smiles stringlengths 6 131 |
|---|
CC(C)[C@H](N=[N+]=[N-])C(=O)NCCn1cnc(C(=O)N2CCc3ncccc3C2)c1 |
CCCc1cc(C(=O)NC[C@@]2(C)CC[C@@H](NC(=O)c3c(C)nn(C)c3F)C2)n[nH]1 |
C[C@H]1CN(C(=O)c2cc3n(n2)CCNC3=O)CC[C@@H]1CNC(=O)Cn1cnnc1 |
CC(=O)Nc1cnn(C2CN(Cc3ccc(Oc4ccccc4)cc3)C2)c1 |
Cc1cc(NC(=O)/C=C/[C@H](C)NC(=O)c2ccsn2)cnc1O |
O=C(Cc1c[nH]c2cc(F)ccc12)NC[C@H](O)CNC(=O)c1[nH]nnc1C1CC1 |
Cc1ccc2[nH]c(C(=O)N[C@@]34CCC[C@H]3CN(C(=O)c3n[nH]cc3Cl)C4)cc2c1 |
CC[C@@H]1OCC[C@H]1C(=O)N(C)CCCCN(C)C(=O)C1=CCS(=O)(=O)C1 |
C#Cc1ccnc(C(=O)N[C@@H]2C[C@H]3[C@@H]2CCN3C(=O)[C@H]2CCC(=O)C2)c1 |
CC(=CC(=O)N1CCN(C(=O)[C@@H]2Cc3ccccc3S2)[C@H](CO)C1)c1ccco1 |
CCn1ccc(C(=O)N2CC[C@H](N(CCO)C(=O)CN3CC(C)C3)C2)c1C |
CCc1nc(C(=O)N2C[C@@H](F)C[C@H](NC(=O)C3(CC)CCCCC3)C2)c(C)o1 |
CCOc1cccc(C(=O)N2CC(CNC(=O)[C@@H](O)C3CCCC3)(OC)C2)c1N |
Cc1ccc2nsnc2c1C(=O)N1C[C@@H]2C[C@H](C1)C2NC(=O)C[C@@H]1CC=CCC1 |
Cc1ccoc1CC(=O)N(CCNC(=O)CNC(=O)[C@@H]1C[C@H]1C)C1CC1 |
CCOCCOCC(=O)N[C@H]1CCC[C@H]1CNC(=O)CN1CCCCS1(=O)=O |
Cc1noc(Cl)c1CCC(=O)NC[C@]1(C)CCN(C(=O)[C@@H]2CC[C@H]2C(F)(F)F)C1 |
Cc1occc1C(=O)N1CC[C@H](CN(C)C(=O)[C@]2(C)CCCc3ccccc32)C1 |
CC(C)C[C@H]1CCN(C(=O)C2=NO[C@H](CNC(=O)c3coc(N(C)C)n3)C2)C1 |
CO[C@@H](CNC(=O)Cc1c[nH]c2ccc(C)cc12)CNC(=O)c1cccnc1O |
Cc1nnsc1C(=O)N1C[C@@H](NC(=O)[C@](C)(F)CC2CCCC2)[C@H](C)C1 |
CC[C@](C)(O)C(=O)NCCCOCCC(=O)NCCOCC(N)=O |
Cc1cc(=NCCCNC(=O)C23CCCC2CCC3)[nH]c(C)c1C#N |
Cc1cc(=O)oc(C)c1C(=O)N[C@H]1C[C@](C)(NC(=O)c2ncn(C(C)C)n2)C1 |
CN=c1[nH]cc(C(=O)N[C@H]2C=CCC[C@H]2C(=O)NC2[C@@H](C)CC[C@@H]2C)s1 |
COC(C)(C)CCNC(=O)C(C)(C)CCCNC(=O)COc1ccsc1 |
O=C1CSc2ncc(C(=O)N3CC[C@](CF)(NC(=O)c4c[nH]nc4F)C3)cc2N1 |
C#CC1(C(=O)N2CCC3(CCC3)[C@H](NC(=O)Cn3c([N+](=O)[O-])cnc3C)C2)CC1 |
CCC(=CC(=O)N(C)CCNC(=O)[C@@H](C)C1CC1)c1cccc(Cl)c1 |
CC(C)c1nn(C)cc1C(=O)NCC(C)(C)[C@H]1CCCN1C(=O)CC[S@@](C)=O |
Cc1ccc([C@@H](C)c2noc(C3(C4CC4)CCC3)n2)cc1 |
Cc1cc(CN2CC[C@H]3CN(S(=O)(=O)c4cc(Cl)ccc4F)C[C@H]3C2)n[nH]1 |
COc1ccccc1NC(=O)[C@H]([C@H]1[C@H]2COCC[C@@H]21)N1CCC(F)(CF)CC1 |
CCN(CCNC(=O)c1c(O)cc(=O)n2c1CCCC2)C(=O)[C@H]1C[C@@H](F)C1 |
COC1=CC=C(NC(=O)C2(C)CC(C)=NO2)C(S(C)(=O)=O)=C1 |
CN1CCC(NC(=O)[C@H]2CC[C@@H](n3cc(COCc4ccccc4)nn3)C2)CC1 |
CC[C@@](C)(COC)C(=O)N1C[C@H]2CC[C@H]1CN2C(=O)[C@]1(CF)CC1(F)F |
CON1CCC(CC(=O)NC[C@@H](CO)NC(=O)c2ccn(C(C)C)c(=O)c2)CC1 |
CCCCSCC(=O)N1C[C@@H]2CC[C@]2(CNC(=O)Cc2cc(O)nc(O)n2)C1 |
CCC(F)(F)CC(=O)N1C[C@H](F)[C@H](NC(=O)c2cc3ccc(F)cc3[nH]2)C1 |
O=C(c1cn2ncccc2n1)N1C[C@H]2CCC[C@@H](C1)C2C(=O)N1C[C@H]2CC[C@H]1C2 |
Cn1ncc(C(=O)NCCC[C@H](O)C(=O)NCCN2CCCCC2=O)n1 |
Cc1nc(C(=O)N2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)[C@H](CO)C2)n(C)n1 |
C[C@H](NC(=O)CC1CSC1)C(C)(C)C(=O)N1CCC[C@](C)(N(C)C)C1 |
COc1ccc(C(=O)N[C@H]2C[C@@H]2NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)s1 |
Cc1c(NCCn2ccc(=O)cc2)nc[nH]c1=NC[C@@H](C1CC1)N(C)C |
COc1ccc(F)c(C(=O)N2CC=C[C@@H](NC(=O)[C@H](C)C(C)(C)C)C2)c1 |
COC(C)(C)CC(=O)NC[C@]12CC[C@H]1CCN2C(=O)C1CC=CC1 |
Cc1nc(O)sc1C(=O)N1CC[C@@](CF)(C(=O)N(C)C[C@H](O)C2CC2)C1 |
Cc1coc(C(=O)N[C@H]2C[C@H](CNC(=O)Cc3n[nH]c4ccccc34)C2)c1 |
COCC(=O)N(C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[C@H]2C2CC2)[C@H](C(F)F)C1 |
C[C@H]1CCCN1CC(=O)NCCN(C(=O)c1ccc(N)c(F)c1Br)C1CC1 |
C=CCC(=O)N1CC[C@@H](N(C)C(=O)c2cnn(C(C)C)c2F)C1 |
O=C1C[C@]2(C(=O)N3CCOC[C@H]3c3cccc(Cl)c3)CCC[C@H]12 |
O=C(N[C@@H]1[C@H]2CCN(C(=O)C=CC3CCC3)[C@H]21)c1cc(C2CCC2)[nH]n1 |
Cc1nccn1CC(=O)N1CC[C@]2(C(=O)Nc3nc4cc(Br)ccc4s3)C[C@H]2C1 |
COCCC[C@@H](NC(=O)C(F)F)C(=O)NC[C@@H]1CCOC1 |
CN(C)[C@H]1CCN(C(=O)[C@H]2CN(C(=O)c3ccccc3)C(C)(C)C2)C1 |
C#CC[C@](C)(CC)C(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)C2CCSCC2)C1 |
CC(C)c1conc1CC(=O)N1CCC[C@@H]1CNC(=O)c1cnc2c(c1)CCC2 |
CCSCC(=O)N1CC[C@H](CNC(=O)Cc2ccc(OC(C)C)cc2)C1 |
CC[C@@H](CNC(=O)[C@H](C)OCOC)NC(=O)[C@@H](C)N1Cc2ccccc2C1=O |
C=CC[C@@H](NC(C)=O)C(=O)N1CCC[C@H](CC(=O)NC2(CC=C)CC=CC2)CC1 |
Cn1ccnc1C(=O)N1CCN(C2CN(C(=O)C34C5C6C7C5C3C7C64)C2)CC1 |
CO[C@H](CNC(=O)CCCc1ccc2c(c1)CC(=O)N2)CC(C)C |
CC(C)N(C)Cc1cn([C@@H](C(=O)N[C@H]2CCCc3nc[nH]c32)C(C)(C)C)nn1 |
C[C@@H](CCC(C)(C)C)NC(=O)c1ccnc(CNC(=O)CO[C@H]2CCCOC2)c1 |
COc1oc(C)nc1C(=O)N1CCN(C)[C@@H](c2cn(C(C)C)nn2)C1 |
C[C@H](CC(=O)N[C@]1(C(=O)N[C@@H]2CC23CCCCC3)C[C@H](O)C1)C(F)F |
Cc1nscc1/C=C/C(=O)NCC[C@H](C)N(C)C(=O)c1ccc(C2CC2)s1 |
CCc1nn[nH]c1C(=O)N1CC[C@@H]([C@H](F)C(=O)N2C[C@H]3C[C@H]3[C@H]2C(=O)OC)C1 |
CC(=O)N(C)[C@H](C)C(=O)N[C@H]1CCN(C(=O)c2cc(O)cc(Cl)c2Cl)C1(C)C |
O=C(NC[C@H]1C=CCN1C(=O)c1cccnn1)c1cnc(C2CC2)o1 |
O=C(c1cc(C2CC2)no1)N1CC[C@H]([C@@H]2CCN(C(=O)c3cccc[n+]3[O-])C2)C1 |
Cc1oncc1C(=O)N1CC(O)(CN(C)C(=O)C2(CC(F)F)CCC2)C1 |
O=C(NCc1cccnc1Br)c1cncc(NC(=O)c2cc(O)ccc2F)c1 |
CC(C)[C@H](NC(=O)c1ccc(C#N)s1)C(=O)N[C@H](CO)CN1CCCC1 |
Cc1cccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(Br)c(C#N)c3)C2)c1 |
C[C@H](Cc1ccco1)C(=O)NC12CC(NC(=O)c3ccnc(F)c3F)(C1)C2 |
COCCn1nnnc1[C@H](Nc1ccc([S@@](=O)C(F)F)cc1)c1ccsc1 |
O=C(Cn1cccn1)NC[C@@]12CCCN(C(=O)CN3C(=O)CCC3=O)[C@H]1C2 |
C[C@@H](NC(=O)CCCCc1ccc(F)cc1)[C@@H](CO)NC(=O)C1CN(C)C1 |
COc1nscc1C(=O)NCCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1CF |
COCc1nc(C)cc(=NCCC(C)(C)NC(=O)c2ccc(C(N)=O)cn2)[nH]1 |
Fc1cccc(-c2noc([C@H]3CCCN(CCI)C3)n2)c1 |
CCOC[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)N(CC)CC |
Cc1ncc(CCC(=O)N2CCC[C@@H]2C(C)(C)CNC(=O)[C@@H](C)c2ccsc2)o1 |
CCC(=O)NCC(=O)NC[C@@]1(C)CCN(C(=O)C(C)(C)n2ccc(C)n2)C1 |
Cc1nc[nH]c1CC(=O)N1CCC([C@@H](CO)NC(=O)CC2CC3(CC3)C2)CC1 |
COCCC(=O)N(C)C[C@]1(O)CCN(C(=O)C[C@]23CCC[C@H]2C3)C1 |
CCc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3cc(O)n[nH]3)C[C@@H](F)C2)cc1 |
Cc1c(Br)cc(C(=O)N2[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C)O4)C[C@H]32)cc1Br |
C[C@@H]1OCC[C@H]1CNC(=O)c1ccnc(CNC(=O)CC2CC(F)(F)C2)c1 |
C[C@H](NCC1C(C)(C)C1(C)C)c1ccc(S(=O)(=O)C(F)F)cc1 |
CCC[C@H](CC(=O)NC1(CC)CCCCCC1)NC(=O)[C@@H](C)N1CCOCC1 |
CCc1cc(CC(=O)N2CC[C@]3(C[C@@H](NC(=O)C4(S(C)(=O)=O)CC4)CO3)C2)on1 |
Cc1csc(=NCC(=O)N2C[C@@H](CNC(=O)C=Cc3cn[nH]c3)CC23CCC3)[nH]1 |
CC(C)C[C@](C)(O)C(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1ccc(OCC(N)=O)cc1 |
O=C(COC1CCCCC1)N[C@@H]1C[C@H]1NC(=O)[C@H]1COc2ccc(F)cc21 |
CC(C)(C)OC(=O)NCCCNC(=O)[C@@H](c1cscc1Cl)N1CCOCC1 |
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