smiles stringlengths 6 131 |
|---|
CC=CC(=O)N1CC[C@@H]([C@H]2CCCCN2C(=O)c2cc(C)c(C)nn2)C1 |
CC(C)C[C@H](CCO)NC(=O)Nc1nc2c(Cl)cc(Br)cc2s1 |
COc1ccc(C(=O)N2C[C@@H]3[C@@H](C2)CN3Cc2sc3ccccc3c2C)c(Br)c1 |
Cc1c(C(=O)N2CCN[C@@H](C)[C@H]2C)c[nH]c2nccc1-2 |
COC1(C(=O)NCC[C@@H](C)NC(=O)c2ccncc2O)CS(=O)(=O)C1 |
CCCc1c(C(=O)N2CCC[C@H]2CNC(=O)C2(C)CC(C)(C)C2)nnn1C |
CC(C)n1cc([C@H]2C[C@@H]2C(=O)N2C[C@H]3C[C@H]2CN(C(=O)c2cc[nH]n2)C3)cn1 |
COc1cnc(F)cc1S(=O)(=O)NC1CCCCCCC1 |
Cc1cc(F)ccc1C(=O)N[C@@H]1CN(C(=O)C/C=C/C(C)(C)C)C[C@@H]1O |
CN(CC(=O)N[C@@H](CNC(=O)[C@@H]1CC12CCSCC2)c1ccccc1)C1CCC1 |
CC(=O)NCC(=O)N1C[C@H](C)CC[C@H]1CNC(=O)Cc1coc(C(F)F)n1 |
C=C[C@]1(C(=O)N2CC(C)(C(N)=O)C2)CCN(C(=O)[C@]23CCC[C@@H]2C3(F)F)C1 |
O=C(NC[C@H]1CCN(C(=O)C[C@@H]2CC[C@@H](O)C2)C1)c1nccc(C(F)(F)F)n1 |
Cc1ncc(C(F)(F)F)cc1C(=O)N[C@@H]1CN(C(=O)c2ccc(=N)[nH]n2)C[C@@H]1C |
C=CCN(OC)C(=O)[C@@H](O)CCNC(=O)C(C)(C)n1cccn1 |
C#Cc1ccc(C(=O)N[C@@H]2C[C@@H]2CNC(=O)c2cnn(C(C)C)c2)cn1 |
CN(CCNC(=O)c1ccoc1Cl)C(=O)c1ccc(F)cc1Cl |
CCC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3N2C(=O)C2CCN(C)CC2)C[C@H]1CO |
C[C@]1(NC(=O)[C@@H]2CCC(=O)N2C2CC2)C[C@H](NC(=O)C[C@@H](O)c2ccccc2)C1 |
COc1cc(F)c(C(=O)N2CC[C@@H](NC(=O)c3ccco3)C[C@@H]2C)cc1OC |
Cc1cc(C(=O)N2CC[C@H](OCC(=O)N(C)CC[C@@H](O)CO)C2)oc1C |
N#Cc1cccc(OCc2nc(C(=O)NCCOc3cncc(Cl)c3)cs2)c1 |
CCN1CC[C@H](C(=O)N(CCO)CCCNC(=O)C[C@@H]2COCC3(CCC3)O2)C1 |
O=C(CN1C[C@H]2CC[C@H]1C2)NCCCCCn1cc(CCc2ccccc2)nn1 |
COC(=O)[C@]1(Cl)C[C@H]1C(=O)OCCCCCOC(C)(C)C |
CC(C)(CCCNC(=O)c1cccc(F)c1C1CC1)NC(=O)[C@@H]1CCSC1 |
O=C(Cc1cncs1)N[C@H](CC(=O)N1CCC(F)(F)[C@H](O)C1)C(F)F |
C=C1C[C@H]1C(=O)N1CC[C@@](OC)(C(=O)NOCC2(C)CCC2)C1 |
C[C@@H]1c2ccc(-c3nn[nH]n3)n2CCN1C(=O)C[C@@H]1CCC(F)(F)C1 |
CNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](NC(=O)C3(CO)CC3)[C@H](C)C2)o1 |
CC[C@@]1(C(=O)N[C@H](C)C2CN(C(=O)COCc3ccc(OC)cc3)C2)CC1(F)F |
O=C(N[C@]12CC[C@H](C[C@@H]1n1cc(-c3cscn3)nn1)C2)[C@H]1CCOC2(CCC2)C1 |
Cc1ncc(C(=O)N2CC=C(CC(=O)N3CC[C@H](F)[C@H](F)C3)CC2)s1 |
C[C@@H]1CCC[C@]1(Nc1cc(F)c(F)c(F)c1)c1nnnn1CCC1CC1 |
Cc1c(N)ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H](O)Cc3cnn(C)c3)C[C@H]2C)c1C |
CO[C@H](C)CN(C)c1ncnc(NCCCS(=O)(=O)c2ccccc2)c1C |
O=S(=O)(N[C@H]1C[C@@H](NCc2cnc(Cl)nc2Cl)C1)c1ccc(F)cc1 |
Cc1cccc(CN2CCC3(CC2)C[C@H]3C(=O)Nc2ncc(CCO)s2)c1F |
C[C@H](CNC(=O)CCCCc1ccc(Cl)c(Cl)c1)[C@@]1(O)CCN(C(=O)CCF)C1 |
CCC(CC)(CNC(=O)[C@@H]1CCc2c[nH]nc21)NC(=O)c1ccc(C(F)F)s1 |
C#CCSCC(=O)N1CCCN(C(=O)C[C@H]2COC3CC2C3)C[C@H]1C |
O=C(/C=C/[C@H]1CCCO1)NCC1(NC(=O)/C(F)=C/c2cccc(F)c2)CC1 |
CO[C@H](CC(C)(C)C)C(=O)NCCCC[C@H](C)NC(=O)CC1CC(C2CC2)C1 |
C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C1(O)CN(C(=O)C(C)(C)CO)C1 |
O=C(NC[C@@H]1CCCN(C(=O)c2cnn(CC(F)F)c2)C1)[C@@H]1CCCNS1(=O)=O |
CCN1CCO[C@@H](C(=O)NC[C@@]2(F)CCCN(C(=O)CCc3cnn[nH]3)C2)C1 |
C[C@@H](NC(=O)c1c[nH]c(C(N)=O)c1)[C@@H]1CN(C(=O)C2(c3cccs3)CC2)CCO1 |
COc1cc(Cl)cc(C(=O)N[C@@H](C)[C@H](NC(=O)c2cnc(Cl)[nH]2)C(C)C)c1 |
COc1cc(C(=O)N2C[C@@H](NC(=O)C(C)(C)[C@H]3CCOC3)CC(F)(F)C2)ccn1 |
CCC1CC(C(=O)N2CC[C@H](NC(=O)c3cc(Cl)c(F)cc3Cl)C2)C1 |
CCC(=O)N[C@H](C)CNC(=O)c1cccc(OC)c1CC |
COCC1(C(=O)N2CC3(C2)SCC[C@@H]3NC(=O)C=C(C)c2ccco2)CC1 |
C=CCSCC(=O)N[C@H]1CCc2cc(CNC(=O)[C@@](C)(O)CC)ccc21 |
Cc1nc(N2CC[C@@H](NC(=O)CC[C@H]3NC(=O)NC3=O)C2)c2ccsc2n1 |
CC(C)OCC(=O)N[C@]1(C)C[C@H](NC(=O)[C@H]2CC[C@H](C(F)(F)F)N(C)C2)C1 |
C[C@]1(CCn2cc(-c3ccc4[nH]ccc4c3)nn2)CC1(F)F |
CCCCCCN(CCNC(=O)CC[C@@H]1CCOC1)C(=O)[C@@H]1C[C@H]1CC(C)C |
CCCCn1cc(C(=O)NC[C@](C)(NC(=O)[C@H](CCSC)NC=O)C(C)C)nn1 |
Nc1c(C(=O)N[C@H]2CCCN(C(=O)[C@@H]3CSCC(=O)N3)C2)ccc(Cl)c1Cl |
CC1=CC(F)=CC(C)=C1C(=O)NCCCOCCN(C)C(=O)CCC1CC1(F)F |
CC1(n2cc([C@H]3CCN(C(=O)C4(Cc5ccc(F)cc5)CCCC4)C3)nn2)CC1 |
COC[C@@H](C)[C@H](C)C(=O)N1CC(N(C)C(=O)c2cc(C(C)C)oc2C(C)C)C1 |
COC(=O)NCCNC(=O)C1(C)CN(C(=O)C[C@H]2CCCC(=O)C2)C1 |
C#CC[C@H](O)C(=O)N1CC(F)(CNC(=O)c2ccnc(CO)c2)C1 |
CC(C)/C=C/C(=O)N1CCC[C@H](C)[C@H]1CNC(=O)c1ccc2[nH]ccc2c1F |
CN1C[C@H](CCNC(=O)[C@H]2CC=CCN2C(=O)Cc2ccoc2)CC1=O |
O=C(N[C@H]1CCN(C(=O)c2cc(C3CC3)ccn2)CC12CCC2)[C@@H]1C=CCC1 |
CC(C)(C)n1ccc(C(=O)N2C[C@H]3CC[C@@H]2[C@@H]3NC(=O)Cc2ccc(Cl)s2)n1 |
C=CC(C)(C)CC(=O)NCC1CC(NC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)C1 |
CC(C)c1[nH]ccc1C(=O)N1CCCN(C(=O)c2sccc2Cl)CC1 |
COc1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)C(C)(C)OC)C[C@@H]2C#N)cc1F |
CC[C@@H](C)[C@@H](C)CNC(=O)[C@]1(NC(=O)C(F)F)C[C@@H](O)C1 |
CC1(C)CCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCC[C@H](CF)C2)CC1 |
CCC(C)(C)CCCC(=O)N1CCCC[C@H]1CCC(=O)NOCC1CC1 |
CCC[C@@H](O)CC(=O)NC[C@]12C[C@H]1CN(C(=O)c1cc(CF)on1)C2 |
CC[C@@H](NC(N)=O)C(=O)N1CCCN(C(=O)CCn2nc(C)nc2C)C[C@@H]1C |
CCn1ncc2c(N[C@H](C)C[C@@H](C)NC(=O)C3CC(C)(F)C3)ncnc21 |
C[C@@H](NC(=O)CCCCN1CCCC1)[C@H]1CCCN1C(=O)CC[C@@H]1CCCOC1 |
C[C@@H](O)COCc1cn(-c2ccc(C(=O)N[C@H]3CC34CC(O)C4)cc2)nn1 |
CC[C@H](CNC(=O)CCC(C)(C)F)NC(=O)[C@H]1OC(C)(C)OC1(C)C |
CC[C@H]1CCN(C(=O)CNc2cccnc2)[C@@H](C(=O)NC2(CCF)CCC2)C1 |
CCCOc1ccccc1C(=O)N(C)CCN(C(=O)[C@@H](O)C1CCCC1)C(C)C |
C#C[C@H](NC(=O)[C@H](C)[C@@H]1CCN(C(=O)CCc2cn(C)cn2)C1)C(C)(C)C |
CC(=O)NCC[C@@H]1CCCN(c2ncc(Cl)cn2)CC1 |
CCOCC(C)(C)C(=O)N[C@H](CO)CCCCNC(=O)c1ccc(Cl)cc1F |
C#C[C@@H]1CCCN(C(=O)[C@@H](C)CN(C)C(=O)COCC2CC2)C1 |
CN(C)[C@@H]1C[C@@H](NC(=O)NCc2nc(C3CCOCC3)no2)C12CCC2 |
CC#CCCC(=O)NCC[C@H]1CN(C(=O)C=Cc2cn(C)nn2)CCO1 |
Cc1ccc(C=CCC(=O)NC23CCC(CC2)N(C(=O)C2[C@H]4CCC[C@H]24)C3)cc1 |
C#CCCCCCCCNC(=O)[C@@H](NC(=O)C(C)=CCC)c1cnn(C)c1 |
CCCCC[C@@H](O)C(=O)N1[C@H](C(=O)N[C@H](C)c2c[nH]ccc2=O)[C@H]2CC[C@@H]1C2 |
Cc1ccc(CCC(=O)NC2(CNC(=O)c3ccc(NC(=O)C4CC4)s3)CC2)o1 |
Cc1nsc(Br)c1C(=O)N1C[C@@H](NC(=O)c2nnsc2C)C2(CC2)C1 |
CC[C@H]1CN(c2ncccc2S(=O)(=O)N2CCC[C@@H](c3nncs3)C2)CCS1 |
CCOC1(C(=O)N2CCN(CCN(C)C(=O)c3ncc(C)cc3F)CC2)CC1 |
CO[C@H](C)C(=O)N1CCN(C(=O)C=C2CCCCCC2(F)F)C[C@](C)(F)C1 |
CCN(C1CCCC1)[C@@H](C(=O)Nc1ccccc1C)c1cc2cc(Br)ccc2o1 |
CC(C)(C)OC(=O)Cn1c(-c2ccncc2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 |
CON(CCCO)C(=O)[C@H](CC1CCC1)NC(=O)c1ccc(C#N)s1 |
CCCCS[C@H](C)C(=O)N1CC[C@@]2(CCN(C(=O)C3(O)CC3)C2)C1 |
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