smiles stringlengths 6 131 |
|---|
Cc1ncc([C@H](C(=O)NCCCOCC2CC2)N(C)C[C@@H]2CN(C)CCO2)s1 |
C=CCOCC(=O)NCC[C@@H]1CN(C(=O)[C@H](CCN(C)C)N(C)C)C[C@H]1C |
CN(NC(=O)OCc1ccccc1)C(=O)[C@H](O)CCC(C)(C)N |
CC[C@@H]1C[C@@H](CC(=O)NCCC2(O)CN(c3cc(Cl)c(O)nn3)C2)CCO1 |
COc1ccnc(C(=O)N2CC[C@H](NC(=O)COc3cc(C)ccc3C)C2)c1 |
O=C(O)c1csc([C@H]2CN(S(=O)(=O)c3ccc(F)c4cnccc34)CCO2)n1 |
CC[C@@](C)(O)C(=O)N1CCC12CN(C(=O)c1cnc(OC)c(C(F)(F)F)c1)C2 |
C#CCCN(C)C(=O)[C@@H]1COC2(C1)CN(C(=O)C1CC(C#N)(OC)C1)C2 |
Cc1nscc1C(=O)N1CCC(O)([C@H](C)NC(=O)[C@@H](C)N(C)CC(F)(F)F)CC1 |
COc1ccc(Cl)c(C(=O)NCc2cc3n(n2)CCN(C(=O)[C@H](O)CF)C3)n1 |
C[C@@H]1CCn2ncc(C(=O)N3CC=C[C@H](NC(=O)c4cnc(C5CC5)[nH]4)C3)c2C1 |
C=C[C@H](COC)NC1(c2nnnn2-c2c(C)cccc2C)CC(OC(C)C)C1 |
CC(C)(C)C[C@H](O)CC(=O)N1CCC[C@H]1C(=O)NOCC=CCl |
CC(C)(C)OC(=O)N1CC[C@H](N=c2[nH]nc3cccnn23)[C@@H](CO)C1 |
Cc1c(Br)cnc(O)c1CNC(=O)C[C@H](C)[C@H](C)C(C)C |
CCC[C@@H](CC(C)C)C(=O)N[C@H]1C[C@](C)(NC(=O)COCc2nnc(S)n2C)C1 |
CO[C@@H](C)CC(=O)NC[C@H](F)C1CCN(C(=O)Cc2cnc[nH]2)CC1 |
C[C@H](CC(=O)NCCC1(CNC(=O)C2(N3CCOCC3)CCCC2)CC1)C(F)F |
CC/C(C)=C/C(=O)N1CC2(CCC2)C[C@@H]1CNC(=O)CCn1cccn1 |
CC[C@@]1(C(C)C)C[C@H]1C(=O)NCc1cccnc1CNC(=O)C1=CC(C)(C)C1 |
CSc1nc(N2CCN(C(=O)c3cc4c(Cl)nccc4o3)C[C@@H](O)C2)ncc1C |
COc1ccc(CC(=O)N(C)CC[C@@H](C)NC(=O)C[C@@H](C)N(C)C)cc1 |
CN(C(=O)/C=C/c1ccccc1)[C@H]1CCN(C(=O)c2nc[nH]c2C(F)(F)F)C1 |
CC(C)[C@@H](C(=O)N1CC=C[C@@H](NC(=O)CCSc2ccc(F)c(F)c2)C1)N(C)C |
Cc1nc(C2CC2)[nH]c1C(=O)N[C@@H]1CC[C@H]1NC(=O)[C@H](C)OCC1CC1 |
C[C@H](CC(F)(F)F)C(=O)NCCCCCCN(C)C(=O)C1=CCOC1 |
COCCOCCCC(=O)NC1(CNC(=O)C(C)=CC2CC2)CCOCC1 |
COCCCNS(=O)(=O)c1cnc(N(C)Cc2nc3ccccc3n2C)cc1C |
C=CC[C@@H](CNC(=O)c1nnsc1C)NC(=O)[C@H](C)Cc1ccccc1F |
CCn1cnc(CNC(=O)c2cc(CNC(=O)c3ncsc3NC)nn2C)n1 |
CCCCCCN(CCNC(=O)CC=C(C)C)C(=O)c1nn(C)c(C)c1Cl |
CCc1ncccc1C(=O)N1CCn2ncc(CNC(=O)[C@@]3(F)CCOC3)c2C1 |
CC[S@](=O)CC(=O)N1CCN2CCOC[C@]2(CNC(=O)c2cc(CO)[nH]n2)C1 |
Cc1cn2cccc(C(=O)N3[C@H]4CC[C@@H]3C[C@@H](CNC(=O)C=CC3CC3)C4)c2n1 |
CCN1C[C@@H](COC(=O)c2csnc2C(F)F)OC1=O |
CN(CC(=O)NC1([C@H]2CCCN2C(=O)CCc2ccccn2)CC1)C1CC1 |
CC(C)=C(C)C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 |
Cc1cccc(/C=C/C(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@H](CCCO)C2)c1 |
COCCC(=O)N[C@]1(CNC(=O)COc2ccsn2)C[C@H]2CC[C@H]1C2 |
CCOCc1cc(C(=O)N2CC3(C2)CN(C(=O)[C@@H]2CCO[C@H]2C)C3)ccc1OC |
CC(C)(O)c1cn(C[C@H](F)C2CN(C(=O)[C@@H]3C4C[C@@H]5C3[C@@H]5C4)C2)nn1 |
C#CCN(CC#CC)C(=O)[C@@H](CC1CCOCC1)NC(=O)c1cn[nH]c1 |
Cc1oc(Cl)nc1C(=O)N[C@H](Cc1cc[nH]n1)C(=O)N1CC[C@@H]1CC1CCCC1 |
CNC(=O)NCC(=O)N[C@@H]1C[C@@H]2C[C@H]1N(C(=O)[C@@H](CN(C)C)c1ccccc1)C2 |
Cc1cccc(C(=O)N2C[C@H]3C[C@H](O)[C@@H]2[C@@H]3NC(=O)c2nn(C)cc2N)c1Br |
C#CC[C@H](C(=O)NC[C@H](C)CN(C)C(=O)COc1ccccc1OCC)C1CC1 |
C[C@H]1CN(C(=O)c2nccc3[nH]ccc23)CC[C@@H]1NC(=O)CN1CSCC1=O |
CC(C)C[C@@H](NC(=O)COC[C@@H]1CCCO1)C(=O)NCC(=O)N1CCCC1 |
CCO[C@H](C)CCC(=O)N1CC[C@H](NC(=O)c2cc(C)c(C)[nH]2)C1(C)C |
COCc1cc(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)c3ccc4c[nH]nc4c3)C2)no1 |
C=C(Cl)CCCNC(=O)C[C@H](CC(C)C)NC(=O)C1(F)CCCCCC1 |
CC(C(=O)NCc1cc(C(=O)N[C@H]2C[C@@H]2c2ccco2)ccn1)=C1CC1 |
CCC[C@H](C)NC(=O)[C@@H]1CCCN1Cc1cccc(C(F)(F)F)c1 |
O=C(Cc1cc[nH]c1)N[C@@H]1CN(C(=O)[C@H]2C[C@H]3O[C@@H]2[C@@H]2C[C@H]32)CC12CC2 |
C[C@H](NC(=O)c1cc2occc2[nH]1)C(=O)NCC1(C)CCCC1 |
COCC1(C(=O)N[C@H](C)C2CN(C(=O)c3nonc3N)C2)CC=CC1 |
COCCCCC(=O)NC(C)(C)[C@@H]1CCN(C(=O)C(F)(F)c2ccnn2C)C1 |
C=C1C[C@@H](C(=O)N[C@@H]2CCc3n[nH]cc3C2)N(Cc2c(C)cccc2O)C1 |
Nc1c(Cl)cccc1C(=O)NC[C@@H](NC(=O)C[C@@H]1CCCC2(CCC2)O1)C1CC1 |
C[C@@H](CC1CCN(C(=O)c2ccccc2P(C)(C)=O)CC1)NC(=O)CNC(N)=O |
C=C[C@H](CO)NC(=O)CCC1CCN(C(=O)COCC(C)C)CC1 |
COCc1cc[nH]c1C(=O)N(C)C1CC(C(=O)NCc2ccc(O)nn2)C1 |
CCOc1cccc(NC(=O)[C@@H](C)[C@H](C)NC(=O)c2cn(CC)nc2C)c1 |
O=C(N=c1nc(-c2ncccc2Cl)[nH]s1)NC[C@H]1C[C@H](C(F)(F)F)CO1 |
CCCC1(C(=O)N[C@H](CO)CNC(=O)C=Cc2scnc2C)CC1 |
C[C@@H]1CN(C(=O)CCC2(C)CC2)C[C@H]1CNC(=O)c1nccc2ccsc12 |
COC(=O)c1c(F)cc(NC(=O)[C@H]2C[C@@H](NCc3cnn(C)c3Cl)C2)cc1F |
CCC1=C(C(=O)N[C@@]2(CNC(=O)C3(C(N)=O)CC3)CC3CCC2CC3)SCCO1 |
C=CCOC(=O)NCC(=O)N1C[C@]23CCC[C@@]2(C1)CN(C(=O)[C@H](OC)C1CC1)C3 |
CC(C)(C(=O)N[C@H](CNC(=O)[C@](C)(O)CC(F)F)C1CC1)N1CCCCC1 |
CN(C)c1cnc(C(=O)N(C)[C@@H]2CN(C(=O)C3CC(F)C3)CC[C@H]2O)nc1 |
O=C(N[C@@H](C(=O)NCC[C@H]1C[C@@H]1C1CC1)C1(O)CCC1)c1cc2n(n1)CCC2 |
CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)Cc2cccc(N)n2)c1 |
C[C@@H](OC[C@H]1CCCO1)C(=O)NCC12CC(NC(=O)C3=CCC(C)(C)CC3)(C1)C2 |
O=C(NC1([C@@H]2CCN(C(=O)CCc3cncs3)C2)CC1)C1=CCCOC1 |
Cc1ccc(C(=O)N2CCN(Cc3c(Br)cnn3C)C[C@@H]2C(F)(F)F)c(O)n1 |
COc1ccc(OC)c(C(=O)NC2(CCNC(=O)CCn3ccnc3)CCC2)n1 |
CC(=O)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccccc2)C[C@H]1C |
C[C@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2c3ccccc3nn2C)C1 |
CCc1nc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)cs1 |
CCC1(N(C)C(=O)[C@H]2COCC[C@H]2NC(=O)CNC(=O)NC)CC1 |
C=CCC(F)(F)C(=O)N[C@H]1CCN(C(=O)C2(OC)CCCCC2)C[C@H]1O |
CC1(C)C[C@H]1CC(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)o2)C[C@@H]1F |
CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C)N(C(=O)c2cccc(Cl)c2Cl)C1 |
Cc1cc(C)cc(C(=O)NCC(=O)NC[C@@H](C)C(=O)N2CC[C@@](F)(C(N)=O)C2)c1 |
Cc1nc(SCC(=O)N2CC=C[C@@H](NC(=O)[C@@H]3C[C@@H]4CCCN4C(=O)N3)C2)n[nH]1 |
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCC(C)(C)NC(=O)[C@@H](F)C1CC1 |
C[C@@H]1C[C@@]2(C(=O)N3CC[C@](O)(CNC(=O)Cn4cc(C(F)(F)F)nn4)C3)C[C@@H]12 |
CCN1CC[C@@H]1CN=c1ccc(Br)c(S(=O)(=O)NC2C[C@@H]3[C@@H](C2)C3(F)F)[nH]1 |
CCOCCC(=O)N[C@H]1CN(C(=O)[C@H](c2cnn(C)c2)C(C)C)C[C@H]1OC |
CCOCCC(=O)NCC1(NC(=O)c2cc(Cl)c(N)cc2F)CCC(F)(F)CC1 |
C=C=C[C@H](C)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)c1ccc(F)cn1)C2 |
CC(C)[C@@H](O)CONC(=O)[C@H]1CC[C@H](CNC(=O)CC#N)CC1 |
C=CCCN=C(NCCc1cc(C(F)(F)F)ccn1)NCCN1CC[C@H](C)C1 |
C[C@H]1CN(c2nc(N(C)CCN(C)C)nc3cccc(F)c23)C[C@]1(C)CO |
CC1(C)CC[C@@H](C(=O)NC[C@]2(F)C[C@@H](NC(=O)C3CC(=C4CCC4)C3)C2)C1 |
CCC(=O)N[C@H](C)C(=O)N1CCC[C@H](NC(=O)[C@@H](C)Oc2cccc(F)c2)[C@@H]1C |
CCNC(=O)OC1CN(C(=O)[C@@H](CCOC)NC(=O)c2cccc3nccn23)C1 |
C#Cc1cccc(OCC(=O)N[C@H](C)CNC(=O)c2cnc(C(C)(C)C)[nH]2)c1 |
COC1(CCNC(=O)c2cccnc2S)CN(C(=O)c2cc(C)c(C)s2)C1 |
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