smiles stringlengths 6 131 |
|---|
CC[C@@H]1[C@H](NC(=O)[C@H](C)C2CCCCC2)CCCN1C(=O)C1CC(C)C1 |
CN(C)c1cc(C(=O)NCc2cccc(CNC(=O)[C@]3(C)C[C@@]3(F)Cl)c2)ccn1 |
CC[C@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)NC(=O)Cn1cnc([N+](=O)[O-])c1 |
CS[C@H](C(=O)N[C@H](C)c1ccc(CNC(=O)Cn2c(C)csc2=O)cc1)C(C)C |
C[C@@H]1C[C@]2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C3(c4ccc(F)cc4)CC3)C[C@H]12 |
CN=c1cc(C(=O)NCc2nnc3n2CCN(C(=O)[C@@H]2CCC2(C)C)C3)cc[nH]1 |
CC(C)C1(C(=O)N[C@H]2C[C@@H](CO)N(C(=O)[C@H]3CCC(C)(C)O3)C2)CC1 |
CC[C@@H](CNC(=O)c1ccc2snnc2c1)NC(=O)CC(F)F |
C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccccc3)C2)C[C@@H]1NC(=O)C=C1CCCC1 |
CC[C@H](C(=O)N[C@H]1CN(C(=O)CSC(C)(C)C)CCC12CCC2)[C@H](C)O |
CCCN(C(=O)c1cn(CC2CC2)nn1)[C@@H]1CCN(C(=O)c2c[nH]cc2CC)C1 |
CCc1ncccc1NC(=O)CCCC(C)(C)NC(=O)C=CC1CC1 |
COC(=O)C1([C@]2(O)CCCN(C(=O)NCc3csc4c(Cl)cccc34)C2)CCC1 |
CCO[C@H](C)C(=O)N[C@H](C)CN(C)C(=O)[C@]1(C2CCCC2)CCNC1=O |
CN=c1ccc(C(=O)N2CC(=O)C[C@@H]2C(=O)N(CCO)C[C@H](O)CO)c[nH]1 |
Cc1ccc(C(=O)N[C@H]2CN(C(=O)[C@H]3CCN(C)[C@H]3C)C[C@@H]2C(F)F)cc1 |
CCC[C@H](CNC(=O)c1nc2ccccc2[nH]1)NC(=O)CCCCc1cnn[nH]1 |
CC[C@H](CC(=O)N[C@H]1COCC[C@H]1NC(=O)C(C)=Cc1ccc(F)c(F)c1)SC |
CCCNC(=O)CCC(=O)N1C[C@H]2[C@H](CNC(=O)C3CC4(CC[C@@H]4OC)C3)[C@H]2C1 |
COc1cccc2c(N3C[C@H]4CN(C(=O)c5c(F)cccc5F)C[C@H]43)ncnc12 |
Cc1nn(CC(=O)N(C)C[C@H](C)NC(=O)C[C@@H](c2ccon2)C(F)(F)F)c(=O)o1 |
CC(C)Cn1nccc1C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)CNC(N)=O)C2)C1 |
CSC(C)(C)C(=O)N1C[C@H]2C[C@@]2(CNC(=O)C(C)(C)c2cncs2)C1 |
CC(C)(C)OC(=O)NC1CN(c2ccccc2-n2cc(CC3(O)CCC3)nn2)C1 |
FC1(F)C[C@@H]1OCCNC1(c2nnnn2C2CCOCC2)CCCCCCC1 |
CCOCCNC(=O)[C@@H](c1ccn(C(F)F)n1)N1CCCC[C@@H]1CCC(=O)NC |
CSCCOCC(=O)N1CCC[C@H](C)[C@@H]1CCNC(=O)C1=C(Cl)CCC1 |
C[C@@H]1[C@H](C(=O)NC[C@@](C)(O)CNC(=O)c2cnc(N)c(N)c2)CCN1C |
CC[C@H](C)[C@H](O)C(=O)N1CC(C2CN(C(=O)C3(C(F)(F)F)CCCC3)C2)C1 |
CC(C)c1ccsc1C(=O)NC[C@](C)(NC(=O)C1=C(Cl)CCC1)C1CC1 |
O=C(NCC[C@@]1(O)CCN(C(=O)c2cnn(CC3CCC3)c2)C1)c1csc(O)n1 |
CCN(C(=O)[C@@H]1CCC[C@H]1CF)C1CCN(C(=O)c2cc(C)c[nH]2)CC1 |
COCC1(C(=O)NCC[C@@H]2CC[C@H](NC(=O)c3c(C)noc3N)C2)CCCC1 |
CCc1cnc(C(=O)N2CC[C@H](NC(=O)C3CC4(C3)C(F)(F)C43CC3)C2)nc1 |
Cc1nc(CC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N(C)C)cc2)cs1 |
CC[C@H](C)CCC(=O)N[C@H]1CCO[C@H](CNC(=O)c2cc(F)c(F)c(N)c2Cl)C1 |
C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CNC(=O)CO2)CN1C(=O)CCN(C)CCO |
C=C(CNC(=O)[C@H]1COC[C@H]1NC(=O)c1ccc(N)cn1)C1CCOCC1 |
CSCCCNC(=O)[C@H](c1cn(C)nc1Cl)N(C)CC1CCN(C[C@H](C)O)CC1 |
O=C(NC1CN(C2CCC2)C1)[C@H]1C=CCCN1C(=O)CCCCC1CC1 |
C#Cc1cccc(CC(=O)N2C[C@@H](NC(=O)C(=CC)CC)CC[C@H]2C)c1 |
C[C@H]1CN(c2ncnc(Cl)c2CO)C[C@H]1NC(=O)C1(C)CCC(C)(C)CC1 |
CC[C@H](C(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)c1cc2c([nH]1)CCCC2)[C@H](C)O |
O=C(c1nccc(Cl)c1F)N1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1CC[C@H]2C[C@@H]12 |
CC(F)(F)C(C)(C)CC(=O)N[C@@H]1C[C@H]2CN(c3nnnn3-c3ccccc3)C[C@@H]21 |
CCn1cc(CC(=O)N(C)[C@@H](C)CN(C)C(=O)CCP(C)(C)=O)c2ccccc21 |
CCCC[C@H](CC(=O)N1CC(CC(C)C)C1)NC(=O)C1=CCCOCC1 |
C[C@@H](NC(=O)C[C@H]1CC=CCC1)C(C)(C)NC(=O)c1cccc2oc(O)nc12 |
CC[C@H]1CN(C(=O)c2cc(CCO)on2)CC[C@H]1NC(=O)CCc1cscn1 |
Cc1oc([N+](=O)[O-])cc1C(=O)N1CC(N(C)C(=O)c2cccnc2N)C1 |
CC(C)(O)[C@H](CCO)NC(=O)[C@]1(CO)CCN(C(=O)[C@H]2C[C@H](O)[C@@H](F)C2)C1 |
CSc1cscc1C(=O)N1CCC2(CC(NC(=O)C[C@@H](C)N(C)C)C2)C1 |
O=C(CS(=O)(=O)CC(F)(F)F)N1CC[C@H]1CNC(=O)C1(O)CC1 |
N=c1[nH]cnc2cc(C(=O)N3CCN(C(=O)[C@H]4C[C@@H](O)C4)C[C@@H]3C(F)F)ccc12 |
C[C@H]1CC[C@@H](CNC(=O)C2=C[C@H](O)[C@H](NC(=O)C3(C)CCCC3)C2)C1 |
Cc1cc(C(=O)N2CCC[C@H](C(=O)NCC[C@@H]3CCCCN3C)CC2)ccc1O |
CCc1cc(C(=O)NCCC2=CCN(C(=O)c3cnn4c3OCCC4)CC2)n[nH]1 |
C=C(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[C@@H]2[C@H]1C(=O)N1C[C@H]2C[C@@]2(CC)C1 |
CC(C)(O)[C@H](NC(=O)COC1CCCCC1)C(=O)NCC[C@@H]1CCSC1 |
C[C@@H]1CCCN(C(=O)C[C@@H]2CNC(=O)O2)[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 |
C=C[C@@]1(C(=O)N2CCn3nncc3C2)CCN(C(=O)CCOCC(F)F)C1 |
COCC[C@H]1C[C@@H]1C(=O)NCCCC(=O)NC[C@@](C)(O)C1CC1 |
O=C1C[C@]2(CC[C@@H](C(=O)N[C@H](CO)CNC(=O)C3CCC3)CC2)CN1 |
CCn1cc(C(F)(F)C(=O)N[C@@H](C)CN(C)C(=O)c2ccc(C)c(CO)c2)cn1 |
O=C(COC1CCOCC1)NC[C@@H](CO)NC(=O)CCc1nc2ccccc2s1 |
Cc1cc(N)cc(C(=O)N(C)[C@H]2CN(C(=O)C#CC(=O)N(C)C)CC23CC3)c1F |
Cc1nn(C(C)C)c2nc(O)cc(C(=O)NCCC(C)(C)NC(=O)CC(F)F)c12 |
CCSc1cncc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H]3COCC(C)(C)O3)CC2)n1 |
C=C[C@@](C)(O)C(=O)NCc1cc(C(=O)Nc2ccc(C3CC3)nc2)n[nH]1 |
COCCN(CCNC(=O)[C@]1(C)C[C@H]1F)C(=O)c1ncsc1C |
CC[C@H](C)CCC(=O)NC1(CNC(=O)c2cn3ccc(F)c(C)c3n2)CCCC1 |
CC=C[C@H](O)C(=O)N1CC[C@@H](N(CCO)C(=O)CSc2cccc(Cl)c2)C1 |
CO[C@@]1(CNC(=O)c2cc3ccnc(Cl)c3s2)CCN(C(=O)Cc2cc[nH]n2)C1 |
CCn1nnnc1[C@]1(NCCCSC)CCCN(CC(F)(F)F)C1 |
Cc1cc(C(=O)N[C@H]2CC[C@H]2CNC(=O)C(F)(F)c2cc(F)ccc2C)no1 |
CSC1(CNS(=O)(=O)c2ccc(=NC[C@@H]3CCC[C@@H](F)C3)[nH]c2)CC1 |
CN(C)C1(C(=O)NC[C@H]2CC[C@H](NC(=O)C3(CO)CCOCC3)CC2)CC1 |
FC(F)CCCN=C(NC1CC1)N1C[C@H]2COCC[C@H]2C1 |
CC(C)(C)OC(=O)N1CC(c2ccccc2C(=O)O[C@@H]2CCNC2=O)C1 |
CN1C(=O)[C@H](F)C[C@H]1C(=O)N1C[C@](O)(C(F)(F)F)C[C@H]1C(=O)O |
O=C(C#CC1CCCC1)N[C@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)n(C(F)F)n2)C1 |
C=C(C)CCONC(=O)[C@H](F)C1(O)CN(C(=O)C2=NO[C@@H](C)C2)C1 |
C[C@@H]1OCC[C@]1(F)C(=O)NCCOC1CN(C(=O)c2cc(N)ccc2Cl)C1 |
CC1=NO[C@H](C(=O)N[C@@H]2CCN(C)[C@]23CCCN(C(=O)c2cncnc2C)C3)C1 |
COc1ccc(C(=O)N2CCC[C@@H]2CCNC(=O)c2ccnc(C)c2C)c(C)c1 |
COC1(CC(=O)N2CCN(C(=O)c3cccc(N(C)C)c3)C[C@@H]2C)CCOCC1 |
CC1(C)CCO[C@@H]1C(=O)NC[C@@H](NC(=O)c1cccc(O)c1F)C1CC1 |
CCN(C[C@@H]1CCCN1C(=O)CNc1ccccc1C(N)=O)C(=O)[C@H](C)N(C)C |
Cc1cc(F)c(CC(=O)N2CCC[C@H](CCNC(=O)c3snnc3C)C2)cc1F |
Cc1noc([C@@H]2[C@H](C(=O)NCC[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C(C)C)C2(C)C)n1 |
CC(C)(O)CCNC(=O)[C@@H](NC(=O)Cc1ccc2c(c1)CC2)C1(O)CCCCC1 |
CSc1nc(C(=O)NC[C@@H]2C[C@H]2NC(=O)c2cc(C)ccc2O)c2ccccn12 |
Cc1ccc(C(=O)N[C@H](C)C(=O)NC2[C@@H](O)C[C@@H]2O)c(O)n1 |
CCN([C@@H]1CCNC1=O)[C@@H](C(=O)NC1(C)CC1)c1ccncc1 |
CCC[C@@H](O)C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)C1(n2cncn2)CC1 |
C#Cc1cccc(C(=O)NCCC[C@H]2CCCN2C(=O)c2nc(O)sc2C)c1C |
CC1(C)CC[C@H](C(=O)NC2(CNC(=O)c3cnc(F)c(F)c3)CCCC2)O1 |
C[C@@H](CNC(=O)C[C@H]1CCN(C)C1=O)C(=O)NCc1ccc(F)cc1O |
CN(C)C1CCC(C(=O)NC2C[C@@H]3CN(C(=O)c4ncc(F)cn4)C[C@H]3C2)CC1 |
Cc1ncc(CNc2ccsc2C(=O)Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)[nH]1 |
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