smiles stringlengths 6 131 |
|---|
Cc1nc(C(=O)NCCNC(=O)[C@@H]2CCCN(C(=O)C34CCC(C3)C4)C2)cn1C |
C#CC(C)(C)C(=O)N1CCO[C@](C)(CNC(=O)C2=CCOCC2)C1 |
CCOc1ccc(C(=O)N[C@@H](CC)CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)cc1 |
CO[C@@H]1C[C@@H](CNC(=O)[C@@H](O)CC2CCCCC2)N(C(=O)COCC2(F)CC2)C1 |
CCOC1(OCC)CC(C)(C(=O)N2CC[C@@H]2CNC(=O)c2cccc(C)n2)C1 |
C[C@H]1CC[C@H](CNC(=O)CCCC(F)F)N(C(=O)CSCCN(C)C)C1 |
Cc1cc(NC(=O)c2ncccc2Nc2ncc(F)cn2)c([N+](=O)[O-])cc1Br |
CN1C[C@H](N[C@@H](c2cnc[nH]2)c2nnnn2CC2CCOCC2)CCC1=O |
Cc1cc(C(=O)NC[C@@]2(CO)CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)ns1 |
CCC(CC)(CNC(=O)[C@@H]1Cc2nnsc2S1)NC(=O)[C@@]12C[C@@H](F)[C@@H]1C2 |
COC1CC2(CC(NC(=O)c3conc3CNC(=O)C[C@@H]3CCC(=O)N3)C2)C1 |
C[C@H]1CCCN1CC(=O)N(C)C[C@@H]1CCN(C(=O)c2coc3cc(O)ccc23)C1 |
C[C@@H](N=[N+]=[N-])C(=O)NC[C@H](CC1CCCC1)C(=O)N(CCF)C1CC1 |
CCC(CC)C(=O)NC1CCC2(CC1)CCN(C(=O)[C@@H](F)CC1CCCCC1)C2 |
CC(C)C[C@H](CNC(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C)CC(=O)O |
C=C(C)CCNC(=O)c1sccc1CNC(=O)C[C@H](CC)C(C)C |
CCC(C)(C)OCC(=O)N1CC[C@H]([C@H](C)NC(=O)C=Cc2ccc(=N)[nH]c2)C1 |
CCn1cc(Cl)cc1C(=O)N1CCN(C(=O)c2cc(C)cs2)[C@@H](CF)C1 |
CC1CC(C#N)(C(=O)NC[C@H]2CC[C@H](NC(=O)C[C@@H](CN(C)C)C(F)F)CC2)C1 |
CC[C@](C)(COC)C(=O)N1CC[C@@H](N(C)C(=O)c2ncncc2Cl)C1 |
CCn1ccc(C(=O)NCC2(O)CN(C(=O)c3cc(F)c(Cl)c(Cl)c3)C2)n1 |
Cc1cnc(C(=O)N[C@@H](C)CNC(=O)c2sccc2NC(=O)OC(C)(C)C)nc1 |
Cc1nc(N2CC3(CCN(C(=O)c4cccc5ccncc45)C3)C2)ccc1C#N |
CN(Cc1nnc(O)o1)C(=O)NC[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C |
C#CCOCCC(=O)N[C@H](C)CCCC(=O)N1[C@@H](C)C[C@H]1C(=O)OC |
C[C@@H]1CCN(C(=O)C#C[C@@H]2CCCCO2)C[C@@H]1NC(=O)C[C@H]1CN2CCN1CC2 |
CC[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1C[C@@H]1C1CN(C(=O)[C@@H](C)n2cncn2)C1 |
CC(C)Oc1cc(NC(=O)[C@@H]2C=C[C@@H](NC(=O)Cn3ccnn3)C2)[nH]n1 |
CCc1nc(Cl)c(F)c(=NC[C@@H](C)CNC(=O)[C@H](O)c2cccc(Cl)c2)[nH]1 |
CCN1CC[C@@H](N(CC)C(=O)CCCNC(=O)C2CCCCCC2)C1 |
CCN(CC)S(=O)(=O)CC(=O)NC[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C#N)C1 |
NC(=O)c1n[nH]cc1NC(=O)[C@H]1CC2(CC2)CN1Cc1ccc(Br)c2nsnc12 |
CCN(CCNC(=O)C[C@@H](C)OC)C(=O)C[C@@H]1C(=O)Nc2cc(Cl)ccc21 |
COCC1(C(=O)N2CC=C[C@H](C(=O)N3CCC4(CCCC4)C3)C2)CCC1 |
C=CC(C)(C)C(=O)NCC(C)(C)NC(=O)c1ccc(C)c(CO)c1 |
Cn1ccc2c(C(=O)N3C[C@H]4[C@@H](Nc5ncnc6c5CCC6)C[C@H]4C3)cccc21 |
COC(=O)[C@H](C)CC(=O)N1CC[C@@H](C)N(C(=O)C=C(C)Cl)CC1 |
O=C(c1occc1-c1ccc(F)c(F)c1)N1CCC[C@]2(CCCCN2)C1 |
COCCCNC(=O)[C@H](c1cc(C)c(Br)s1)N1CCOC[C@H]1CN(C)C |
COC(=O)NCC(=O)N(C)[C@H]1CC[C@@H](NC(=O)c2cnn3c2OCCC3)C1 |
C#C[C@@H]1CN(C(=O)c2cccs2)CCN1C(=O)[C@@H](C)N1CCOCC1 |
CC[C@](C)(CNC(=O)Cc1c[nH]c2cnc(Cl)cc12)NC(=O)[C@H]1CC1(C)C |
C[C@@H](CNC(=O)C[C@]1(C)CCCO1)NC(=O)[C@]12O[C@H]3[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@@H]1[C@@H]5[C@@H]3[C@@H]12 |
Cc1ncc(CNC(=O)C[C@H](NC(=O)c2cc(Cl)n[nH]2)C(F)(F)F)n1C |
O=C(/C=C/C(F)F)NCCCOCCNC(=O)CCc1cncnc1 |
CCCC=CC(=O)N1CCC2(CC1)CCN(C(=O)c1cc(=N)[nH]cc1Br)C2 |
CCc1ccccc1[C@@H](CNC(=O)c1nnc(S)n1C)NC(=O)C=CCO |
CSC[C@H](O)C(=O)N1CC(C)(NC(=O)c2nc(CCc3ccccc3)sc2C)C1 |
CCN(CC)CCC(=O)N1CC[C@H]2CN(C(=O)[C@H](F)OC(F)(F)F)[C@H](C)[C@H]21 |
Cc1ccc(C(=O)N[C@H](CC(=O)NCCn2ccnc2)C(F)(F)F)o1 |
Cc1cccc(C(=O)N2CCN(C(=O)Cc3cnn(C)c3C)C[C@@H]2CCO)c1 |
CC1=C(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H]2C[C@H]2F)OC=C1 |
CCCC[C@H](O)[C@H](C)C(=O)N[C@H](CC1CCC1)C(=O)NC[C@@]1(C)CCC(=O)N1C |
CC#CCNC(=O)[C@H]1CCN(C(=O)c2cc(C)cc(O)n2)[C@H]1C |
C[C@H]1CCN(CC(=O)N2CCN(C(=O)c3ccc[nH]3)[C@H](CC(F)F)C2)C1 |
CCOc1ccccc1C(=O)N1CC[C@H](CCNC(=O)c2nc(O)c(C)s2)C1 |
COC1(C(=O)NC[C@H]2CN(C(=O)C[C@]3(O)CCCOC3)C[C@H]2O)CCCCCC1 |
Cc1cc(C)c(C(=O)N2CC3CC2(C(=O)NCc2cccc(C)c2C)C3)o1 |
Cn1ccnc1CC(=O)N[C@@H]1CCN(C(=O)C(C2CC2)C2CC2)CCC1(F)F |
O=C(c1occc1CNC(=O)[C@]12CCC[C@@H]1C2(F)F)N1Cc2cccc(O)c2C1 |
CC[C@]1(CNC(=O)[C@H]2CC[C@H](C)CN2C(=O)C=C(C)C(C)(C)C)CCCO1 |
C[C@H](C(=O)N1CC(CNC(=O)[C@]2(C(F)F)CCCO2)C1)n1cc(Cl)cn1 |
CN(C)CC(C)(C)C(=O)N1C[C@@H]2C[C@H](NC(=O)[C@]34COC[C@H]3C4(F)F)C[C@@H](C2)C1 |
COc1ccc(CC(=O)NC[C@H](C)N(C)C(=O)[C@@H]2C[C@H]2C(C)C)c(C)c1 |
O=C(CO[C@H]1CCOC1)N1CCC[C@H]2[C@@H]1CCN2C(=O)c1ncn2c1COCC2 |
CC=C[C@@H](O)C(=O)NCC1=CCN(C(=O)[C@H](F)CC)CC1 |
CCCCCCCCCN(C)[C@@H](C(=O)NCCC1CC1)c1ccc(C)c(C)c1C |
CC1(C)CCC[C@@H]1CN[C@H](c1nnnn1Cc1cccs1)[C@@H]1CC2CCC1CC2 |
CC[C@H](C)/C=C/C(=O)N1CCN(C(=O)COCCCF)CC[C@H]1C |
CNc1cnccc1C(=O)NC1(C(=O)NCC(C)(C)n2cccn2)CC1 |
CO[C@@H](CNC(=O)C=Cc1ccnn1C)CC(=O)N(C)C[C@H](O)C1CC1 |
Cc1ccc(C(=O)N[C@@H]2C=C[C@H](CNC(=O)C[C@@H]3C[C@H]3C(F)(F)F)C2)cc1F |
CCC=CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C=O)[C@@H](CCC)C1 |
CC[C@H](C)[C@@H](O)C(=O)N1CCN(CC2(NC(=O)Cc3cccnc3Cl)CC2)CC1 |
CCn1nnnc1[C@@H](N[C@H]1C(=O)OC[C@H]1CO)c1nc2ccc(OC)cc2s1 |
CC(C)[C@@H](O)[C@@H](C)C(=O)N1CCN(C(=O)c2cnc(O)c3cccnc23)[C@@H](C)C1 |
C[C@H](CNC(=O)[C@@H]1C(F)(F)C12CC2)N(C)C(=O)C=Cc1ccc(N(C)C)cc1 |
C[C@H](/C=C/C(=O)NCCc1cc(O)ncn1)NC(=O)[C@H](C)C(C)(C)C |
COc1ccc(/C=C/C(=O)N[C@H](C)CNC(=O)CC[C@@H]2CCC(=O)NC2)cc1Cl |
C[C@@H]1C[C@H](NC(=O)NCCc2nc(=N)[nH]o2)CCN1C(=O)OC(C)(C)C |
O=C(c1[nH]ccc1C1CC1)N1CC[C@H]([C@H]2CCCN(C(=O)C3(O)CC3)C2)C1 |
CCN1CCC[C@@H]1CC(=O)N(CCCNC(=O)[C@H]1C[C@@H](N(C)C)C1)C1CC1 |
CCOCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(C)cc2O)CCC1(F)F |
CCC=CC(=O)NC[C@@](C)(O)C1CCN(C(=O)C=Cc2ccc(OC)cn2)CC1 |
NC(=O)CCC(=O)NC1CCC(NC(=O)C23C[C@@H]4CC(C[C@H](C4)C2)O3)CC1 |
C#C[C@]1(O)C[C@@H](C(=O)NC[C@H]2CCN2C(=O)c2cc(C)n(C(CC)CC)n2)C1 |
CC1(CNC(=O)C23CCOC(C)(C2)C3)CCN(C(=O)[C@H](O)C(F)(F)F)CC1 |
Cn1nnnc1SCC(=O)NCCCC(C)(C)NC(=O)c1cc(N)ccc1Cl |
CCO[C@@H](CN(CC)Cc1cccc(-c2ccncc2)c1)[C@H]1CCOC1 |
CN(CC(C)(C)C#N)C(=O)[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccoc1 |
N#CCc1ccccc1NC(=O)[C@@H]1C[C@H](O)CCN1C(=O)Cc1cccc(Br)c1 |
CC(C)=C(F)C(=O)NC1(CCC(=O)N[C@@H](C)c2cnc(C)s2)CCCC1 |
C=CCO[C@H](C)C(=O)NC1CCC2(CC1)CCN(C(=O)c1ncn(C)c1C)CC2 |
COc1cc(CNC(=O)[C@H]2C[C@@H]2NCc2ccc([N+](=O)[O-])cc2Br)ccc1F |
CCC(CC)N(C)S(=O)(=O)c1cnc(N[C@H]2CC3(CCC3)[C@H]2O)cc1C |
CCNC(=O)NC(C)(C)C(=O)N(CC)CCNC(=O)Cc1c[nH]nc1C |
COC(=O)[C@@H](Cc1ccccc1)ONC(=O)[C@@H]1CCN(C)C1 |
CC(=O)NC1CCN(C(=O)[C@]2(NC(=O)CS(C)(=O)=O)CCC(C)(C)C2)CC1 |
Cc1cc(C(=O)N[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C(C)C)nn1C(C)(C)C |
CN(CC[C@H](NC(=O)Cc1c[nH]c2ccncc12)C(C)(C)C)C(=O)CC[S@](C)=O |
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