smiles stringlengths 6 131 |
|---|
C[C@H](CCN(C)C(=O)CSCc1ccncc1)NC(=O)[C@@H]1CCCc2nn[nH]c21 |
CCn1ncc(Br)c1C(=O)N1CC[C@H](Cn2cc(-c3sccc3C)nn2)C1 |
COCCC1(NC(=O)CCC(C)(F)F)CCN(C(=O)c2cn(C3CC3)cn2)CC1 |
CN(C)Cc1ccsc1C(=O)NC1CC(CNC(=O)c2cccc3[nH]ncc23)C1 |
COCC=CC(=O)N[C@H](CCN(C)C)C(=O)N(C)CC1CC1 |
CN(C(=O)C[C@@H]1COCCO1)[C@H]1CCCN(C(=O)c2occc2Cl)C1 |
COC(=O)[C@H]1C[C@@H](NC(=O)C2([C@H]3CCCN3C(=O)CN(C)C(=O)C3CC3)CC2)C1 |
C=C[C@](C)(CC)C(=O)NC[C@@H](CO)CNC(=O)Cc1ccccc1OC |
CCC(C)(CC)CNC(=O)NCc1cc(O)c2ccccc2c1 |
CC#CCCCC(=O)N[C@]12CO[C@H](C1)[C@H](NC(=O)[C@H]1CCc3nncn3CC1)C2 |
CC(C)C[C@H](ONC(=O)[C@@H](C)CC1CCCC1)C(=O)N(C)[C@H](CO)C1CC1 |
C[C@@H]1CC[C@H](C(=O)NCC2(CNC(=O)c3ccnc(C(F)F)c3)CCCC2)O1 |
Cc1ncc(CC(=O)N[C@H]2COC[C@H]2n2cc(-c3cnn(C)c3C(N)=O)nn2)[nH]1 |
Cc1n[nH]c(C)c1C(=O)N[C@@H]1COC2(C1)CN(C(=O)CCc1ncc[nH]1)C2 |
Cc1nocc1C(=O)N1CCN(C(=O)c2cccc3c[nH]nc23)C[C@@H](O)C1 |
CCCCCn1nc([C@@H]2CCCO2)nc1-c1ccc(-c2nc[nH]n2)nc1 |
O=C(NC[C@H]1CCCC2(CN(C(=O)c3cnc4cc[nH]c4c3)C2)O1)c1cccs1 |
Cc1c(CCC(=O)NC[C@]2(C)CCCN2C(=O)[C@@H](C)C(F)(F)C(F)F)cnn1C |
CO[C@]1(C(=O)NCc2ncccc2O)CCN(C(=O)[C@H](O)CC(F)(F)F)C1 |
C=CCC(=O)N1CCN(C(=O)Cc2ccc(OC)c(O)c2)CC1 |
CCc1cc(CNC(=O)[C@H]2CN(C(=O)[C@@H](O)c3cncn3C)C[C@@H]2C(C)C)n[nH]1 |
CN(C[C@@H]1CCCCN1C(=O)C[C@@]1(C)CCCO1)C(=O)C(C)(C)N1CCCC1 |
Cn1cc(CCC(=O)NC2(CO)CN(C(=O)c3cnccn3)C2)cn1 |
C=C=CCC(=O)N1CC[C@H]([C@@H]2CCCN2C(=O)Cc2cn(C)nc2C)C1 |
CC(C)Cc1nccc(C(=O)N2C[C@H](O)[C@H](NC(=O)Cc3ccno3)C2)n1 |
C=C[C@H]1C[C@@]1(CO)CNC(=O)C[C@H](NC(=O)c1ncc(F)cc1C)C(F)F |
CN1CC[C@@](C)(C(=O)N[C@H](CC(=O)NC[C@H](O)C2CCCCC2)C2CC2)C1 |
CCC(CC)CC(=O)NC(C)(C)[C@H](C)CC(=O)NC[C@](C)(CC)COC |
Cc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)c2ccc(Cn3ccnn3)o2)CC[C@H]1C |
COC(=O)N[C@@H](C)C(=O)N[C@](C)(CNC(=O)c1n[nH]cc1OC)Cn1cccn1 |
CCn1cc(C(=O)NCC[C@@H]2CSCCN2C(=O)CCCc2cccnc2)cn1 |
O=C(CC[C@@H]1CC1(F)F)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2[nH]ccc2s1 |
CCOc1cc(C(=O)NC[C@@H](NC(=O)[C@@H]2CSCC(=O)N2)C(C)(C)C)ccc1C |
CNc1nsnc1C(=O)N1C[C@H]2CC[C@]2(C(=O)Nc2ccc3c(c2)ncn3C)C1 |
CC(=O)N(C)CC(=O)N[C@@H](C)C1(O)CCN(C(=O)[C@H]2C[C@](O)(C#N)C2)CC1 |
O=C([C@@H]1CCC[C@H](CF)C1)N1CC[C@@H](N(CCO)C(=O)c2ccc(CO)cc2)C1 |
CO[C@@H]1CCC[C@@H](C(=O)N2CC(CCNc3ncccc3S(C)(=O)=O)(OC)C2)C1 |
CC[C@H](SC)C(=O)N1CCC(CN(CC)C(=O)C(=O)c2ccccc2)CC1 |
C[C@]1(C(=O)N[C@@H]2CCN(C(=O)c3cc(Cl)c4c(c3)OCO4)C2)CC1(F)F |
CC1(C)C[C@]1(C#N)C(=O)N[C@H]1CCC[C@@H]1NC(=O)c1cccc(C#CC2CC2)c1 |
C#C[C@]1(O)C[C@@H](C(=O)N2C[C@H]3C[C@@]3(CNC(=O)Cc3nc(C)sc3C)C2)C1 |
CC1(C)CCCCC1=CC(=O)N1CC[C@H](N2CCN(C(=O)c3cc[nH]n3)CC2)C1 |
CSCC[C@@H](NC(=O)c1ccco1)C(=O)N(CCNC(=O)[C@H](C)C(C)C)C(C)C |
CO[C@@H]1CN(C(=O)Cc2ccns2)C[C@H]1NC(=O)c1c(C)ccc2nsnc12 |
COCC(COC)CC(=O)NC[C@@H]1C[C@H]1NC(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 |
CSCC[C@H](O)C(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)C(F)(F)C(F)(F)F |
O=C(CCOCC(F)F)NC1CC(CNC(=O)c2ccc(-n3cnnn3)cc2)C1 |
CC[C@@H]1C[C@H](NC(=O)c2cc(CNC(=O)C/C=C/C(C)(C)C)cs2)CCO1 |
CC[C@H](C)CC(=O)C(=O)N1CCc2cc(Br)c(Cl)cc21 |
C[C@H]1[C@@H](NC(=O)c2cc(Cl)cn2C)CCN1C(=O)Cn1cc(C(=O)N(C)C)nn1 |
CN(C[C@H](O)CF)S(=O)(=O)c1cccnc1NCCOc1ccccc1 |
CCc1ccc(C(=O)NC[C@](C)(CC)C(=O)N[C@@H](C)c2ncccc2F)cn1 |
CC[C@@H](CC(=O)N(C)C[C@@H]1CCO[C@@H]1C)N(C)C(=O)C1=CCCC[C@H]1C |
COc1ccc(Cl)cc1C(=O)NC[C@H](O)CNC(=O)CO[C@H](C)c1nccn1C |
CCCCCCCCCCCCCCCOC(=O)[C@@H](C(C)C)N(C)C |
C[C@H]1C[C@H](NC(=O)c2c(Cl)cccc2OC(F)F)CN1C(=O)c1cc[nH]c(=N)c1 |
O=C(NC1CC(n2cc(-c3ccc(Cl)nc3)nn2)C1)c1cccn2nnnc12 |
Cc1cc(C)c(C(=O)N2CCC(C)(NC(=O)c3cc(F)cnc3O)CC2)cc1N |
CN(CCCNC(=O)C=CBr)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C |
CCC=C(CCC)C(=O)N1CC2(C[C@H](NC(=O)[C@H](O)CN3CCOCC3)CO2)C1 |
CCC[C@@H](F)C(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)CC1 |
Cc1cccc(CC(=O)N[C@H]2CCCCC[C@H]2C(=O)N(CC(N)=O)CC(N)=O)c1 |
CCCCCC[C@](C)(CC)C(=O)N1C[C@@]2(CNC(=O)[C@@H](OC)C(C)C)C[C@H]1CO2 |
CCNC(=O)CC(=O)N(CCN(C)CCOCC(F)F)C(C)C |
C[C@H](CNC(=O)CCc1cccc(Cl)c1Br)NC(=O)CC(F)F |
CN1CC[C@@H](CCNC(=O)[C@@H]2CC[C@H]2NC(=O)CCc2csnn2)C1=O |
CN(C[C@]1(O)CCCN(C(=O)c2cn(C)cn2)C1)C(=O)c1cc(F)n(C)n1 |
CCOC(=O)[C@@]1(C)CN(C(=O)[C@H]2CCN(C)c3ccccc32)CCO1 |
C[C@@H](O)CC(=O)N[C@@H]1CCC[C@H](CC(=O)NOCC2CC2)C1 |
Cc1c(C(=O)N(C)CCCNC(=O)[C@@]2(O)CC2(C)C)cnn1C |
Cc1cccc(C(=O)N2C[C@H]3CC[C@@](NC(=O)[C@H]4C[C@H]5[C@@H](C4)C5(F)F)(C3)C2)c1Cl |
Cn1nc(C(=O)NC[C@@]2(C)CN(C(=O)CC3CC=CC3)CCO2)cc1C(C)(C)C |
Cc1ncc(CC(=O)NC[C@H]2CCCN2C(=O)[C@@]2(Cl)CC2(C)C)s1 |
O=C(CN1CC(=O)NC1=O)NC[C@H](OCC(F)(F)F)c1cccc(Cl)c1 |
COCC[C@H](C)C(=O)N1CCSC[C@H]1C(=O)N[C@H]1CC=C(C(C)C)CC1 |
COC(=O)[C@]1(C)CCN1C(=O)c1cnc(CNC(=O)C=CCN2CCCC2)nc1 |
CS(=O)(=O)[C@@H]1CCC[C@H]1Nc1nccc(=N[C@H]2CCc3cccc(Cl)c32)[nH]1 |
CO[C@H]1C[C@H](NC(=O)c2cc(C3CC3)n(C)n2)CN(C(=O)c2snc(C)c2N)C1 |
O=C(Nc1ccc(Br)nc1Br)[C@@H]1CN(C(=O)CN2C(=O)C=CC2=O)CC(F)(F)C1 |
Cc1oc(C(F)(F)F)nc1C(=O)N(C)[C@H]1CCCN(C(=O)[C@@H](C)n2cccc2)C1 |
C=C(C)[C@@H](CC(=O)N[C@@H](CNC(=O)CCc1ncccc1C)C(C)(C)C)OCC |
Cc1cc(Cl)c(C(=O)N(CCNC(=O)[C@H](O)c2cnc[nH]2)C(C)C)cc1F |
CC[C@]1(O)CCN(C(=O)[C@@H]2C=CCN2C(=O)c2cc(C)ccc2O)C1 |
CO[C@H](Cc1ccccc1)C(=O)NC[C@@H](C)N(C)c1nc(Cl)nc2c1ncn2C |
Cc1ccc(S(=O)(=O)N2CCC(C)(C(=O)NCC3CCN(C)CC3)CC2)cc1Cl |
CN(Cc1ncnn1C)C(=O)C/C=C/CNC(=O)[C@@H]1C[C@H](F)CN1C |
Cc1cccnc1[C@@H](C)NC(=O)[C@@H]1[C@H](CNC(=O)C2CCCCC2)C1(C)C |
CC[C@@H](C(=O)N(C)CC1(CNC(=O)[C@@H]2CCCCN(C)C2=O)CC1)C(C)(F)F |
CO[C@H](F)C(=O)N1CCC2(CC1)C[C@H]2CNC(=O)c1ccc(CC#N)cc1 |
C[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2(C)C)C1 |
CCC(CC)C(=O)N[C@@H](C)[C@H]1CCCCN1C(=O)CCn1cccnc1=O |
CCc1ccccc1CC(=O)N[C@@H](C)CNC(=O)Cn1nc(C)ccc1=O |
CCc1cnccc1C(=O)N1C[C@H]2C[C@@]2(NC(=O)c2ccc(C)cc2Br)C1 |
COc1cccc([C@H](C(=O)NC(C)C)N2[C@H]3C=C(c4cccs4)C[C@H]2CC3)n1 |
CCS(=O)(=O)c1cnc(O)c(C(=O)NCC2(CNC(=O)C[C@H](C)OC)CC2)c1 |
CC[C@H](SC)C(=O)N[C@@H]1CCCN(C(=O)c2cc(C)n(C(C)C)n2)[C@H]1CC |
CN1CC(=O)N(CCCC(=O)N[C@@H]2C[C@H]2NC(=O)c2cccc3c2OCC3)C1=O |
Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCN(C)C3)C[C@@H]2n2cccn2)s1 |
C=C1CC(C(=O)NC[C@@H]2CCC[C@@H](NC(=O)Cc3c(C)cccc3C)C2)C1 |
CCCC[C@@H](CNC(=O)CCc1cnn(C)c1C)NC(=O)C1=C(C)CCC1 |
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