smiles stringlengths 6 131 |
|---|
CCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](NC(=O)CCS(C)(=O)=O)C2(CCC2)C1 |
CC(C)C[C@H](N[C@@H](c1cc(Cl)nc(Cl)c1)C(F)(F)F)C(=O)OC(C)(C)C |
CCc1nc(CC(=O)N[C@H]2C[C@@H]2NC(=O)C=Cc2ccc(=N)[nH]c2C)cs1 |
O=C(NC[C@H]1CCCN(C(=O)C2(F)CC2)C1)[C@@H]1Cc2ccccc2O[C@H]1C(F)F |
Cn1nncc1CCNC(=O)[C@@H]1COCC[C@@H]1NC(=O)C[C@@H]1CCSC1 |
CCCCCCCCNC(=O)CC(=O)N1CCc2c(ccc(OC)c2OC)C1 |
CC[C@H](C)CCCCC(=O)NCC1(C)CCN(C(=O)C[C@H]2C[C@@H]2C(F)(F)F)CC1 |
O=C(O)c1cc(CN2CCN(c3ccccc3O)CC2)cc(C(=O)O)c1 |
O=C(c1c(F)ccc(F)c1F)N1CCN(C(=O)[C@@]23CC[C@@H](O)[C@@H]2CC3)C[C@@H](O)C1 |
COC[C@@]1(CNC(=O)CCC[N+](=O)[O-])CCCN1C(=O)c1cc(C)on1 |
O=C(CCOCCOCCCO)N1CC2(CCN(C(=O)c3ncccc3Cl)C2)C1 |
CCCCCC[C@H](C)C(=O)N(C)[C@H](C)CC(=O)NCc1cnc(COC)[nH]1 |
Cc1nc(SC(F)(F)F)sc1CC(=O)NC[C@H]1CSCCO1 |
CCN(CCCNC(=O)[C@@H]1[C@H]2CN(C)C[C@H]21)C(=O)c1cc(C)cc(OC)c1 |
Cc1ccnc(C)c1CNC(=O)[C@@H](CNC(=O)c1cc(C#N)n(C)n1)N(C)C |
C[C@H](CC1CN(C(=O)Cn2cnc(C(N)=O)n2)C1)NC(=O)[C@]12CCC[C@@H]1C2(F)F |
CCC(C)(C)[C@@H](O)C(=O)N(CCNC(=O)c1ncc2ccccn12)CCOC |
C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1N)NC(=O)c1cnn2c1N(C)CC2 |
C[C@@H]1CC[C@@](CO)(NC(=O)CC2=CCN(C(=O)C[C@@H]3CC3(C)C)CC2)C1 |
CC(C)C[C@H](O)c1cn(C[C@@H]2CCCN2C(=O)CO[C@H]2CCOC2)nn1 |
CC1(C)CCC=C(C(=O)N2CCC[C@@H]3CN(C(=O)CCC(N)=O)CC[C@H]32)C1 |
CCOCCC(=O)NC[C@@H]1CCCN1C(=O)C(=O)c1cn(C)nc1C(F)F |
Cc1ccc(CC(=O)N2C[C@H]3C[C@@]3(C(=O)Nc3cc(F)c(C#N)cc3F)C2)cn1 |
CC[C@H]1CCCCN1C(=O)CN1CC[C@@H]1CNC(=O)c1cccc(C)c1C |
O=C([C@H]1CC[C@H]2C[C@H]21)N1CC[C@H]2[C@H](CCN2C(=O)CCc2cscn2)C1 |
N#Cc1cc(Cl)cc(Br)c1NC(=O)[C@@]12C[C@H]1CN(Cc1c(Cl)ccc(Cl)c1Cl)C2 |
CN1CCC(N(C)S(=O)(=O)c2nc(N3CCN4CCCC[C@H]4C3)ccc2Br)CC1 |
CS(=O)(=O)[C@H]1C[C@@H](C(=O)NCCOCCOCCNC(=O)[C@@H]2CC[C@@H](O)C2)C1 |
CN(C)C(=O)CCC(=O)N[C@H]1CCC[C@H]1NC(=O)c1c(Cl)cnn1C |
CC[C@@H](OC)C(=O)N1CC[C@@]2(CNC(=O)c3ccn(CC(F)F)n3)CCC[C@@H]12 |
O=C(N[C@H]1CCCCN(Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1)[C@H]1C[C@@H](O)C1 |
CSC(C)(C)CC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)CC(F)(F)F)C1 |
C#C[C@]1(C(=O)Nc2cnccc2CO)CCN(C(=O)[C@@H](C)C/C=C/CC)C1 |
CCC[C@](C)(O)C(=O)NC[C@]1(F)C[C@@H](CNC(=O)c2cnc(OC)s2)C1 |
Cc1ccc(CC(=O)N2CC[C@@H](NC(=O)CCCn3cncn3)C2(C)C)cc1C |
Cc1ccnc(C)c1[C@@H](NC[C@@H]1CSCCS1)c1nnnn1-c1ccc(F)cc1 |
O=C(N[C@H]1CCN(C(=O)C=CBr)C12CCC2)c1cnc(-c2ccoc2)s1 |
CC1(C)CC[C@@H]1C(=O)N1CC2(CN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 |
CC[C@@H](CNC(=O)C(=O)N(C)C)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] |
COCCCC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)[C@H](F)C1 |
Fc1ccc(-n2cc(NCCn3ccnn3)cn2)cc1 |
CC#CCCC(=O)N(C)C[C@@H]1CCN(C(=O)c2ccc(O[C@H]3CC3(F)F)cc2)C1 |
C[C@@H]1CN(C(=O)c2nc3c(s2)COCC3)C[C@@H]1NC(=O)c1cc2ccncc2s1 |
CN(C)C[C@H](C(=O)N[C@@H]1CC[C@H]1CNC(=O)CN1CCC(C(N)=O)CC1)N(C)C |
C[C@H](NC(=O)C[C@@H](C)F)C1(C(=O)N2C[C@@H](F)C[C@H]2C)CC1 |
CCCn1ccc(C(=O)N2CC(n3cc(CNC(=O)[C@H](OC)C(C)C)nn3)C2)n1 |
O=C(c1ccn(Cc2ccccc2)c(=O)c1)N1CCCC[C@@H]1CC(F)(F)F |
Cc1nc2c([nH]1)C[C@@H](C(=O)NCC1(CNC(=O)[C@H](C)n3cnnn3)CC1)CC2 |
Cc1ccc(C(=O)N[C@H](C)[C@@]2(O)CCN(C(=O)c3ccc(C#N)n3C)C2)s1 |
CN(C(=O)COC1CCCC1)[C@@H](CNC(=O)[C@@H]1CCNC1=O)C1CC1 |
Cc1nc(C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)c2ccc4[nH]c(=O)cnc4c2)C3)c(C)s1 |
CC[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC(F)(F)CC2)C1)C1CCCC1 |
Cc1cccc(Br)c1OCC(=O)OCc1nc(-c2ccc(C(F)(F)F)cc2)no1 |
CO[C@H](C(=O)N1CCC[C@H]1CN(C)C(=O)C1(C(C)=O)CC1)C1CC(F)(F)C1 |
Cc1cc(C(=O)N2CCCN(C(=O)c3cnn(C4COC4)c3)CC2)c(C)nc1C |
CCCN(C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)[C@H]1CCN(C(=O)CP(C)(C)=O)C1 |
C[C@@H](C(=O)N1CCC2(CC[C@H]2NC(=O)c2ccc(F)cc2)CC1)C1(O)CCC1 |
CC(C)CS(=O)(=O)CCC(=O)NCCC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O |
CC(C)OC1(C(=O)N[C@@H]2CC[C@H]3CN(C(=O)CCNS(C)(=O)=O)C[C@@H]3C2)CCC1 |
CSCC[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc[n+]1[O-] |
CC[C@@H](O)[C@@H](C)C(=O)N1C[C@H]2C[C@H]1CN(C(=O)CNC(=O)CC(C)(C)C)C2 |
CCn1cc(C(=O)N(C)[C@@H](C(=O)NCc2ncccc2F)C2CC2)c(C)n1 |
CCc1ccc(CNC(=O)C(C)(C)[C@@H]2CCCN2C(=O)c2cc(C)n(CC)n2)s1 |
Cc1cccc2c1C[C@H](NS(=O)(=O)CC[C@@H](c1ccccc1)C(F)(F)F)CO2 |
Cn1cncc1C(=O)N1CC[C@@]2(C(=O)NC[C@H](O)CO)C[C@@H]2C1 |
O=C(CCc1cc(Cl)cs1)NC[C@@]1(O)CCCN(C(=O)c2cn[nH]c2)CC1 |
CCn1cc(Cl)c(C(=O)NC[C@@H](F)CNC(=O)Cn2cnccc2=O)n1 |
COCCn1cc(C(=O)N2CCCN(C(=O)CC3(O)CC3)C[C@@H]2C)nn1 |
O=C(NC[C@@H]1CCN1C(=O)Cc1cc(O)nc(O)n1)c1cc2ccccc2cn1 |
C#CC[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3cccnc3OC)[C@@H]2C)CCCCO1 |
O=C(C#CC1CC1)N[C@@H](CNC(=O)CCCOCCc1ccccc1)C1CCC1 |
CC[C@H]1CC[C@H](C(=O)N2CCC(CN(C)C(=O)C3(OC)CCCC3)CC2)C1 |
CC[C@H](C)CCCC(=O)NC[C@@H]1C[C@H]1NC(=O)CC1CN(C(=O)OC(C)(C)C)C1 |
CC1(C)[C@H]2CN(Cc3ccc(C#N)cc3O)[C@H](C(=O)NCc3ccnc(Br)c3)[C@H]21 |
CC1(C)CN(C23CC(C(F)(F)F)(C2)C3)C[C@H](CC(N)=O)O1 |
CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)c1csc(-c2ncccc2Cl)n1 |
C[C@@H](Cn1cc(CCN2CCCCC2)nn1)NC(=O)C1CN(S(N)(=O)=O)C1 |
CC=CC(=O)N[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@H]3CC[C@@]2(c2cncs2)C3)C12CCOCC2 |
CSC[C@H](C)C(=O)N[C@@H]1CCN(C(=O)c2cc3nc(C)[nH]c3cc2F)C1 |
CO[C@H](C)CCC(=O)N[C@H](CCN(C)C)C(=O)N(C)C[C@@H]1CCCN1C |
CC1(C)C[C@H](O)CN(C(=O)[C@H]2CNC(=O)CN2C(=O)c2ccsc2Cl)C1 |
CCC1(C(=O)OC[C@H]2CSCCO2)CCOCC1 |
N#Cc1cnc(NC[C@H]2CCC[C@@H]2NC(=O)[C@H]2CC(=O)N2)cn1 |
CC(=CC(=O)N[C@@H]1CC12CCCCCC2)CNC(=O)CCCNC(N)=O |
C#C[C@]1(NC(=O)CCC2CCN(C(=O)[C@H](CCOC)OC)CC2)CCOC1 |
CC[C@]1(C(=O)N[C@@H](C(N)=O)C2CCCC2)CCCN1C(=O)[C@H](C)n1ccnc1 |
CC[C@H](SC)C(=O)N(C)C1CCC(NC(=O)c2ccn3ccccc23)CC1 |
CCO[C@H](C(=O)NC(C)(C)CCN(C)C(=O)CN1C(=O)CNC1=O)C1CCC1 |
C=CCc1ccc(COC(=O)c2nnn(-c3ccccc3)n2)cc1 |
CCCOCCCC(=O)N[C@H]1CCCCN(C(=O)Cn2c(S)nnc2CCC)C1 |
Cc1[nH][nH]c(=N)c1C(=O)N1CC(C2CN(C(=O)[C@@]34C[C@H]3COC4(C)C)C2)C1 |
Cc1nnc2n1C[C@H](C(=O)N1C[C@H]3CC[C@H]1CN3C(=O)CC13COC(C)(C1)C3)C2 |
CCc1ncccc1[C@H](NC[C@H](C)c1cccc(OC)c1)c1nnnn1C1CC1 |
C#CC(C)(C)C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCc3cc(Cl)ccc32)C1 |
CCSCc1cc(C(=O)NC[C@H](C)NC(=O)c2cc(OC)cc(OC)c2N)no1 |
C#CCCCCCC(=O)N1CC[C@H](C(=O)N[C@H](C)C2CC3(CCC3)C2)CC1(C)C |
CC(=O)[C@@H]1C[C@@]1(Cl)C(=O)N1C[C@H]2[C@H](CC(=O)NCC[C@H]3CCCOC3)[C@H]2C1 |
CCCCSCC(=O)NCCC[C@@H](CO)NC(=O)C[S@@](=O)CC |
C=CC[C@@H](CNC(=O)c1ccc(-c2nncn2C)cc1)NC(=O)[C@@H]1CCC(=O)N1 |
CC(C)Cn1ccc(C(=O)N[C@H]2C[C@](C)(NC(=O)CC3CC(=O)C3)C2)n1 |
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