1nccc1[C@@H](O)C(=O)OCC(=O)NCC1CCOCC1 |
N#C[C@@]1(C(N)=O)CCN(C(=O)[C@@H]2CC=C[C@@H](n3cc(C4(O)CCCC4)nn3)C2)C1 |
COCc1nn(C)cc1C(=O)NC1CC(C)(NC(=O)[C@H]2CN(C(C)C)CCO2)C1 |
C[C@H]1[C@@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)C[C@H]2CC[C@H]1N2C(=O)C=CC(N)=O |
CC(C)c1cc(F)c(C(=O)N(C)[C@H](C)CNC(=O)c2cccc(N)c2F)cc1F |
O=C(NC1(c2cn(-c3c(F)cccc3F)nn2)CCC1)c1n[nH]cc1I |
COC(=O)CCCCC(=O)N[C@@H](C)c1ccc(CNC(=O)COC(F)(F)F)cc1 |
C[C@H](C(=O)N1CCN(CCCCCNC(=O)[C@@]2(C)C[C@@]2(F)Cl)CC1)c1ccsc1 |
COC(=O)c1c(Cl)nc[nH]c1=NC[C@@H](C)N(C)C(=O)c1cc(C(F)F)nn1C |
CC#CCCC(=O)N[C@]1(C)CCC[C@H]1NC(=O)[C@@H]1CCc2n[nH]cc2C1 |
COC1(CNC(=O)C[C@]23CC[C@H]2CN(C(=O)CCc2cncnc2)C3)CC1 |
CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NCc1ccc(O)nn1 |
COc1cccc(C(=O)N[C@@H](C)CN(C)C(=O)[C@H](OC)c2cnn(C)c2)n1 |
O=C1NC[C@@H](CC(=O)N2C[C@@H](O)C[C@H](NC(=O)c3ccc(F)cn3)C2)O1 |
CC[C@@H](COC)C(=O)N1CC[C@H](C(=O)NCc2nnn(C)n2)C(C)(C)C1 |
CCc1noc(CCCC(=O)NC[C@@H]2C[C@H]2CNC(=O)CCCCC(F)F)n1 |
O=C(Nc1ccc2c[nH]nc2c1)[C@@H]1CCC2(CC2)N1C(=O)c1ncncc1Cl |
O=C(N[C@H]1C[C@@H](O)CN(C(=O)CCSc2ccccc2)C1)c1cncc(Cl)c1 |
CCN1CCC[C@H](C(=O)N2CCC([C@@H](NC(=O)CC3CC=CC3)C(C)C)CC2)C1 |
CSCC[C@H](O)C(=O)N1CCN(C(=O)CCOCC(F)F)[C@@H]2CS(=O)(=O)C[C@@H]21 |
C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](N(C)C(=O)c2noc3c(F)cccc23)C1 |
C[C@H](NC(=O)N=c1ccc(C2CCCCC2)n[nH]1)C(=O)NCc1ccccc1 |
Cc1ncccc1C=CC(=O)NCCOCCN(C)C(=O)c1cc(N)ccc1F |
COCCN(C(=O)C12CC(C1)C2)C1CCN(C(=O)[C@@H]2CCCc3ccnn32)CC1 |
CC(=O)N(C)CCC(=O)N1CCC[C@H]1[C@@H](C)NC(=O)[C@H]1Cc2cc(F)ccc2O1 |
COc1cc(C)cc(C(=O)NCCC2CN(C(=O)CC3CN(C)C3)C2)c1C |
CCCn1ncc(C(=O)NC[C@@H](O)CNC(=O)CS(=O)(=O)NCC)c1Cl |
CC[C@H](CC(=O)N1CCN(C(=O)[C@H]2CCN(CC)C2)C[C@H]1C1CCCC1)SC |
CCO[C@@H](C)CCC(=O)NC[C@H](C)N(C)C(=O)Cc1ccc2cnccc2c1 |
C[C@]1(CNC(=O)[C@H]2COC(=O)N2)CCN(C(=O)/C=C/c2ccc(Cl)s2)C1 |
CC[C@@H](NC1CCN(OCc2ccccc2)CC1)c1c(C)noc1C |
C[C@@]1(CNC(=O)[C@H]2CCCCC2(F)F)CN(C(=O)CSc2n[nH]c(=N)s2)CCO1 |
Cc1ncnc(N2[C@H]3CC[C@H]2CC(NC(=O)[C@@]2(C)C[C@@]2(F)Cl)C3)c1F |
COC(=O)CC(F)(F)CC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cnn(C)c2C)C1 |
C[C@H]1C[C@@H](NC(=O)C=Cc2ccc(C#N)cc2)CCN1C(=O)c1csc(S)n1 |
CC[C@H](C(=O)OC)C(=O)N1CC(NC(=O)Cc2sc(N3CCOCC3)nc2C)C1 |
COC(=O)c1ccccc1CC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)C[C@H]1C |
COCCC(C)(C)CC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2cccc(CCO)c2)C1 |
C[C@H](c1cc(F)c(F)c(F)c1)N1C(=O)N[C@H](c2ccsc2)C1=O |
Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3C(=O)c3cc(C(C)C)no3)C2)c(C)o1 |
CC(=O)N1CCCC[C@@H]1CC(=O)N1CCC[C@H]1CCNC(=O)Cc1cnns1 |
O=C(CN1CCC[C@@H]1[C@H]1CCCN1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 |
COCC(=O)N(C)CC(=O)N(CCNC(=O)c1cccc(N)n1)C[C@@H](C)O |
Cc1ccc(F)c(C(=O)N[C@@H]2CN(C(=O)[C@H](O)c3cnn(C)c3)CC[C@@H]2C)c1 |
Cc1nocc1NC(=O)[C@@H]1CSCCN1C(=O)Cc1nonc1C |
Cc1nc(-c2ncccn2)sc1C(=O)NC[C@@]12C[C@@H]1CN(C(=O)C(=O)N(C)C)C2 |
CCC1=NO[C@@H](CC(=O)NCCCN(CC)C(=O)[C@H]2CCOCC23CCCC3)C1 |
C=CCC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cnc3c(c2)CCOC3)[C@@H](C)C1 |
CSCC[C@H](O)C(=O)N[C@]1(C(=O)NC[C@@H]2CCCO2)CCc2cc(Br)ccc2C1 |
C[C@@H](O)C(=O)N1C[C@@H](NC(=O)c2nc3ncc(Br)cc3[nH]2)[C@H](C)C1 |
C=CCOCCN=C(NC[C@@H]1CCCc2sc(C)nc21)N(C)C[C@H](OC)C1CC1 |
CC1(C)[C@H](C(=O)NC[C@H]2CCN(C(=O)C(C)(C)S(C)(=O)=O)C2)[C@H]1c1ccccc1 |
CCC[C@H](CC)CC(=O)N1CCC[C@@H]1C1(NC(=O)[C@H](C)N2CCC[C@H](O)C2)CC1 |
COCCC(=O)NCC=C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)N2C)CC1 |
Nc1cncnc1C(=O)N1C[C@@H](C(=O)N2CC[C@H](CCCO)C2)C(F)(F)C1 |
C[C@H]1C[C@H](C(=O)Nc2cncc([N+](=O)[O-])c2)CN(C(=O)Cc2ccccc2F)C1 |
C#C[C@@](C)(NC(=O)Nc1ccc2oc(CC)nc2c1)C1CC(F)(F)C1 |
C=C(C)CNC(=O)[C@@H](CCCC)N(C)Cc1c(C)nc2sc(C)cn12 |
COC[C@@]1(NC(=O)[C@@H]2C=CCC2)CCN(C(=O)CCCn2cccn2)C1 |
COc1cnc(C(=O)NCC2=NO[C@@H]3CN(C(=O)c4sccc4C#N)C[C@H]23)nc1 |
Cc1cccc(CC(=O)N2CC3(CCCN3C(=O)c3scc(C)c3Cl)C2)c1 |
C[C@@H]1CN(C(=O)C(C)(C)[C@@H]2CCCCO2)C[C@@H]1CNC(=O)[C@@H](C)S(N)(=O)=O |
C#Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cc(C(C)C)n(C)n3)[C@H]2C)o1 |
COC(=O)[C@H]1C=CCCN1[C@H](C(=O)NCC(C)C)c1ccc(F)c(OC)c1 |
CC[C@H]1CCN(C(=O)c2cccc(Cl)c2)[C@H]1C(=O)NC1(CCF)CC(O)C1 |
CC[C@H](O)[C@@H](C)C(=O)NCC1=CCN(C(=O)[C@H]2C[C@H]2C(=O)NCCO)CC1 |
Cc1cc(C)c(F)c(-c2c[nH]c3ncc(C(=O)N4CCn5cnnc5C4)cc23)c1 |
C=CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NC(=O)C[C@@H]1OCCOC1(C)C)C2 |
O=[N+]([O-])c1cc(CN2CC3(C2)CN(S(=O)(=O)c2ccc(F)cc2Cl)C3)ccc1F |
O=C(N[C@@H]1CCCC12CN(c1nnc(O)s1)C2)[C@@H]1CC12CC2 |
CC[C@H](O)C(=O)NCCCCNC(=O)[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 |
O=C(Nc1cc(Cl)cc(Cl)c1O)[C@@H]1CC[C@@H](NCc2cc3c(cc2Br)OCO3)C1 |
Cc1cc(C)nc(N2C[C@H]3[C@H](CNC(=O)[C@@H](F)C(F)(F)F)[C@H]3C2)n1 |
COc1ccc(C(F)(F)C(=O)N[C@@H]2C=C[C@H](CNC(=O)[C@H]3CCNC3=O)C2)cc1 |
CC[C@H](CN(C)C)NC(=O)[C@H](C1CC1)N(C)C(=O)c1ncccc1F |
CC(C)[C@]1(C(=O)NC[C@]2(O)CCN(C)C2)CCCN1C(=O)CN1CC=CC1 |
COCC[C@H](CO)NC(=O)[C@H]1CCN(C(=O)[C@H]2C=C(C)CS2)CCO1 |
CCC[C@H](NC(=O)c1cccc(CO)c1)[C@H](O)C(=O)N1CC(F)(F)C[C@@H]1CO |
O=C(NCCC1CN(C(=O)COCC(F)F)C1)[C@H](O)c1cc(F)c(F)c(F)c1 |
CCC(CC)C(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CCC(C)(C)O |
CSC1(CNC(=O)C[C@H](O)CNC(=O)c2c(C)nn(C)c2N)CCC1 |
CN(CCOCCCNC(=O)/C=C/CN1CCOCC1)C(=O)[C@H]1CCCN1N=O |
CN(C[C@H]1COCCN1C(=O)c1coc(C#N)c1)C(=O)c1cc2cccnc2o1 |
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