smiles stringlengths 6 131 |
|---|
CC(C)(C(=O)O[C@@H]1CCCNC1=O)c1ncco1 |
O=C(NC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1CCCC1)c1ccc(CF)cc1 |
C=C[C@H](CC)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)C12CCC2 |
CN(C)C=NC(=S)N(C(=O)c1ccc(N2CCCCC2)nc1)c1ccccc1 |
C[C@@H](Sc1nncn1C)C(=O)N[C@H](CO)CNC(=O)c1cc(Cl)ccc1F |
Cc1c(S(N)(=O)=O)sc(C(=O)N2CC[C@@H]2CNC(=O)c2cc(CO)on2)c1Cl |
CCC(CC)(CCNC(=O)CC1CCCC1)NC(=O)CC1CCN(OC)CC1 |
C[C@H](NC(=O)C=Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CC[C@@H](F)C2)CC1 |
O=C(Cc1cn[nH]c1)NC1(CO)CN(C(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)C1 |
CC1=CSC(C(=O)N2CCCC(CN(C)C(=O)C3=C4CC(C)CCN4N=C3)C2)=C1 |
Cc1cc(C)n(CC(=O)NC[C@H]2CN(C(=O)C3CC(C4CC4)C3)CC(C)(C)C2)n1 |
Cc1c(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)Cc2ccon2)sc2cc(F)ccc12 |
C=C(Cl)CCC(=O)NC1CCC(C(=O)N2CCN(CC)[C@@H](C)C2)CC1 |
CO[C@H](C)[C@H](NC(=O)[C@H](F)C1CCCCC1)C(=O)NC[C@@H]1CCCOC1 |
CC(C)(C)C[C@H](O)C(=O)N1CC[C@@H]([C@H]2CCCN2c2ncc3c(n2)COC3)C1 |
Cc1ncccc1CCC(=O)NCC#CCNC(=O)[C@H]1CC(=O)OC1(C)C |
Cc1cc(NC(=O)CC2=CCN(C(=O)C(C)(C)C(C)C)CC2)c(O)cc1F |
Cc1snnc1C(=O)NC[C@@H]1CN(C(=O)[C@]2(C)CCCOC2)CC12CCOCC2 |
CC1=CC[C@@H](C(=O)N(CCN(C)C(=O)c2ccc(=O)n(CCF)n2)C(C)C)CC1 |
Cc1nc(C2CC2)sc1C(=O)N1Cc2ccccc2[C@H](NC(=O)[C@H]2CCOC2)C1 |
O=C(NC[C@H]1CN2CCCC[C@H]2CN1C(=O)c1cn[nH]c1)c1n[nH]cc1Br |
O=C([C@@H]1CCC(=O)N(C2CC2)C1)N1CC2(CCN2C(=O)Cc2ccsc2)C1 |
O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(F)c(F)c1Cl |
O=C(CSc1ccc(F)cc1F)NC[C@@H]1CCCN(C(=O)Cc2cccs2)C1 |
C[C@](O)(C(=O)N[C@@H]1CCCN(C(=O)c2cc3c(Cl)nccc3s2)CC1)C1CC1 |
C=CCCOCC(=O)NCCCC(C)(C)NC(=O)CS(=O)(=O)Cc1cnn(C)c1 |
C[C@@H](NC(=O)c1ccccc1Cl)[C@@H](CO)NC(=O)CNC(=O)CC1CCCCC1 |
C=CCOCC(=O)NCC1(F)CC(NC(=O)CCCn2nc(C)nc2C)C1 |
CCOC(=O)[C@H](OC)C(=O)N1CC(CC)(C(=O)NC[C@@]2(CO)CC2(C)C)C1 |
COc1ccc2oc(C(=O)N3C[C@H]4C[C@H](N5Cc6c[nH]nc6C5)[C@H]3C4)cc2c1 |
Cc1ccc(C(=O)N2CCN(C(=O)c3cnn(C(C)C)c3F)C[C@H]2C)nc1C |
CC[C@]1(C(=O)N2CCOC[C@H](NC(=O)c3cncc(C(C)(C)C)c3)C2)CC1(F)F |
CCc1nn(C)c(Cl)c1C(=O)N1CCCC[C@@H](NC(=O)[C@@H](C)n2cncn2)CC1 |
Cc1sc(C(=O)N2CCn3nc(CNC(=O)[C@@H](C)[C@H]4CCCO4)cc3C2)nc1O |
CCC12CCC(C(=O)N[C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]3F)(CC1)CO2 |
C[C@@H](CN(C)C(=O)c1ccsc1Cl)NC(=O)C[C@@H](c1ccon1)C(F)(F)F |
Cc1ccnc2nc(C(=O)NCC[C@H](C)NC(=O)c3cc(=O)n(C)o3)nn12 |
C=CC1(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOCC1 |
Cc1ocnc1C(=O)N[C@]12CC[C@H](C[C@H]1n1cc(-c3cccnc3)nn1)C2 |
Cc1ncc(C=CC(=O)NCC2(O)CC(CNC(=O)c3ccc(C)c(O)n3)C2)s1 |
Cc1csc(N[C@H](C)C(=O)N2CC[C@](C)(NC(=O)CCCCF)C2)n1 |
CC1(C)C[C@H](O)CCN([C@H](C(=O)NCCCF)c2cc(Br)ccc2F)C1 |
N#C[C@]1(C(=O)N2C[C@@]3(C(=O)N4CCC5(CC4)C[C@@H]5CO)C[C@H]2CO3)CCCO1 |
CC(C)CC(=O)NC[C@@H]1CN(C(=O)C23CC(C)(CO2)C3)CC(C)(C)C1 |
CC=CCCC(=O)NC[C@@]1(C)CN(C(=O)CN2CC=CC2)CCO1 |
N#Cc1cc(C(=O)N[C@H]2CCC[C@H](NC(=O)CCCC(N)=O)C2)ccc1Cl |
C[C@H](NC(N)=O)C(=O)NC1(CCCNC(=O)CCCC(F)(F)CO)CC1 |
C#CCN(CC=C)C(=O)CCN(C)C(=O)c1cc(C)nn1CC |
CC(C)CSCCC(=O)N[C@@H]1CC[C@H](NC(=O)CC[S@@](C)=O)C1 |
O=C(COCCF)N[C@@H]1CN(C(=O)c2ccccc2-n2cnnn2)CC12CCC2 |
CC[C@H](CCC(=O)N1CCC(C)(C(=O)N[C@H](C)CN2CCCCC2)CC1)OC |
CN(CCC1CCCCN1C(=O)C1CCCC2(CC2)C1)C(=O)C(C)(C)C |
C=C[C@H](C)[C@H](C)C(=O)N1C[C@@]23CCC[C@]2(CN(C(=O)c2n[nH]cc2Br)C3)C1 |
CCC(=CC(=O)N[C@@H]1CCN(C(=O)c2cc3cccc(C)c3s2)C[C@@H]1CC)CC |
C=CC(C)(C)C(=O)NC[C@H]1C[C@H]1NC(=O)CCC(=O)OCC |
Cc1cnc(Cl)c(C(=O)N(C)[C@H](C)CNC(=O)CCCn2ccnc2)c1 |
C[C@H](Cn1ccc2ccccc21)C(=O)NCCOCCNC(=O)CC1CCC1 |
CCCCOCC(=O)N1CC[C@](O)([C@H](C)NC(=O)CNC(=O)NC2CC2)C1 |
COc1ncccc1NC(=O)c1n[nH]cc1NCc1cccc(C(=O)O)c1 |
CN(C)c1ccc(C(=O)NCC[C@@H]2CCCN2C(=O)C[C@@H]2CCNC2=O)cc1 |
CC(=Cc1cn[nH]c1)C(=O)NC[C@H]1C[C@H](O)[C@H](O)C[C@H]1C(=O)NC1[C@H](C)[C@H]1C |
CC(C)c1cccc(C(=O)N2C[C@@H]3CC(NC(=O)C4(S(C)(=O)=O)CC4)C[C@H]3C2)n1 |
CCn1nc(C)c(C(=O)NCc2nc(C)ns2)c1C |
C=CCCO[C@@H](C)C(=O)NC1CN(C(=O)[C@]2(c3ccc(F)cc3)CC2(C)C)C1 |
Cn1cc([N+](=O)[O-])c(N2CC[C@@](CNC(=O)c3ccno3)(C3CC3)C2)n1 |
CCCCCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)Cc1c(C)cc(O)cc1C |
Cc1ccc([C@H]2CC(C(=O)N3CC(n4cc([C@@H]5CCCOC5)nn4)C3)=NO2)cc1 |
O=C(Nc1cccnc1F)[C@H]1CCN1C(=O)c1cc(F)ccc1F |
CC[C@H]1CC[C@H](NC(=O)C[C@@]2(C)CCN2C(=O)COC)CC1 |
CN1CC(CCN=c2cccc(S(=O)(=O)N3CCC(F)(F)[C@@H](CO)C3)[nH]2)C1 |
C[C@H](CC(=O)NCC(=O)NCC(=O)N1C[C@@H](CO)C1(C)C)C1CC1 |
CCN1CC[C@@H](C(=O)N2C[C@@H]3C[C@@H](C)N(C(=O)Cc4csc(C5CC5)n4)[C@@H]3C2)C1 |
CCN1CC[C@@H](NC(=O)[C@@H]2CC[C@H](NC(=O)c3nccnc3C)C2)C1=O |
CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1[nH]ccc1C1CNC1 |
CCN(C(=O)CC1CN(C(C)=O)C1)[C@@H](C)C(=O)Nc1cccc(OCF)c1 |
CCOc1ccc(C(=O)N[C@H](C)CCCCNC(=O)c2cncn2C(C)C)cn1 |
CC[C@H](C)NC(=O)[C@@H](c1cc(C)c2occc2c1)N1CCC[C@@H]1Cn1cccn1 |
NS(=O)(=O)c1cnc(N2CCC[C@H]2c2ccccc2Cl)c2ccccc12 |
O=C(NCC[C@@]1(O)CCN(C(=O)CCCCc2cnc[nH]2)C1)[C@@H]1CCCS1 |
CCOc1ccc(C(=O)NCC(=O)Nc2cc(F)ccc2Br)cc1 |
CC(C)[C@@H](C)CN(C)CCC(=O)NC1CC(C)(NC(=O)C2(CN(C)C)CC2)C1 |
CC(=O)N[C@H](COC(C)C)C(=O)N(C)C1CCC(Nc2nccnc2C#N)CC1 |
C#CC[C@@]1(C(=O)NC[C@@H]2CCCNC2=O)CCN(C(=O)C=C(CCC)CCC)C1 |
O=C(NCCc1cc(O)ncn1)NCc1ccc2nnnn2c1 |
CCOCC1(C(=O)N2C[C@@H](O)[C@H](CNC(=O)C(C)O)C2)CC1 |
O=C(CC1(C2CC2)CC1)N[C@@]12C[C@@H]1CN(C(=O)[C@H]1SCCc3ccccc31)C2 |
Cc1cncc(CC(=O)NC[C@@H]2C[C@@H](C)N(C(=O)C3=C(C#N)CCC3)C2)c1 |
COC[C@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)Cc2ccc(C3CCCCC3)cc2)C1 |
CC[C@@H](CNC(=O)[C@@H]1CCCCO1)NC(=O)Cn1[nH]cnc1=N |
CC=CCCC(=O)NC(C)(C)[C@H]1CCCN1C(=O)c1csc2ncnc(O)c12 |
CC(C)c1ccc(C(=O)N2CCOC[C@H](NC(=O)[C@H]3C[C@]3(C)C(F)(F)F)C2)cc1 |
CSC(SC)C(=O)NC[C@H]1CN(C(=O)C2=C[C@H]3C=C[C@H]2C3)[C@H]2CCN1C2 |
CC/C(C)=C/C(=O)NC[C@@H](NC(=O)CCOCC(C)C)[C@H](C)C(C)C |
CCc1nocc1C(=O)N(C)[C@@H](C)CN(C)C(=O)[C@H]1C[C@H]2COC[C@H](C2)C1 |
COc1ccc(C[C@H](CC(=O)NCCCCC(F)F)NC(=O)OC(C)(C)C)cc1 |
C#Cc1ccc(C(=O)N(C)CCCNC(=O)C2=C[S@@](=O)CCC2)c(F)c1Cl |
C=CCC[C@H]1CCCN(C(=O)CCC[C@H](CC)NC(=O)CCc2nc(O)n[nH]2)C1 |
COCCc1n[nH]c(=NCCC2(OC)CN(C(=O)[C@H]3Cc4ccc(Cl)cc43)C2)s1 |
C/C=C/C[C@@H](C)C(=O)NC1(CCCNC(=O)Cn2c(C)cc(O)cc2=O)CC1 |
CC(C)n1cccc1C(=O)NCCCNC(=O)c1cc2ncccc2cc1Cl |
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