smiles stringlengths 6 131 |
|---|
Cc1csc(=NCC(=O)N[C@@H]2CCN(C(=O)[C@@]34CCC[C@@H]3C4)CC23CCC3)[nH]1 |
C=C[C@H](CC)CC(=O)N1CCc2ccccc2[C@H](NC(=O)c2nc(C)oc2C)C1 |
CC[C@@H]1CN(CCN=C(NCCS(=O)(=O)N2CCSCC2)NCC2CC2)CCO1 |
C[C@@H](Sc1ccccn1)C(=O)NC12CC(NC(=O)c3cc(Br)cc(F)c3O)(C1)C2 |
C#Cc1ccc(C)c(NC(=O)N2C[C@@H]3CS(=O)(=O)C[C@]3(C)C2)c1 |
C[C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3ccn(C)n3)CC(C)(C)C2)CCS1 |
CSc1cccc(C(=O)NC2CC(NC(=O)c3cc(C)cc4c3CCC4)C2)c1 |
Cc1ccc(CN(C)CC(=O)N[C@H](CCNC(=O)CS(N)(=O)=O)C(C)C)cc1 |
CCN(CCNC(=O)c1c(OC)noc1C)C(=O)c1cc(Br)c(F)cc1F |
C[C@@H](CNC(=O)c1ccnc(F)c1)CN(C)C(=O)c1ncccc1N |
Cc1nc(C(=O)N2C[C@@H]3CC[C@]3(NC(=O)CS(N)(=O)=O)C2)c(C)n1C |
CC[C@H](C)CCC(=O)N1CC(C)(C)OC[C@H]1CNC(=O)C1=COCCC1 |
CNC(=O)Nc1ccc(Cl)c(C(=O)NC/C=C/CNC(=O)C2(F)CCCCC2)c1 |
COCCN(C)CC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)C(=O)c1ccc(F)c(C)c1 |
CC1CN([C@@H](C)C(=O)NC[C@H]2CC[C@H]2C(=O)N2CCC(F)(F)[C@H](F)C2)C1 |
CC(C)[C@@H](CN(C)C)NC(=O)[C@H]1CCCN1C(=O)c1cncn(C)c1=O |
CN(C)CC[C@H](O)C(=O)N1CCC(CNC(=O)c2cccc(F)c2F)CC1 |
CC(C)[C@](C)(O)C(=O)N[C@H]1CCC[C@H]1CN(C)C(=O)C[C@H]1C=CCC1 |
C[C@@H]1C(=O)CC[C@H]1CC(=O)N[C@H](CNC(=O)c1cncn1C)Cc1ccccc1 |
Cc1nnnn1CC(=O)NC/C=C/C(=O)N1CC[C@](F)(CF)C1 |
CS[C@@H](C)CCC(=O)NC[C@@]12COCCN1C(=O)CN(C(=O)CC(C)(C)O)C2 |
CCN1CC[C@@H](C(=O)N2CC(COC)(NC(=O)C3=NN(CC)C(=O)CC3)C2)C1 |
CCCc1nnsc1C(=O)NC[C@@]1(NC(=O)C=COCC)CCCC[C@H]1C |
C[C@@H](CNC(=O)c1c[nH]c2ccncc2c1=O)N(C)C(=O)Cc1cc[nH]n1 |
CN(C(=O)c1ccc(F)cc1F)[C@H]1CCCN(C(=O)[C@H]2CCCn3ccnc32)C1 |
COC(=O)CC(=O)NCc1ccc(C(=O)N(C(C)C)C2CC2)cc1 |
Nc1ccc(CCC(=O)N2CC[C@]3(CO[C@H](CNC(=O)/C(Cl)=C/Cl)C3)C2)cc1F |
CCC[C@H](O)C(=O)N[C@H](CNC(=O)CNC(=O)c1cccs1)c1ccccc1 |
COc1cc2c(cc1OC)CN(C(=O)NCc1ccc(OC)c(OC)c1F)CC2 |
CSC[C@H](O)C(=O)N[C@@H](CNC(=O)C1CN(C(N)=O)C1)C1CCCCC1 |
CC1CC(NC(=O)[C@H]2C[C@@H]3C[C@@H]3N2C(=O)c2cccc3cc[nH]c23)C1 |
CN(Cc1cn(-c2ccc(Br)c(Cl)c2)nn1)C[C@@H]1CCCS1 |
O=C(N[C@@H]1CN(c2ncnc3c(F)cccc23)C[C@H]1F)c1ccc(F)cc1Br |
Cc1c[nH]nc1-c1cn(CC(=O)NNC(=O)CN(C)C)nn1 |
CC1(C)C[C@H]1CC(=O)N1CC[C@H]1C(=O)NC[C@H]1C[C@@H]1[N+](=O)[O-] |
Cc1cnc(Br)c(CNC(=O)N2CCC[C@@H](N3CCCC3)C2)c1 |
CCc1onc(C)c1CNC(=O)[C@@H](C)[C@H](C)NC(=O)CCC(CF)CF |
CCn1c(O)nc2cc(C(=O)N[C@]34C[C@H]3CN(C(=O)C(=O)NC(C)C)C4)ccc21 |
CO[C@](C)(CC1CCC1)C(=O)N[C@H]1C[C@@H](NC(=O)C2=C(Cl)CCC2)C1 |
C=C1C[C@@H]1C(=O)NC12CC(NC(=O)c3cnn(-c4ccc(Cl)c(Cl)c4)c3)(C1)C2 |
CC(C)C[C@H](CNC(=O)Cc1c[nH]nc1O)NC(=O)C[C@H]1C=CCCC1 |
C#C[C@@H](C[C@@H]1CCCO1)NC(=O)C12CC(CO)(CN1C(=O)c1csc(C)c1C)C2 |
Cc1nn(C)c(Cl)c1CC(=O)N[C@@H]1CCN(C(=O)C2C[C@@H]3C[C@H]3C2)C12CCC2 |
O=C(N[C@]1(C(=O)N2CCS(=O)(=O)CC2)CCSC1)C(Cl)Cl |
Cc1ccsc1CN1CC2(C[C@H]2C(=O)NC[C@H]2CCO2)C1 |
COC(=O)[C@H](C)NC(=O)[C@@H](c1cc(C(F)(F)F)cc(Br)n1)N1CCC[C@H](O)C1 |
Cn1nccc1C(=O)N[C@@H]1[C@H](CNC(=O)c2ccoc2C2CC2)CCC12CCC2 |
O=C(Nc1cccc(N2CCN(c3ncc4cn[nH]c4n3)CC2)c1)c1ccno1 |
O=C1CCC[C@H](CN2CCC(=O)N(CCc3cccc4[nH]ccc34)C2=O)N1 |
O=C(NCC(F)F)[C@H](c1cccc(C2CCC2)c1)N1CCCC(F)(F)C1 |
COc1cnccc1C(=O)N1CCN2C(=O)[C@@H](NC(=O)c3snnc3C)C[C@@H]2C1 |
CSc1nc(C)cc(N2CCOC3(CN(C(=O)[C@@H]4CCCCC4(F)F)C3)C2)n1 |
CCSC[C@H](NC(=O)[C@@H](C)OCCN(C)C)C(=O)NCc1ccns1 |
CCC(CC)[C@@H]1CN([C@@H](C(=O)NC(C)(C)C)c2ccc(C(F)F)cc2F)CCO1 |
CCOCC(=O)N[C@H]1CCC[C@@H](NC(=O)C[C@@]2(O)CCOc3ccccc32)C1 |
Fc1ccc([C@@H]2C[C@@H](N=c3[nH]c(Cl)nc4c(Br)csc34)CCO2)cc1 |
CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4ccc(S(N)(=O)=O)cc4F)C[C@@H]32)nn1 |
CCC(CC)[C@H]1CCN(C(=O)[C@H](C)CN(C)C(=O)Cc2cc(C)nn2C)C1 |
C[C@@H](CN1CCCCC1)C(=O)N[C@@H]1CCCN(C(=O)C(=O)C(C)(C)C)C1 |
CCN(CCNC(=O)CCSc1nnnn1C)C(=O)[C@@H](C)CC1CCCC1 |
CSCC1(CC(=O)N[C@H](C)CCNC(=O)[C@@H](C)OC(C)(C)C)CC1 |
C[C@H](NC=O)C(=O)NC[C@@H](O)C(=O)N[C@H]1C=CCCCC1 |
CN1CCN([C@H]2CCCCN(C(=O)C[C@H]3CCC(C)(C)c4ccccc43)C2)CC1 |
CN(C)Cc1ccc(CN2CC[C@@H]3[C@@H]2CCCN3c2ccnc3ccnn23)cc1 |
C[C@H]1CCN(C(=O)[C@@H]2CN(C(=O)CCCCCl)CCC2(F)F)C1 |
CO[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[C@H]3CNC(=O)CN2CCC[C@@H](N(C)C)C2)C1 |
C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]2C(C)(F)F)CC1 |
COC(=O)[C@@H]1CCCC2(CCN(C(=O)CCCN3CCc4ccccc43)CC2)O1 |
CN1CC[C@](C)(C(=O)N(C)C[C@H](O)CNC(=O)c2cc(C3CCC3)on2)C1=O |
CCc1noc(C)c1C(=O)N1CC[C@@H](NC(=O)C[C@H](C)C2CC2)C2(CCC2)C1 |
CC[C@@](C)(O)Cc1cn(C2(C(=O)NC[C@H]3OCCC3(C)C)CC2)nn1 |
CCCN(CCNC(=O)[C@@H](O)Cc1[nH]cnc1C)C(=O)CCOCC(F)F |
CCCC[C@@H](C(=O)N1CCC[C@@H]1C1(NC(=O)C=Cc2cncn2C)CC1)C(C)C |
CN(CCn1ccnc1)S(=O)(=O)c1ccc(NCC(C)(C)C(F)(F)F)cc1Cl |
CC1(C(=O)NC2CCN(Cc3nnc(C(C)(C)C)o3)CC2)CCCCCC1 |
CSCC1CCN([C@@H](C(=O)NC2CCCC2)c2cc(=O)n3ccccc3n2)CC1 |
C#CC1(N2CCN(C(=O)N3CCC[C@H]3C)CC2)CCOCC1 |
Cc1ccc2c(c1)CC[C@@H]2C(=O)N(C)C1CC(NC(=O)C2=CC(C)(C)C2)C1 |
Cc1cccc(C)c1C(=O)N(C)C[C@H]1CCN(C(=O)[C@H](C)CC2CCCCC2)C1 |
Cc1sccc1C(=O)NC[C@]1(C)CCCN1C(=O)[C@@H]1CC(=O)[C@@H]1C(C)(C)C |
CO[C@@H]1CCC12CC(C(=O)N[C@@H](CNC(=O)c1nc(C)sc1C)C1CCCC1)C2 |
O=C(NC[C@H](CO)Nc1ncnc2scc(Br)c12)c1ccccc1-c1cn[nH]c1 |
COC1(C(=O)NC[C@]2(C)CCCN(C(=O)[C@@]3(C)C[C@H](O)CN3C)C2)CCCCC1 |
C=CCC(C)(C)CC(=O)N1CCC[C@](C)(CNC(=O)C[C@@H]2CC2(Cl)Cl)C1 |
Cc1cnc(C(=O)CN2CCCCC23CCC3)cn1 |
CC1=C(C(=O)N2CCC(CNC(=O)C3=CC=CC(F)=C3C)(C3CC3)C2)SCCO1 |
C=C(CCNC(=O)[C@H](C)c1cccc(F)c1)CNC(=O)CO[C@H](C)CC |
C=CCCC(=O)N[C@H]1CCN(C(=O)C[C@H](n2cccn2)C(F)(F)F)CC1(C)C |
CNC(=O)CCC(=O)N1CCN(c2ccc(C(=O)N3CC[C@H]3CF)cn2)CC1 |
C=CCCC[C@@H](NC(=O)[C@H]1CCC[C@@H]1O)C(=O)Nc1cncc(C2CC2)c1 |
C#CCn1cnnc1C(=O)N[C@H](CNC(=O)[C@]12COC[C@H]1C2(F)F)C1CCCC1 |
CCOc1cncc(C(=O)N2CC[C@H]3CCCN(C(=O)c4[nH]nnc4C)[C@H]3C2)c1 |
CCc1cnn(C)c1[C@H](C(=O)N[C@H](C)CC)N1[C@H]2CCC[C@H]1c1c[nH]nc1C2 |
C=CCn1cc(C(=O)N2CCC[C@@](F)(CNC(=O)[C@H](C)NC(N)=O)CC2)cn1 |
CC(C)c1cc(C(=O)NC[C@@H]2CC[C@@H]2NC(=O)[C@@H]2CCCN2S(C)(=O)=O)nn1C |
CO[C@H]1C[C@@H](CNC(=O)C2CC(C)(F)C2)N(C(=O)Cc2n[nH]c(C)n2)C1 |
CCCC1CN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2nccnc2C)C1 |
O=C(Cn1nc(Cl)ccc1=O)N1CCC[C@H]1c1ccc(F)cc1 |
C#CCN(C(=O)[C@H]1CCO[C@@H]1CNC(=O)CN(CC)C1CC1)C1CCCC1 |
Cc1cc(C(=O)NC[C@@H](O)CN(C)C(=O)c2c(Cl)cc(Cl)cc2Cl)oc1C |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.