smiles stringlengths 6 131 |
|---|
C[C@@H]1C[C@@H]1CC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)CCCCN(C)C)CC1 |
CCc1nocc1C(=O)N[C@H](C)[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 |
CSC[C@@H](O)C(=O)N1CCO[C@](C)(CNC(=O)CNC(=O)N2CCCC2)C1 |
Cn1c(CCNC(=O)[C@H]2CCN(C(=O)c3nc(=N)cc[nH]3)C2)noc1=O |
C[C@@H](C(=O)N1CC[C@H]2[C@H](CCCN2C(=O)CN2OC(C)(C)CC2=O)C1)S(N)(=O)=O |
CCCSCC(=O)N1CC(NC(=O)CCCCCOc2ccc(Cl)cc2)C1 |
COC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1C[C@H](F)C1 |
Cc1n[nH]cc1C(=O)N1C[C@H]2[C@H](CN=c3cc(C(C)C)nc[nH]3)[C@H]2C1 |
C/C=C/C=C/C(=O)N[C@@H](C)C1CCN(C(=O)c2c(OC)cccc2[N+](=O)[O-])CC1 |
COc1ccc(I)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cn(C)nn1 |
CC(Cl)=CC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1coc(Br)c1 |
COc1cccc(F)c1CC(=O)NCC(C)(C)CN(C)C(=O)[C@H]1CCO[C@H](C)C1 |
CC#CC[C@@H](NC(=O)[C@H](C)OCCCC)C(=O)N1CC[C@H]2C[C@H]1C(=O)N2C |
Cc1cnc(CNc2ccc(NC(=O)[C@@H](CO)c3ccccc3)cn2)cn1 |
CC(C)CC(=O)NCCC(=O)N[C@@H](C)CC1CCN(C(=O)[C@H](C)CN(C)C)CC1 |
CCCC(CCC)C(=O)Nc1ccc(-c2cnc(C#N)c(F)c2)cn1 |
c1ccc(CCCCCCCN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 |
CC(C)[C@@H](N[C@@H](c1cc(Cl)ccn1)c1nnnn1C(C)(C)C)c1ccc(Cl)cc1 |
CCc1cnc(C(=O)N2C[C@H](C)C[C@H]2C(=O)NC[C@H](C)C2CCC2)nc1 |
COCc1cc([C@H](NC[C@@H]2CC23CCCCC3)c2nnnn2CCC2CC2)no1 |
C#CCC1(C(=O)N2C[C@H](C(=O)NCCSC)CCC2(C)C)CCCC1 |
C#Cc1ccc(C(=O)N[C@H](C)CN(C)C(=O)[C@H](C)C2CC2)cc1C |
C=C(C)CCC(=O)NCC(C)(C)CNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 |
CNc1cc(Cl)ccc1C(=O)N1CCN(CC(C)(C)NC(=O)C2(C)CCC2)CC1 |
C#Cc1ccc(C(=O)N2C[C@@H](OC)C[C@@H](NC(=O)[C@@H]3C[C@@H]4CC[C@H]3O4)C2)c(C)c1 |
CO[C@H](C(=O)NC[C@@H]1COCCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1)C1CC1 |
CCCCCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2CF)C(C(C)C)C1 |
COc1cc(Br)c(CCNC(=O)[C@H]2CCNC3(CCOCC3)C2)cc1OC |
CCCC[C@H](O)[C@@H](C)C(=O)N1CC=C[C@H](C(=O)NCC=C2CCSCC2)C1 |
Cc1cnc(CNC(=O)[C@@H]2C[C@H](F)CN(Cc3cc(Cl)cnc3F)C2)s1 |
Cc1cccc(N)c1C(=O)N1CC[C@@H](NC(=O)c2cc3c(Br)[nH]nc3s2)C1 |
CC=CC(=O)N1CCN(C(=O)Cc2ccc(F)cc2C(F)(F)F)[C@H](COC)C1 |
Cc1ncsc1-c1cn(C[C@H]2CN(C(=O)c3nc(C(C)(C)C)cs3)CCO2)nn1 |
Cc1ccc2c(c1)C[C@H](C(=O)N1CC[C@@](CF)(NC(=O)CCCCC(N)=O)C1)O2 |
CO[C@H]1CCN(S(=O)(=O)c2cccc(Cn3cnnc3)c2)C1(C)C |
CCCN(CCNC(=O)[C@H]1CCOC2(CCCCC2)C1)C(=O)CNC=O |
Cc1nc(C(=O)N[C@@H]2CC[C@H](N(C)C(=O)CN(C)C3CCC3)C2)ccc1Br |
Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](NC(=O)C(C)(F)F)[C@@H](F)C3)cs2)n1C |
CN(C(=O)c1cn(C2CCOCC2)nn1)C1CN(C(=O)C=Cc2nccs2)C1 |
Cc1cc(F)cc(CC(=O)N2CC[C@H](NC(=O)c3cnc(C)nc3)[C@@H](CO)C2)c1 |
CN1CCN(C(=O)[C@H]2COC(C)(C)C2)C[C@@H]1CNC(=O)C12CCC(F)(CC1)CC2 |
O=C(C[C@H]1CCCN1C(=O)c1ccc(O)c(F)c1)N=c1cc(CCO)[nH][nH]1 |
CC1(C(=O)N2CC[C@@H](CCC(=O)N3C[C@H]4[C@@H](C3)C4(C)C)C2)CC=CC1 |
Cn1cnc2nc(=NCCCP(C)(C)=O)[nH]c(NCC=CC3CC3)c21 |
Cc1[nH]nc(C(=O)N[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N[C@@H]2C[C@@H](C)N(C)C[C@H]2C)c1Cl |
CCn1c(CNC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C2CC2)cnc1C |
CC1(C)CC[C@H](NC(=O)C(=O)N2CCNC[C@@H]2CC#N)Cc2ccccc21 |
COc1ccc(C(=O)NC[C@@H](F)CNC(=O)[C@]2(C)CC=CCO2)cc1Br |
COc1ccc(C(=O)NC[C@@]23C[C@H]2CN(C(=O)C=Cc2cnccc2C)C3)cn1 |
COC(=O)[C@H]1CC12CN(C(=O)[C@@H]1CC[C@H]3CC[C@H]1N3C(=O)CCC(CF)CF)C2 |
Cc1cnoc1C1(C(=O)N2C[C@H](O)[C@H](NC(=O)Cn3nccn3)C2)CC1 |
CCS(=O)(=O)CC(=O)N1CC[C@@](CNC(=O)c2cc(Cl)ncc2O)(C(C)(C)C)C1 |
C[C@@H](CNC(=O)c1[nH]nc2c1COC2(C)C)NC(=O)c1cncc2cccnc12 |
Cc1ccc(F)cc1CNC(=O)C[C@H](CC(C)C)NC(=O)[C@@H]1COCCN1C |
C[C@H]1CC(C)(C)CN1C(=O)c1cc(CNC(=O)CC2(C)OCCO2)[nH]n1 |
CCC(C)=C(C)C(=O)NC[C@H]1CCN(C(=O)C[C@H]2OCCOC2(C)C)C1(C)C |
CN(C/C=C/C(=O)N(C)[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1F)CC(F)(F)F |
CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)N[C@H](C(=O)O)[C@H]2CCCCO2)c1 |
CCO[C@@H](C)C(=O)N1CCC2(CC(C(=O)N[C@@H]3CNC(=O)C3(C)C)C2)C1 |
CC(=O)NCCOCC(=O)N1CCN(C(=O)N2CCOCC2)CC1 |
C[C@@](O)(C(=O)N1CC[C@]2(CCN(C(=O)C=Cc3ncc[nH]3)C2)C1)C1CCCCC1 |
CC[C@@H](C)CCC(=O)NCCC1(CNC(=O)c2ccc(Cl)c(F)c2)CC1 |
CC(C)N(C(=O)CN(C)[C@H](C)CNC(=O)CCCn1ccnc1)C1CCCC1 |
CN(CCc1ccc(Cl)cc1)S(=O)(=O)c1cccnc1NC1CCS(=O)(=O)CC1 |
COc1ccccc1[C@H](O)C(=O)N(C)CCNC(=O)c1ccc(OC2CC2)cc1 |
Cc1coc(C)c1C(=O)NCC1(NC(=O)[C@H]2CCn3cncc3C2)CC1 |
O=C(NCCC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1F)c1ccncc1C1CC1 |
C[C@@H](N=c1[nH]c(=NCCN(C)CC(F)F)[nH]c2cccnc12)c1cnn[nH]1 |
COc1ccccc1[C@H](CNC(=O)CNC=O)NC(=O)C1(n2cccn2)CC1 |
C[C@H](CC(=O)N[C@@H](C)C1(C(=O)N2C[C@@H]3OC[C@H](CO)[C@@H]3C2)CC1)CC(C)(C)C |
COc1sccc1C(=O)NCC1[C@@H]2CN(C(=O)[C@]34CCCC[C@H]3C4(F)F)C[C@@H]12 |
COC[C@H]1CC[C@@H]1C(=O)N1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc(Cl)cnc1O |
C[C@@H]1SCCC[C@H]1C(=O)N1C[C@](C)(C(=O)NCC2(CN(C)C)CC2)CC1(C)C |
C[C@@H](CN1CCOCC1)C(=O)N(C)C[C@@H](C)N(C)C(=O)C(F)=C1CCCC1 |
Cc1nsc(CN=c2[nH]c3c(c(=NCc4ncoc4C(C)(C)C)[nH]2)COC3)n1 |
CCOCCOc1ccccc1C(=O)NCC[C@@H](C)NC(=O)[C@H](COC)OC |
C#CCN(CCC(=O)NC[C@H]1C[C@@H]1C(C)C)C(=O)CCC1CCCCC1 |
CCNC(=O)[C@@H](c1ccc(OCCCl)cc1)N1CCCC[C@@H]1COC(=O)N(C)C |
CN(C(=O)c1cc2sc(F)cc2[nH]1)C1CCN(C(=O)[C@@H]2CCCC(=O)N2C)CC1 |
CC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)c1cccn(C)c1=O |
C[C@H](CC1CC1)N(C)C(=O)C1=NO[C@@H](CNC(=O)[C@@H]2CCC(=O)N(C)C2)C1 |
CC(C)[C@H](C)[C@H](C)CC(=O)NC[C@@H]1CC(F)(F)CN1C(=O)[C@H](C)N1CCOCC1 |
C=CC[C@@](C)(CC)C(=O)N[C@H]1CN(C(=O)CSC(F)F)Cc2ccnn2C1 |
CCOCCCC(=O)N1CCC[C@H](NC(=O)c2cnoc2-c2cccs2)[C@H](F)C1 |
CCCN(CCNC(=O)c1cnc(C2CC2)[nH]1)C(=O)C1([C@@H]2CCCCO2)CCC1 |
CCCCSCC(=O)NC[C@H](C(=O)N[C@@H]1CCCc2occc21)N(C)C |
CC[C@H](C)C(=O)N1CCC[C@@]2(CCN(C(=O)c3ccc4nc(O)n(C)c4c3)C2)C1 |
CNc1scnc1C(=O)NCC(C)(C)C(=O)NCCc1ccncc1 |
C[C@@H](CN[C@]1(c2nnnn2C2CCCC2)CCNC(=O)CC1)c1ccc(F)cn1 |
O=C(CCc1cccs1)NCCNC(=O)C[C@@H]1NC(=O)NC1=O |
CC(C)[C@@H](CCNC(=O)C1=CCCC1)NC(=O)c1cccc2[nH]c(=N)oc12 |
NS(=O)(=O)c1cc(C(=O)N2CC3=C(C2)CN(C(=O)[C@H]2CCC(=O)N2)C3)ccc1F |
CC(=Cc1ccccn1)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)[C@@H](C1CC1)[C@@H]1CCCO1 |
Cc1cc(NC(=O)[C@H]2[C@@H]3C[C@@H]2N(Cc2ccc(Br)s2)C3)ncc1Br |
Cc1ccccc1COCC(=O)N(C)C[C@@H](O)CNC(=O)c1c(Cl)cccc1Cl |
CCc1cc(Br)ccc1CN1C[C@H]2C[C@@H]1[C@H]2C(=O)Nc1cnc(C#N)nc1 |
CCCCCS(=O)(=O)CC(=O)N(C)C1CN(C(=O)c2nn3c(c2C)OCCC3)C1 |
CC(=O)c1cc(C(=O)N(C)C2C[C@@H]3CC[C@H](C2)N3C(=O)CO[C@H]2CCOC2)co1 |
O=C(N[C@@H]1CCC[C@H](C(=O)Nc2ccc(Cl)c(O)c2)C1)c1ccc(O)c(O)c1Cl |
CC1(C)CC=C(C(=O)NC[C@@H]2CC[C@@H](NC(=O)Cc3cc(Cl)ccc3Cl)C2)CC1 |
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