10948 SMILES Strings for Beta-secretase 1

Compound Name
SMILES String
CCSc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:26|
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)CCc2ccc(O)c(O)c2)ccc1F |r,c:6|
[H]/N=C/1\N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(cc4F)F
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1cc(F)ccc1Cl |r|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1cc(Cl)ccc1F |r|
c1ccc2c(c1)ccc(n2)N
Nc1cccc(CCc2ccccc2)n1
Nc1cccc(CCc2ccc3cc[nH]c3c2)n1
COc1cccc(c1)-c1cccc(CCc2cccc(N)n2)c1
c1ccc(cc1)CNc2cccnc2N
Nc1ncccc1NCc1cccc(c1)-c1cccnc1
COc1cncc(c1)-c1cccc(CNc2cccnc2N)c1
CCCOc1cncc(c1)-c1cccc(CNc2cccnc2N)c1
Nc1ncccc1NCc1cccc(c1)-c1ccc2cc[nH]c2c1
Nc1ncccc1NCc1cc(ccc1OCc1ccccc1)-c1ccc2cc[nH]c2c1
Nc1ncccc1NCc1cc(ccc1OCc1ccccn1)-c1ccc2cc[nH]c2c1
c1ccc2c(c1)ccnc2N
c1cc(ccc1CC2CCNCC2)F
Cc1ccc(C)c(OC[C@@H](O)CN2CCOCC2)c1
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CN[C@@H](C)C(=O)NCC(C)C |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H](C)C(=O)NCC(C)C |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H](C)C(=O)NCC(C)C |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H](C)C(=O)NCC(C)C |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC(C)(C)C(=O)NCC(C)C |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1ccccc1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 |r|
CC(C)[C@H](NC(=O)CC[C@H](O)[C@@H]1CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccncc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCC[C@H](N)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCN([C@@H](C)C(=O)N1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 |r|
CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H](NC(=O)[C@@H]1C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
CNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O |r|
CCC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O |r|
CN(c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)Cc1ccccc1)S(C)(=O)=O |r|
CN(c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(O)Cc1ccccc1)S(C)(=O)=O |r|
CN(c1cc(cc(c1)C(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
CN(c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(O)c1ccccc1)S(C)(=O)=O |r|
CN(c1cc(cc(c1)C(=C)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
CN(c1cc(Cc2ccccc2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
CN(c1cc(cc(c1)C(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
CC(C)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O |r|
CN(c1cc(cc(c1)C(=O)C1CCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
CN(c1cc(\C=C\C2CC2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
CN(c1cc(\C=C/C2CC2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
CN(c1cc(CCC2CC2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
C[C@@H](NC(=O)c1cc(cc(c1)C1=NC(CO)(Cc2ccccc2)CO1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r,t:12|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)OCC(N)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)NC(CO)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(COC[C@@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(COC[C@](C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(COC(=O)[C@](C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(c1)C(=O)N(CC=C)CC=C)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(c1)-c1ccccc1C#N)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 |r|
C[C@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccc(F)cc1 |r|
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CSCC[C@H](NC(=O)OCn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CSC[C@H](NC(=O)OCn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r|
CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCn1nc(C)cc1C)C(C)C |r|
CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc1nc(C)oc1C)C(C)C |r|
CCCNC(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)N(C)S(C)(=O)=O |r|
CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NCc1nc(C)oc1C)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NCc1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NC(C)c1nc(C)oc1C)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)[C@@H](NC(=O)OCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC\C=C\COC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r,t:14|
CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)[C@@H](NC(=O)OCCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC\C=C\CCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r,t:14|
CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)[C@@H](NC(=O)OCCCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC\C=C\CCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r,t:14|
CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
CCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)C)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
CC(C)S(=O)(=O)N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)N[C@H](C)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(=O)(=O)N(C)C)c1ccccc1 |r|
C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1 |r|
CCCC[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O |r|
CCCC[C@H](N)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O |r|
C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CN)Cc1ccccc1 |r|
CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O |r|
C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CCC(F)(F)F |r|
CCCC[C@H](N)[C@H](Cc1ccsc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O |r|
C[C@H](N)[C@H](Cc1ccsc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O |r|
CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C |r|
CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(CCC)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C |r|
CCCN(c1cc(cc(n1)N(C)C[C@H]1C[C@@H]1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](C)N)S(C)(=O)=O |r|
COC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C |r|
COC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(=O)(=O)C(C)C)N(C)C[C@H]1C[C@@H]1C |r|
CCOC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(=O)(=O)C(C)C)N(C)C[C@H]1C[C@@H]1C |r|
COCCN(C[C@H]1C[C@@H]1C)c1cc(cc(n1)N(C)S(=O)(=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)COC |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CN)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
CC(C)CNC(=O)CNC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
CC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C |r|
CCC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C |r|
CC(C)CNC(=O)[C@H](CCO)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
CC(C)CNC(=O)[C@H](CCS(C)(=O)=O)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
CCNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
C[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NC1CC1 |r|
C[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
C[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)N1CCCC1C(O)=O |r|
CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(\C=C/[C@H]2C[C@@H]2C)cc(c1)N(C)S(C)(=O)=O |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
CC(C)C(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)N(C)S(C)(=O)=O |r|
CCCN(c1cc(\C=C/C2CC2C)cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)S(C)(=O)=O |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC=C)c1ccccc1 |r|
CC(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](C)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CC1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCC1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1)c1ccccc1 |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 |r|
C[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C)Cc1ccccc1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCC1)c1ccccc1 |r|
CNC(=O)c1cc(cc(c1)C(=O)NC(CO)Cc1cccc(OC)c1)N(C)S(C)(=O)=O
CN(c1cc2cc(c1)C(=O)NC(CO)Cc1cccc(OCCNC2=O)c1)S(C)(=O)=O
CC[C@H](NCC1Cc2cccc(OCCNC(=O)c3cc(cc(c3)C(=O)N1)N(C)S(C)(=O)=O)c2)C(=O)NCC(C)C |r|
CC[C@H](NCC1Cc2cccc(CCCCCc3cc(cc(c3)C(=O)N1)N(C)S(C)(=O)=O)c2)C(=O)NCC(C)C |r|
CC[C@H](NCC1Cc2cccc(CCCCc3cc(cc(c3)C(=O)N1)N(C)S(C)(=O)=O)c2)C(=O)NCC(C)C |r|
CCCC[C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1
Brc1ccc(N2CCOCC2)c(NC(=O)c2cccc3ccccc23)c1
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12
Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc3ccccc23)c1
Brc1ccc(N2CCNCC2)c(NC(=O)c2cccc3ccccc23)c1
OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12
O=C(Nc1cc(ccc1N1CCN(Cc2ccccc2)CC1)-c1ccccc1)c1cccc2ccccc12
O=C(Nc1cc(ccc1N1CCNCC1)-c1ccccc1)c1cccc2ccccc12
OCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
CCOC(=O)CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
O=C(Nc1cc(ccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1)-c1ccccc1)c1cccc2ccccc12
NCCCCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
O[C@@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 |r|
O[C@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 |r|
O=C(Nc1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1)-c1ccccc1)c1cccc2ccccc12
O=C(CCCCC1CCSS1)N1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
Brc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O
Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3oc2=O)c1
Brc1ccc(N2CCNCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1
OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O
COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCOCC3)c(=O)oc12
COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(CC3)C(=O)OC(C)(C)C)c(=O)oc12
COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)c(=O)oc12
COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCNCC3)c(=O)oc12
COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(CCO)CC3)c(=O)oc12
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1NC(=O)c1cc2ccccc2oc1=O)-c1ccccc1
O=C(Nc1cc(ccc1N1CCN(Cc2ccccc2)CC1)-c1ccccc1)c1cc2ccccc2oc1=O
O=C(Nc1cc(ccc1N1CCNCC1)-c1ccccc1)c1cc2ccccc2oc1=O
NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1)-c1ccccc1
NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:19:14:21:18.17.20,19:18:14.15.13:21,THB:17:18:13:16.15.21,17:16:13:18.19.20|
CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccccc3Cl)n2CC(=O)NC(N)=N)cc1
OCCCNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:23:18:25:22.21.24,23:22:18.19.17:25,THB:21:22:17:20.19.25,21:20:17:22.23.24|
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCC(O)=O |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCC(O)=O |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCC(O)=O |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCC(O)=O |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCCCC(O)=O |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:18.18,38.39,wD:31.32,28.30,41.46,(-9.78,5.32,;-8.44,4.55,;-7.11,5.32,;-5.78,4.55,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;-4.44,5.32,;-4.44,6.86,;-3.11,4.55,;-3.11,3.01,;-1.77,2.24,;-.44,3.01,;-.44,4.55,;-1.77,5.32,;.89,5.32,;.89,6.86,;2.23,4.55,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;4.89,4.55,;4.89,3.01,;6.23,5.32,;7.56,4.55,;7.56,3.01,;6.23,2.24,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCCCC(=O)OC |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)OC)OC |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCc1ccccc1 |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:18.18,37.38,wD:28.30,31.33,40.45,(-9.78,5.32,;-8.44,4.55,;-7.11,5.32,;-5.78,4.55,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;-4.44,5.32,;-4.44,6.86,;-3.11,4.55,;-3.11,3.01,;-1.77,2.24,;-.44,3.01,;-.44,4.55,;-1.77,5.32,;.89,5.32,;.89,6.86,;2.23,4.55,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;4.89,4.55,;4.89,3.01,;6.23,5.32,;7.56,4.55,;7.56,3.01,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
CCC[C@H](C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)C(=O)N(CCC)CCC)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:7.17,39.40,wD:3.3,5.5,42.47,(8.9,.7,;8.9,2.24,;7.56,3.01,;7.56,4.55,;6.23,5.32,;4.89,4.55,;4.89,3.01,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;2.23,4.55,;.89,5.32,;.89,6.86,;-.44,4.55,;-.44,3.01,;-1.77,2.24,;-3.11,3.01,;-3.11,4.55,;-1.77,5.32,;-4.44,5.32,;-4.44,6.86,;-5.78,4.55,;-7.11,5.32,;-8.44,4.55,;-9.78,5.32,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CCC(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:18.18,36.37,wD:28.30,39.44,(-9.78,5.32,;-8.44,4.55,;-7.11,5.32,;-5.78,4.55,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;-4.44,5.32,;-4.44,6.86,;-3.11,4.55,;-3.11,3.01,;-1.77,2.24,;-.44,3.01,;-.44,4.55,;-1.77,5.32,;.89,5.32,;.89,6.86,;2.23,4.55,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;4.89,4.55,;4.89,3.01,;6.23,5.32,;7.56,4.55,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:18.18,40.41,wD:31.32,28.30,43.48,(-9.78,5.32,;-8.44,4.55,;-7.11,5.32,;-5.78,4.55,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;-4.44,5.32,;-4.44,6.86,;-3.11,4.55,;-3.11,3.01,;-1.77,2.24,;-.44,3.01,;-.44,4.55,;-1.77,5.32,;.89,5.32,;.89,6.86,;2.23,4.55,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;4.89,4.55,;4.89,3.01,;6.23,5.32,;7.56,4.55,;7.56,3.01,;8.9,2.24,;8.9,.7,;10.23,3.01,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:18.18,43.45,wD:31.32,28.30,46.52,(-9.78,5.32,;-8.44,4.55,;-7.11,5.32,;-5.78,4.55,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;-4.44,5.32,;-4.44,6.86,;-3.11,4.55,;-3.11,3.01,;-1.77,2.24,;-.44,3.01,;-.44,4.55,;-1.77,5.32,;.89,5.32,;.89,6.86,;2.23,4.55,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;4.89,4.55,;4.89,3.01,;6.23,5.32,;7.56,4.55,;7.56,3.01,;8.9,2.24,;8.9,.7,;10.23,-.07,;11.56,.7,;11.56,2.24,;10.23,3.01,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O |r|
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CSC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CN(C1CCCCC1)C(=O)CCN2Cc3cc(ccc3N=C2N)C(=O)c4ccccc4
CN(C1CCCCC1)C(=O)c1cccc(CN2Cc3cc(Oc4ccccc4)ccc3N=C2N)c1 |c:34|
CN(C1CCCCC1)C(=O)CC[C@@H](C2CCCCC2)N3Cc4cc(ccc4N=C3N)Oc5ccccc5
CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38|
OC1=NC(=NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1ccccc1 |w:4.4,t:1|
O=C1NC2(CCN(Cc3ccccc3)CC2)C(NC2CCCCC2)=N1 |c:26|
CC(C)CCN1C(=O)N=C(NC2CCCCC2)C11CCN(Cc2ccccc2)CC1 |t:8|
O=C1N=C(NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1Cc1ccccc1 |t:2|
OC1=NC(=NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1cccc(F)c1 |w:4.4,t:1|
CC(=O)Nc1ccc(cc1)N1C(O)=NC(=NC2CCCCC2)C11CCN(Cc2ccccc2)CC1 |w:15.16,c:13|
OC1=NC(=NC2CCCCC2)C2(CCNCC2)N1c1cccc(F)c1 |w:4.4,t:1|
OC1=NC(=NC2CCCCC2)C2(CCN(CC2)c2ccc(F)cc2)N1c1cccc(F)c1 |w:4.4,t:1|
CC(=O)Nc1ccc(CN2CCC3(CC2)N(C(O)=NC3=NC2CCCCC2)c2cccc(F)c2)cc1 |w:20.22,c:18|
OC1=NC(=NC2CCCCC2)C2(CCN(Cc3cccc(c3)-c3ccccc3)CC2)N1c1cccc(F)c1 |w:4.4,t:1|
Cc1ccccc1-c1cccc(CN2CCC3(CC2)N(C(O)=NC3=NC2CCCCC2)c2cccc(F)c2)c1 |w:24.27,c:23|
Cc1ccc(Nc2cc(ncn2)-c2ccccc2)cc1NS(C)(=O)=O
CS(=O)(=O)Nc1cccc(Nc2cc(ncn2)-c2ccccc2)c1
CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Cl
CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Br
CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1F
COc1ccc(Nc2cc(ncn2)-c2ccccc2)cc1NS(C)(=O)=O
CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1-c1ccccc1
CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1CC=C
[O-][N+](=O)c1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Br
Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Br
CC(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1C
CN(c1cc(Nc2cc(ncn2)-c2ccccc2)ccc1C)S(C)(=O)=O
CN(C)c1ccccc1-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1
CN(C)c1ccc(cc1)-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1
Cc1ccc(Nc2cc(ncn2)-c2ccccc2C)cc1NS(C)(=O)=O
Cc1ccc(Nc2cc(ncn2)-c2ccc(cc2)-c2ccccc2)cc1NS(C)(=O)=O
Cc1ccc(Nc2cc(ncn2)-c2ccc(CCCO)cc2)cc1NS(C)(=O)=O
Cc1ccc(Nc2cc(ncn2)-c2ccc3OCCOc3c2)cc1NS(C)(=O)=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1 |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1)N1CCCCS1(=O)=O |r|
CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C)N1CCCCS1(=O)=O |r|
CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1)N1CCCCS1(=O)=O |r|
CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCCS1(=O)=O |r|
CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC)N1CCCCS1(=O)=O |r|
CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
CCOc1cc(cc(c1)C1=C(C)CCC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r,c:10|
CCOc1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
CCOc1cc(cc(c1)-c1ccccc1C#N)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCS1(=O)=O |r|
CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
CCCc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
CC(C)Nc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC(F)(F)F)c1)N1CCCCS1(=O)=O |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC(F)(F)F)c1)N1CCCCS1(=O)=O |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CCc2ccccc12)N1CCCCS1(=O)=O |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCc2ccc(OC)cc12)N1CCCCS1(=O)=O |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cnn(CC)c1)N1CCCCS1(=O)=O |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccco1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cn1cccn1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
CCNc1cc(N2CCCCS2(=O)=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
CCNc1cc(N2CCCCS2(=O)=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cnn(CC)c1 |r|
CCNc1cc(N2CCCCS2(=O)=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
CCNc1cc(N2CCCC2=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
CCNc1cc(cc(N2CCCC2=O)c1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
CCNc1cc(cc(N2CCCC2=O)c1OC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
CCNc1cc(cc(N2CCCCS2(=O)=O)c1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
CCNc1cc(cc(N2CCCCS2(=O)=O)c1OC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
CCn1cnc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
CCn1ccc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
CCc1c[nH]c2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
CCn1ncc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
CCn1nnc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
CCc1cn(C)c2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
CCc1coc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
CCc1ccnc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
CCn1c2cc(cc(N3CCCC3=O)c2[nH]c1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cncc(c1)C#N)N1CCCCS1(=O)=O |r|
CCN1CCN2CCS(=O)(=O)N(C)C3C=C(C=C1C23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r,c:14,t:16|
CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1)N1CCCCS1(=O)=O |r|
CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC(F)(F)F |r|
CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC(F)(F)F |r|
CCN1CCN2CCS(=O)(=O)N(C)C3C=C(C=C1C23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:14,t:16|
CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C |r|
CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 |r|
CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC |r|
CCc1cn2CCCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
CCc1cn2CCCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
CCc1cn2CCS(=O)(=O)Nc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
CCN1c2cc(cc3c(CC)cn(CCS1(=O)=O)c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
CCc1cn2CCS(=O)(=O)N(C(C)C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
CCc1cn2CCS(=O)(=O)N(CC(F)(F)F)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
CCN1c2cc(cc3c(CC)cn(CCS1(=O)=O)c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 |r|
CCN1c2cc(cc3c(CC)cn(CCS1(=O)=O)c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC(F)(F)F |r|
CC[C@@H](C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 |r|
CC[C@@H](C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCn3cc(CC)c(c1)c23 |r|
CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC#C |r|
CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC#C |r|
CCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 |r|
CCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCn3cc(CC)c(c1)c23 |r|
CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC#C |r|
CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
CCCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 |r|
CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCF |r|
CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCF |r|
CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)F |r|
CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)(F)C(F)(F)F |r|
CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)(F)F |r|
CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1 |r|
Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)COCC(N)=N1 |r,c:27|
Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:25|
Cc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:25|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)C#N |r,c:24|
CC1(CCSC(N)=N1)c1cccc(c1)C(=O)Nc1ccc(Cl)cn1 |c:6|
CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2cc3ccccc3s2)c1 |c:6|
CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C(F)(F)F |c:6|
CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |c:6|
CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 |c:6|
CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cc2)C#N)c1 |c:6|
CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1 |c:6|
COCc1cc(NC(=O)c2ccc(C)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:27|
COCc1cc(NC(=O)c2ccc(Br)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:27|
COCc1cc(NC(=O)c2ccc(Cl)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:27|
COCc1cc(NC(=O)c2ccc(F)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:27|
COCc1cc(NC(=O)c2ccc(cc2)C(F)(F)F)cc(c1)C1(C)CCSC(N)=N1 |c:30|
COCc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:31|
COCc1cc(NC(=O)c2ccco2)cc(c1)C1(C)CCSC(N)=N1 |c:25|
COCc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 |c:27|
CC1(CCSC(N)=N1)c1cccc(NC(=O)c2nc3ccccc3s2)c1 |c:6|
CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(F)cn2)c1 |c:6|
CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccco2)cc(c1)C(F)(F)F |c:6|
CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 |c:6|
C[C@@H](NC(=O)c1ccc(s1)C1(C)CCSC(N)=N1)c1ccccc1 |r,c:17|
CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2ccc(Br)cc2)c1 |c:6|
CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2nc3ccccc3s2)c1 |c:6|
CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2ccco2)c1 |c:6|
CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2ccc(Cl)cn2)c1 |c:6|
CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2cc3ccccc3s2)c1 |c:6|
CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)cc(c1)C(F)(F)F |c:6|
CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 |c:6|
NC1=NC(CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |t:1|
Cc1cc(C)c(o1)C(=O)Nc1cc(Br)cc(c1)C1(C)CCSC(N)=N1 |c:25|
CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |c:6|
CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl |c:6|
CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C(N)=O)c1 |c:6|
CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 |c:6|
Cc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CCSC(N)=N1 |c:24|
CC(C)Oc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 |c:28|
COc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 |c:26|
Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;-3.98,-.21,;-3.98,1.33,;-5.32,2.1,;-6.65,1.33,;-6.65,-.21,;-5.32,-.98,;-7.98,-.98,;-9.32,-1.75,;-10.65,-2.52,;3.16,-3.08,;4.7,-3.08,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:14.16,wD:5.5,2.1,c:21,t:17,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-3.98,-.21,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;3.16,-3.08,;4.7,-3.08,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;-3.98,-.21,;-3.98,1.33,;-5.32,2.1,;-5.32,3.64,;-6.65,1.33,;-6.65,-.21,;-5.32,-.98,;-7.98,-.98,;-9.32,-1.75,;3.16,-3.08,;4.7,-3.08,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;-3.98,-.21,;-5.32,-.98,;-6.65,-.21,;-6.65,1.33,;-5.32,2.1,;-5.32,3.64,;-3.98,1.33,;3.16,-3.08,;4.7,-3.08,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;-3.98,-.21,;-5.32,-.98,;-6.65,-.21,;-6.65,1.33,;-5.32,2.1,;-3.98,1.33,;-5.32,3.64,;-5.32,5.18,;-5.32,6.72,;3.16,-3.08,;4.7,-3.08,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;-3.98,-.21,;-3.98,1.33,;-5.32,2.1,;-5.32,3.64,;-6.65,1.33,;-6.65,-.21,;-5.32,-.98,;-7.98,-.98,;-9.32,-1.75,;3.16,-3.08,;4.7,-3.08,)|
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2O)cc1
COCOc1cc(O)ccc1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
COc1ccc(cc1)-c1nc(SCC(=O)Nc2nc(cs2)-c2ccccc2)[nH]c(=O)c1C#N
Oc1c(cnc2cc(ccc12)S(=O)(=O)Nc1cccc(c1)C(F)(F)F)C(=O)NCc1ccc2OCOc2c1
CCCOc1cccc(c1)-c1cc(Oc2ccccc2F)cc(c1)C#N
CCCCOc1cccc(c1)-c1cc(Oc2ccccc2F)cc(c1)C#N
CCCOc1cccc(c1)-c1cc(Oc2ccccc2)cc(c1)C(N)=N
CCCCOc1cccc(c1)-c1cc(Oc2ccccc2)cc(c1)C(N)=N
CCCOc1cccc(c1)-c1cc(Oc2ccccc2F)cc(c1)C(N)=N
CCCCOc1cccc(c1)-c1cc(Oc2ccccc2F)cc(c1)C(N)=N
Oc1cccc(c1)-c1cc(cc(c1)-c1cccc(O)c1)C#C
CC(C)CC1NC(=O)C(SCc2cccc(c2)C(F)(F)F)C1=O
CC(C)CC1NC(=O)C(SCC(=O)NCc2ccc3OCOc3c2)C1=O
CCC(C)C1NC(=O)C(SCc2cccc(c2)C(F)(F)F)C1=O
CCC(C)C1NC(=O)C(SCc2ccco2)C1=O
CCC(C)C1NC(=O)C(SCC(=O)NCc2ccc3OCOc3c2)C1=O
O=C1NC(Cc2ccccc2)C(=O)C1SCc1ccco1
O=C1OC(C(=O)C1Sc1ccccc1)c1ccccc1
O=C1OC(C(=O)C1SCCc1ccccc1)c1ccccc1
O=C1OC(CCc2ccccc2)C(=O)C1Sc1ccccc1
FC(F)(F)c1cccc(CSC2C(=O)OC(CCc3ccccc3)C2=O)c1
FC(F)(F)c1cccc(CN2CC(=O)C(Sc3ccccc3)C2=O)c1
COc1ccc(CN2CC(=O)C(Sc3ccccc3)C2=O)cc1
FC(F)(F)c1cccc(CSC2C(=O)CN(Cc3ccccc3)C2=O)c1
FC(F)(F)c1cccc(CSC2C(=O)CN(CCc3ccccc3)C2=O)c1
FC(F)(F)c1cccc(CSC2C(=O)CN(Cc3cccc(c3)C(F)(F)F)C2=O)c1
FC(F)(F)c1cccc(CSC2C(=O)CN(Cc3ccc4OCOc4c3)C2=O)c1
COc1ccc(CN2CC(=O)C(SCc3cccc(c3)C(F)(F)F)C2=O)cc1
O=C1CN(Cc2ccccc2)C(=O)C1SCCc1ccccc1
O=C1CN(CCc2ccccc2)C(=O)C1SCCc1ccccc1
FC(F)(F)c1cccc(CN2CC(=O)C(SCCc3ccccc3)C2=O)c1
O=C1CN(Cc2ccc3OCOc3c2)C(=O)C1SCCc1ccccc1
CC(C)CC1NC(=O)C(C1=O)S(=O)Cc1cccc(c1)C(F)(F)F
CC(C)CC1NC(=O)C(C1=O)S(=O)(=O)Cc1cccc(c1)C(F)(F)F
COc1ccc(CN2CC(=O)C(SCCc3ccccc3)C2=O)cc1
COc1ccc(cc1)C(Cc1ccc(cc1)C(F)(F)F)c1[nH]c(N)nc1C(O)c1ccccc1
Cn1cc(nc1N)C1(Cc2ccccc2)CCc2ccccc12
COc1ccc(cc1)C(Cc1cccc(Br)c1)c1cn(C)c(N)n1
COc1ccc(cc1)C(Cc1cccc(c1)-c1ccc(cc1Cl)C(F)(F)F)c1cn(C)c(N)n1
COc1ccc(cc1)C1(CCCCC1)c1cn(C)c(N)n1
COc1ccc(cc1)C(Cc1ccc(cc1)-c1ccc(=O)[nH]c1)c1cn(C)c(N)n1
COc1ccc2c(CCC2(Cc2cc(ccc2OC)[N+]([O-])=O)c2cn(C)c(N)n2)c1
COc1ccc2c(CCC2(Cc2ccc(nc2)C(F)(F)F)c2cn(Cc3ccccc3)c(N)n2)c1
COc1ccc2c(CCC2(Cc2ccc(nc2)C(F)(F)F)c2cn(CCCO)c(N)n2)c1
Cc1cc(C(=O)Nc2cccc(c2)[C@]2(C)CCSC(N)=N2)c(C)o1 |r,c:20|
Cc1cc(C(=O)Nc2cccc(c2)[C@]2(C)CCSC(N)=N2)c(C)s1 |r,c:20|
Cc1nc(C)c(s1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 |r,c:25|
CC1(CCSC(N)=N1)c1cccc(c1)N=C(NO)c1ncc(Cl)cc1Cl |w:14.15,c:6|
C\C=C\COc1ccc(nc1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:28|
CSc1ccc(s1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 |r,c:25|
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Br)s2)ccc1F |r,c:6|
COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CCSC(N)=N1 |c:28|
CC#CC(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:19|
C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(C=C)cn2)c1 |r,c:6|
COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:28|
CCCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CCSC(N)=N1 |c:28|
CCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:27|
CSCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:28|
C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCCC=C)cn2)c1 |r,c:6|
CC(C)COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:28|
C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCC(F)F)cn2)c1 |r,c:6|
COCCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 |r,c:29|
C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCC3CCO3)cn2)c1 |r,c:6|
C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCc3ccccc3)cn2)c1 |r,c:6|
C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2cnc(OCCC#C)cn2)c1 |r,c:6|
CC#CCCOc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:29|
CC(=C)COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:28|
C[C@]1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(OCc3ccc(F)cc3)cn2)c1 |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(OCCO)cn2)ccc1F |r,c:6|
COc1nc(Nc2ccc(F)c(c2)[C@]2(C)CCSC(N)=N2)nc(OC)n1 |r,c:20|
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-c2ccco2)ccc1F |r,c:6|
Cc1ccc(NC(=O)c2cnc(Cl)cn2)cc1C1(C)CCSC(N)=N1 |c:25|
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)COc2ccccc2O)ccc1F |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)CCc2cccc(N)c2)ccc1F |r,c:6|
Cc1cc(SCC(=O)Nc2ccc(F)c(c2)[C@]2(C)CCSC(N)=N2)nc(N)n1 |r,c:23|
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)CSc2nccc(O)n2)ccc1F |r,c:6|
COCCOCCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 |r,c:32|
Cc1cn2cc(ncc2n1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 |r,c:29|
CC1(C)C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ncccc2F)ccn1 |r,t:6|
C[C@@]1(N=C(N)SCC1(F)F)c1cc(NC(=O)c2ncccc2F)ccc1F |r,t:2|
Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1(F)F |r,t:21|
Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1(F)F |r,t:20|
CCCCc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1(F)F |r,t:24|
C[C@]1(CCSC(N)=N1)c1cc(Nc2ncc3ccccn23)ccc1F |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2coc(n2)C(F)(F)F)ccc1F |r,c:6|
Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC11CC1 |r,t:21|
COc1ncc(NC(=O)c2cnc(C)cn2)cc1[C@]1(C)CCSC(N)=N1 |r,c:26|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1=O |r,t:22|
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(NCC#N)cn2)ccc1F |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(NCC(F)(F)F)cn2)ccc1F |r,c:6|
CC1(CCSC(N)=N1)c1cccc(N\C(=N\O)c2ncc(Cl)cc2Cl)c1 |c:6|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 |r,c:19|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F |r,c:19|
COc1nc(nc(C)c1Cl)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1F |r,c:19|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)cccc1F |r,c:19|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 |r,c:19|
CCOc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 |r,c:20|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(C)n1)c1ccccc1 |r,c:3|
CCOc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 |r,c:21|
CCc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 |r,c:19|
CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 |r,c:20|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)c(F)cc1F |r,c:19|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(n1)C1CC1)c1ccccc1 |r,c:3|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(Cl)c(n1)C1CC1)c1ccccc1 |r,c:3|
CCc1nc(nc(C2CC2)c1Cl)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1 |r,c:22|
COc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 |r,c:20|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(C)n1)c1ccc(F)cc1 |r,c:3|
COc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F |r,c:20|
COc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F |r,c:20|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)cc(F)c(F)c1F |r,c:19|
CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 |r,c:20|
CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F |r,c:20|
CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F |r,c:20|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)cc(F)cc1F |r,c:19|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cccc(Cl)c1 |r,c:19|
COc1nc(nc(C2CC2)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F |r,c:22|
COc1nc(nc(C2CC2)c1Cl)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)ccc1F |r,c:22|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(n1)C1CC1)c1cc(F)ccc1F |r,c:3|
COc1nc(nc(C2CC2)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F |r,c:22|
COc1nc(nc(C2CC2)c1Cl)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F |r,c:22|
COc1nc(nc(c1F)C(C)(F)F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F |r,c:22|
COc1nc(nc(c1F)C(F)(F)F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F |r,c:22|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccccc1F |r,c:19|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1nc(C)c(F)c(n1)C1CC1)c1cccc(c1)C#N |r,c:3|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)c(Cl)c1F |r,c:19|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cccc(c1)C#N |r,c:19|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1c(F)ccc(F)c1F |r,c:19|
COc1nc(nc(CO)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1F |r,c:20|
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1Cl |r,c:19|
COc1nc(nc(C2CC2)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1ccc(F)cc1 |r,c:22|
CCc1nc(nc(OC)c1F)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(F)c(F)cc1F |r,c:20|
CC1(CCSC(N)=N1)c1cccc(OCC(=O)Nc2ccc(F)cc2)c1 |c:6|
Cc1ccc(NC(=O)COc2cccc(c2)C2(C)CCSC(N)=N2)cc1O |c:23|
Cc1ccc(NC(=O)COc2cccc(c2)C2(C)CCSC(N)=N2)cc1F |c:23|
CC1(CCSC(N)=N1)c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1 |c:6|
CC1(CCSC(N)=N1)c1cccc(OCC(=O)Nc2cccc(O)c2)c1 |c:6|
CC1(CCSC(N)=N1)c1cccc(OCCCc2ccccc2)c1 |c:6|
CCOC(=O)C=Cc1cccc(c1)C1(C)CCSC(N)=N1 |w:6.6,c:20|
CC1(CCSC(N)=N1)c1cccc(\C=C\c2ccc(Cl)cc2)c1 |c:6|
CC1(CCSC(N)=N1)c1cccc(OCCCc2ccc(Cl)cc2)c1 |c:6|
CC1(CCSC(N)=N1)c1cccc(C=CC(=O)Nc2ccc(Cl)cc2)c1 |w:13.13,c:6|
CCOC(=O)C(F)=Cc1cccc(c1)C1(C)CCSC(N)=N1 |w:5.4,c:21|
CC1(CCSC(N)=N1)c1cccc(C=Cc2ccc(Cl)cn2)c1 |w:13.13,c:6|
CC1(CCSC(N)=N1)c1cccc(C=CC(=O)Nc2ccc(Cl)cn2)c1 |w:13.13,c:6|
CC1(CCSC(N)=N1)c1ccc(F)c(NC(=O)c2ccc3ccccc3n2)c1 |c:6|
CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2cccs2)c1 |c:6|
CC1(CCSC(N)=N1)c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)ccc1F |c:6|
CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccccn2)c1 |c:6|
CC1(CCSC(N)=N1)c1cccc(NCc2ccc(Cl)cc2)c1 |c:6|
CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccco2)c1 |c:6|
CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(Cl)cn2)c1 |c:6|
CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccno2)c1 |c:6|
CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2nc3ccccc3s2)c1 |c:6|
Cc1cc(C(=O)Nc2cc(Br)cc(c2)C2(C)CCSC(N)=N2)c(C)o1 |c:21|
CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(Br)cc2)c1 |c:6|
C[C@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)n1 |r,c:6|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)n1 |c:6|
[NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Cl)cn2)n1 |t:1|
[NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Br)cn2)n1 |t:1|
Cc1cc(cnc1C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1)C#N |c:25|
NC(=S)c1ccc(nc1)C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1 |c:27|
Cc1cc(cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:25|
C[C@@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)n1 |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)n1 |r,c:7|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:26|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:26|
[NH3+]C1=NC(CF)(COC1)c1ccnc(NC(=O)c2ccc(Cl)cn2)c1 |t:1|
Cc1cc(cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC([NH3+])=N1)C(N)=S |c:25|
Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:26|
Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:26|
NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(Br)cn2)cnc1Cl |t:1|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2N)C#N)n1 |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(cc2Cl)C#N)n1 |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(Br)cc2Cl)n1 |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)n1 |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:7|
COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)c1 |r,c:24|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2N)C#N)ccc1F |r,c:7|
C[C@@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:7|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:30|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:7|
Cc1cc(OCF)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:29|
Cc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:26|
C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2c(ccc(n2)NC(=O)c3c(cc(cn3)C(F)(F)F)Cl)F
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ncc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)ncc1F |r,c:7|
Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)COC(CF)(CF)C(N)=N1)C#N |r,c:29|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(COCC(N)=N1)C(F)F)C#N |r,c:24|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(COCC(N)=N1)C(F)F)C#N |r,c:24|
NC1=N[C@](COC1)(C(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:1|
Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)n1 |r,c:23|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCCCF)nc2N)ccc1F |r,c:7|
COCCn1ccc2nc(C(=O)Nc3ccc(F)c(n3)[C@]3(C)CO[C@](C)(C(N)=N3)C(F)(F)F)c(N)nc12 |r,c:28|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nc3ccn(CC(F)F)c3nc2N)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nc3ccn(CC(F)F)c3cc2Cl)ccc1F |r,c:7|
COCCn1ccc2nc(C(=O)Nc3ccc(F)c(n3)[C@]3(C)CO[C@](C)(C(N)=N3)C(F)(F)F)c(Cl)cc12 |r,c:28|
COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CSC(N)=N1)C1CCCCC1 |c:23|
NC1=NC(CS1)(C1CCCCC1)c1cccc(NC(=O)c2ccc(O)cn2)c1 |t:1|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:2,6|
[#6]\[#6](-[#6])=[#6]-1/[#6][C@]([#6])([#7]=[#6](-[#7])-[#16]-1)c1cc(-[#7]-[#6](=O)-c2cnc(-[#6])cn2)ccc1F |r,t:7|
[#6]-[#8]-c1cnc(cn1)-[#6](=O)-[#7]-c1ccc(F)c(c1)[C@]1([#6])[#6]\[#6](-[#16]-[#6](-[#7])=[#7]1)=[#6](/[#6])-[#6] |r,c:26|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SC=C1C |r,c:26,t:22|
CC1=CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(C)cn2)ccc1F |r,c:5,t:1|
CC1=CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,c:5,t:1|
COCCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:25,29|
Cc1cc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)C=CSC(N)=N2)n(C)n1 |r,c:17,21|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-c2ncco2)ccc1F |r,c:2,6|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)-c2ccc[nH]2)ccc1F |r,c:2,6|
Cc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CCSC(N)=N1)C(F)(F)F |c:23|
NC1=NC(CCS1)(c1cccc(NC(=O)c2cnc(OCCF)cn2)c1)C(F)(F)F |t:1|
NC1=NC(CCS1)(c1cccc(NC(=O)c2ccc(cn2)C#N)c1)C(F)(F)F |t:1|
COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CCSC(N)=N1)C(F)(F)F |c:24|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:27|
Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:26|
NC1=NC(CS1)(c1cccc(F)c1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 |t:1|
COc1ccc(cc1O)C1(CSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 |c:14|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:2,6|
Cn1ccnc1COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:29,33|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(OCc3ncc[nH]3)cn2)ccc1F |r,c:2,6|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cc3NCCn3n2)ccc1F |r,c:2,6|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(NS(C)(=O)=O)cn2)ccc1F |r,c:2,6|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2cncn2)ccc1F |r,c:2,6|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2ccnn2)ccc1F |r,c:2,6|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2nccn2)ccc1F |r,c:2,6|
Cc1ncnn1-c1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:27,31|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:2,6|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F |r,c:2,6|
Cc1c(oc2ccc(Br)cc12)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:26,30|
COc1cnc(cn1)C(=O)Nc1cnc(Cl)c(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:27|
C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ncc(cc2F)C#N)cnc1Cl |r,c:7|
COc1cnc(cn1)C(=O)Nc1cnc(C)c(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:27|
COc1cnc(cn1)C(=O)Nc1cncc(c1)[C@]1(C)CC(=C)SC(N)=N1 |r,c:26|
C[C@]1(CC(=C)SC(N)=N1)c1cncc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)c1 |r,c:7|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C1NCCN(Cc2ccccc2)C1=O)N(C)S(C)(=O)=O)c1ccccc1 |r|
CN(Cc1csc(C)n1)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C1NCCN(Cc2ccccc2)C1=O |r|
COc1cccc(C[C@@H]2CC[C@@H](N2)[C@@H](O)CNC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1 |r|
Cc1csc(n1)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
CC(C)CN1CCN[C@@H]([C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(c2)C(=O)N2CCC[C@@H]2c2nc(C)cs2)C1=O |r|
COc1ccc(CN2CCN[C@@H]([C@@H](O)[C@H](Cc3ccccc3)NC(=O)c3cccc(c3)C(=O)N3CCC[C@@H]3c3nc(C)cs3)C2=O)cc1 |r|
CC(C)CN1CCN[C@@H]([C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C1=O |r|
COc1ccc(CN2CCN[C@@H]([C@@H](O)[C@H](Cc3ccccc3)NC(=O)c3cc(cc(c3)C(=O)N[C@H](C)c3ccccc3)N(C)S(C)(=O)=O)C2=O)cc1 |r|
COc1cccc(CN2CCN[C@@H]([C@@H](O)[C@H](Cc3ccccc3)NC(=O)c3cccc(c3)C(=O)N3CCC[C@@H]3c3nc(C)cs3)C2=O)c1 |r|
COc1cccc(CN2CCN[C@@H]([C@@H](O)[C@H](Cc3ccccc3)NC(=O)c3cc(cc(c3)C(=O)N[C@H](C)c3ccccc3)N(C)S(C)(=O)=O)C2=O)c1 |r|
COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 |c:30|
CN1C(=O)CC(C)(N=C1N)c1cccc(NC(=O)c2cnc(OCC#C)cn2)c1 |c:7|
CC#CCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 |c:30|
CN1C(=O)CC(C)(N=C1N)c1cccc(NC(=O)c2cnc(Cl)cn2)c1 |c:7|
COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 |c:27|
COc1cnc(cn1)C(=O)Nc1cccc(CNc2cccnc2N)c1
COCCOc1cnc(cn1)C(=O)Nc1cccc(CNc2cccnc2N)c1
Nc1ncccc1NCc1cccc(NC(=O)c2cnc(OCC#C)cn2)c1
CC#CCOc1cnc(cn1)C(=O)Nc1cccc(CNc2cccnc2N)c1
C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NC2CCc3cc(Cl)cnc23)ccc1F |r,t:2|
C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F |r,t:2|
C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NC2CCOC2)ccc1F |r,t:2|
C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NC2CCCOC2)ccc1F |r,t:2|
C[C@@]1(N=C(N)COC[C@@H]1F)c1cc(NC2CCOCC2)ccc1F |r,t:2|
C[C@@]1(N=C(N)COCC1(F)F)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F |r,t:2|
CC[C@@]1(N=C(N)COCC1(F)F)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F |r,t:3|
C[C@@]1(N=C(N)COCC1(F)F)c1cc(N[C@H]2CCc3cc(Cl)cnc23)ccc1F |r,t:2|
C[C@@]1(N=C(N)COCC1(F)F)c1cc(N[C@@H]2CCc3cc(Cl)cnc23)ccc1F |r,t:2|
C[C@@]1(N=C(N)COCC1(F)F)c1cc(Nc2ccc(cc2)C#N)ccc1F |r,t:2|
CC1(C)OCC(N)=N[C@](C)(c2cc(N[C@H]3CCc4cc(cnc34)C#N)ccc2F)C1(F)F |r,c:6|
CC1(C)OCC(N)=N[C@](C)(c2cc(N[C@@H]3CCc4cc(cnc34)C#N)ccc2F)C1(F)F |r,c:6|
CC1(C)OCC(N)=N[C@](C)(c2cc(NC3CCc4cc(Cl)cnc34)ccc2F)C1(F)F |r,c:6|
CC1(C)OCC(N)=N[C@](C)(c2cc(NC3COc4cc(Cl)cnc34)ccc2F)C1(F)F |r,c:6|
CC1(C)OCC(N)=N[C@](C)(c2cc(NC3CCCc4cc(cnc34)C#N)ccc2F)C1(F)F |r,c:6|
CC1(C)OCC(N)=N[C@](C)(c2cc(NC3COc4cc(Cl)ccc34)ccc2F)C1(F)F |r,c:6|
Cn1ccc(Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)COC(C)(C)C2(F)F)n1 |r,t:16|
CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3ccc(F)cc3)ccc2F)C1(F)F |r,c:6|
CC1(C)OCC(N)=N[C@](C)(c2cc(N[C@H]3CCc4cc(cnc34)C#N)c(F)cc2F)C1(F)F |r,c:6|
CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3ccc(Cl)nc3)ccc2F)C1(F)F |r,c:6|
CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3cncc(F)c3)ccc2F)C1(F)F |r,c:6|
CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3cccnc3)ccc2F)C1(F)F |r,c:6|
COc1ccc(Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)COC(C)(C)C2(F)F)cn1 |r,t:17|
CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3cncc(c3)C(F)(F)F)ccc2F)C1(F)F |r,c:6|
Cc1ccc(Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)COC(C)(C)C2(F)F)cn1 |r,t:16|
CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3ccc(OCC(F)(F)F)nc3)ccc2F)C1(F)F |r,c:6|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r,t:2|
C[C@]1([C@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C(F)F)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ncc(cc2F)C(F)(F)F)ccc1F |r,t:2|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1F |r,t:22|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#CC2CC2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F |r,t:2|
Cc1cc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)OC[C@@H]2F)c(C)o1 |r,t:17|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCC(F)F)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)F)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C2CC2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC3CC3)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)(F)C(F)F)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)(F)C(F)(F)F)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(Cl)s2)ccc1F |r,t:2|
Cn1nc(cc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1F)C(F)(F)F |r,t:20|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2[nH]ncc2Cl)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cncs2)ccc1F |r,t:2|
Cc1cc(nn1C)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1F |r,t:21|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)C2(CC2)C#N)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)C2CC2)ccc1F |r,t:2|
C[C@]1([C@@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:2|
C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ncccc2OCC(F)(F)F)ccc1F |r,c:6|
C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6|
C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:6|
C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,c:6|
C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:6|
C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:6|
C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2nn(CC(F)F)cc2Cl)ccc1F |r,c:6|
C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)C2CC2(F)F)ccc1F |r,c:6|
C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F |r,t:2|
CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@]1(C)F |r,t:25|
NC1=N[C@@](CF)([C@@H](F)CO1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H](F)CO1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,t:1|
Cl.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1ccccc1 |r,t:1|
CI.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccs1 |r,t:2|
Cl.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1ccns1 |r,t:1|
Cl.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncccn1)c1ccc(F)s1 |r,t:1|
Cl.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1ccc(s1)C#N |r,t:1|
Cl.NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1ccc(F)s1 |r,t:1|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccco2)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 |c:6|
C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br
C[C@@]1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 |r,c:6|
Cc1nc(co1)C(=O)Nc1cccc(c1)C1(C)COCC(N)=N1 |c:23|
Cc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)COCC(N)=N1 |c:24|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2ncc(Br)cn2)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2cn3ccccc3n2)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2ncccc2F)c1 |c:6|
Cc1nc(C(=O)Nc2cccc(c2)C2(C)COCC(N)=N2)c(C)o1 |c:20|
Cc1nc(cs1)C(=O)Nc1cccc(c1)C1(C)COCC(N)=N1 |c:23|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(O)nn2)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccccn2)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2cnc(cn2)-n2ccc(n2)C(F)(F)F)c1 |c:6|
Cc1ccn(n1)-c1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)COCC(N)=N1 |c:30|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)c1 |c:6|
COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)COCC(N)=N1 |c:25|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2cnc(O)cn2)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2cc(Br)co2)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2coc(c2)C(F)(F)F)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cc2)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(NC(=O)C2CCCCC2)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(NC(=O)C2CCC(F)(F)CC2)c1 |c:6|
Cc1ccc(nc1)C(=O)Nc1cccc(c1)C1(C)COCC(N)=N1 |c:24|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2cccnc2)c1 |c:6|
Cc1cc(Br)cnc1C(=O)Nc1cccc(c1)[C@]1(C)COCC(=N)N1 |r|
COc1ccc(nc1)C(=O)Nc1cccc(c1)[C@]1(C)COCC(N)=N1 |r,c:25|
NC1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 |t:1|
NC1=NC(CF)(COC1)c1cc(Cl)cc(NC(=O)c2ccc(Br)cn2)c1 |t:1|
NC1=N[C@@](CF)(COC1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 |r,t:1|
NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1 |t:1|
NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |t:1|
NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 |t:1|
Cc1cc(Br)cnc1C(=O)Nc1cccc(c1)C1(COCC(N)=N1)C(F)F |c:24|
Cc1cnc(cn1)C(=O)Nc1cccc(c1)C1(COCC(N)=N1)C(F)F |c:23|
NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 |t:1|
NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)c1 |t:1|
Cc1cc(Cl)cnc1C(=O)Nc1cccc(c1)C1(COCC(N)=N1)C(F)F |c:24|
NC1=NC(COC1)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |t:1|
NC1=NC(COC1)(C(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r,t:1|
Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:24|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:25|
NC1=NC(COC1)(c1cccc(NC(=O)c2ccc(Br)cn2)c1)C(F)(F)F |t:1|
C[C@]1(COCC(N)=N1)c1cc(Br)cc(NC(=O)c2ncc(Br)cn2)c1 |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(Br)cn2)c1 |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(cn2)C#N)c1 |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 |r,c:6|
Cc1cc(Br)cnc1C(=O)Nc1cc(Br)cc(c1)[C@]1(C)COCC(N)=N1 |r,c:26|
C[C@]1(COCC(N)=N1)c1cc(Br)cc(NC(=O)c2ccc(Cl)cn2)c1 |r,c:6|
Cc1cnc(cn1)C(=O)Nc1cc(Br)cc(c1)[C@]1(C)COCC(N)=N1 |r,c:25|
Cc1nc(C(=O)Nc2cc(Br)cc(c2)[C@]2(C)COCC(N)=N2)c(C)o1 |r,c:21|
Cc1nc(co1)C(=O)Nc1cc(Br)cc(c1)[C@]1(C)COCC(N)=N1 |r,c:24|
CC1(COCC(N)=N1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |c:6|
Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)C1(C)COCC(N)=N1 |c:25|
CC1(COCC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |c:6|
CC1(COCC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |c:6|
Cc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)C1(C)COCC(N)=N1 |c:26|
CC1(COCC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C(N)=O)ccc1F |c:6|
C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2cccc(c2)NC(=O)c3ccc(cn3)Br
COc1ccc(nc1)C(=O)Nc1cccc(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:26|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,c:7|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:27|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cn2)C#N)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F |r,c:7|
Cc1cc(cnc1C(=O)Nc2ccc(c(c2)[C@@]3(CO[C@@](C(=N3)N)(C)C(F)(F)F)C)F)C#N
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:7|
COCCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:30|
C[C@H]1OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:5|
C[C@@H]1OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:5|
C[C@H]1OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,c:5|
C[C@@H]1OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,c:5|
CC1(C)OCC(N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |c:6|
CC1(C)OCC(N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |c:6|
NC1=NC(COC1)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)c(F)cc1F |t:1|
NC1=NC(COC1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)c(F)cc1F |t:1|
COc1cc(Br)cnc1C(=O)Nc1cc(c(F)cc1F)C1(COCC(N)=N1)C(F)F |c:27|
NC1=NC(COC1)(C(F)F)c1cc(NC(=O)c2ncc(Br)cc2O)c(F)cc1F |t:1|
NC1=N[C@@](CF)(COC1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:1|
NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |t:1|
NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |t:1|
NC1=NC(CF)(COC1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |t:1|
NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |t:1|
Cc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)C1(CF)COCC(N)=N1 |c:27|
Cc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)COCC(N)=N1 |r,c:27|
NC1=N[C@@](CF)(COC1)c1cc(NC(=O)c2ncc(Br)cc2O)ccc1F |r,t:1|
COc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)COCC(N)=N1 |r,c:28|
NC1=N[C@](CCOC1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
NC1=N[C@](CCOC1)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,t:1|
NC1=NC(CCOC1)(c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F)C(F)(F)F |t:1|
NC1=NC(CCOC1)(c1cc(NC(=O)c2ccc(Br)cn2)ccc1F)C(F)(F)F |t:1|
CC1(N=C(N)COCC1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |t:2|
CC1(N=C(N)COCC1(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |t:2|
NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2cc(Br)co2)c1 |t:1|
NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2ccc(O)nn2)c1 |t:1|
Cc1nc(co1)C(=O)Nc1cccc(c1)C1(COCC(N)=N1)C(F)F |c:22|
CCc1nc(co1)C(=O)Nc1cccc(c1)C1(COCC(N)=N1)C(F)F |c:23|
Cc1nc(C(=O)Nc2cccc(c2)C2(COCC(N)=N2)C(F)F)c(C)o1 |c:19|
COc1cc(Br)cnc1C(=O)Nc1cccc(c1)C1(COCC(N)=N1)C(F)F |c:25|
NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2ncc(Br)cc2O)c1 |t:1|
COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(COCC(N)=N1)C(F)F |c:27|
NC1=NC(COC1)(C(F)F)c1cccc(NC(=O)c2cnc(cn2)C(F)F)c1 |t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r,t:1|
Cc1c(oc2ccc(Br)cc12)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:29|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Br)cc2Cl)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Br)cc2O)ccc1F |r,t:1|
CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:26|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cnc(OCC(F)F)cn2)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cc(Br)co2)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cc3ccccn3n2)ccc1F |r,t:1|
Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:23|
Cc1nc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(C)o1 |r,c:20|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cn3ccccc3n2)ccc1F |r,t:1|
COc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:26|
CCc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:24|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C(F)F)ccc1F |r,t:1|
Cn1ccnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:23|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(O)nn2)ccc1F |r,t:1|
COCCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:28|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F |r,t:1|
Cc1cc(n[nH]1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:23|
Cc1ccc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:24|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cnc(O)cn2)ccc1F |r,t:1|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:25|
Cc1nc(cs1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:23|
Cc1cnc(s1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:23|
Cn1ccc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:23|
Cn1cc(c(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)[N+]([O-])=O |r,c:23|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2N)ccc1F |r,c:7|
CC1(N=C(N)COCC1(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |t:2|
COc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)C1(C)N=C(N)COCC1(F)F |t:23|
CC1(N=C(N)COCC1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |t:2|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cc3cncnc3[nH]2)ccc1F |r,t:1|
COCCOc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(N)n1 |r,c:25|
CCc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:25|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Cl)cc2N)ccc1F |r,t:1|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(Cl)c1 |r,c:22|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(=O)[nH]c2)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cc3cccn3cn2)ccc1F |r,t:1|
CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:28|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Br)cc2N)ccc1F |r,t:1|
CCn1ccnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:24|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,t:1|
Cc1nc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(N)o1 |r,c:20|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(Cl)cc2O)ccc1F |r,t:1|
CC(C)Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:27|
CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:26|
CN(C)Cc1ccc2oc(C(=O)Nc3ccc(F)c(c3)[C@@]3(COCC(N)=N3)C(F)F)c(C)c2c1 |r,c:26|
Cc1c(nnn1C)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:24|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(C)n1 |r,c:22|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(N)n1 |r,c:22|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:28|
Cc1cc(OCF)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:27|
COCCOc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(C)n1 |r,c:25|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(OC)c1 |r,c:22|
COCCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:28|
COCCOc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(F)c1 |r,c:25|
CC#CCOc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(C)n1 |r,c:25|
COCc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)c(Cl)c1 |r,c:23|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(OCF)cc2Cl)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ncc(CC(F)F)cc2Cl)ccc1F |r,t:1|
COc1cccc2c1OCC[C@]21CNC[C@H]1C(=O)N1CC[C@H](C[C@H]1C1CCCC(F)(F)C1)c1ccccc1 |r|
CC(C)[C@@H]1C[C@@H](CCN1C(=O)[C@@H]1CNC[C@]11CCCc2ccccc12)c1ccccc1 |r|
COC(C)(C)C1CCCCN1C(=O)[C@@H]1CNC[C@@]11CCCc2ccccc12 |r|
Clc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CCC(CC2)c2ccccc2)c1 |r|
O=C([C@@H]1CNC[C@]11CCc2ccccc12)N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1 |r|
Brc1ccc2c(CC[C@]22CNC[C@H]2C(=O)N2CCC(CC2)c2ccccc2)c1 |r|
CC(C)c1cccc2c1CCC[C@]21CNC[C@H]1C(=O)N1CCC(CC1)c1ccccc1 |r|
O=C([C@@H]1CNC[C@]11CCSc2ccccc12)N1CCC(CC1)c1ccccc1 |r|
CCc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CCC(CC2)c2ccccc2)c1 |r|
Clc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CCC3(CC2c2ccccc2)C=Cc2ccccc32)n1 |r,c:32|
Cc1cccc(c1)C1CC(CCN1C(=O)C1CNC[C@]11CCCc2nc(Cl)ccc12)c1ccccc1 |r|
Cn1nc(cc1F)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:14|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(F)cn1)c1ccc(F)cc1F |t:1|
Cn1cc(ccc1=O)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1cn2cccnc2n1)c1ccc(F)cc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1cnn(CC(F)(F)F)c1)c1ccc(F)cc1F |t:1|
Cc1nc(no1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:13|
Cc1ccc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |r,c:14|
Cn1cc(F)c(n1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:14|
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1ccc(F)cc1F |c:4|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1nc2cnccc2o1)c1ccc(F)cc1F |t:1|
COc1cnc(nc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
Cn1ncc(n1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:13|
Cc1cc(on1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1nc(co1)C(F)F)c1ccc(F)cc1F |t:1|
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cnn(C)c1)c1ccc(F)cc1F |c:4|
Cc1ncc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:14|
Cn1cc(nn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:13|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1nc(co1)C#N)c1ccc(F)cc1F |t:1|
Cc1cnc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:14|
Cc1cnc(cn1)[C@@H]1C[C@@H]2CSC(N)=N[C@@]2(CO1)c1ccc(F)cc1F |c:14|
CCOc1cc(nn1C)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:16|
Cn1cc(cn1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1nc2ccncc2o1)c1ccc(F)cc1F |r,t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1cncnc1)c1ccc(F)cc1F |r,t:1|
COc1cc(ccn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |r,c:15|
COc1cncc(c1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |r,c:15|
Cc1cc(ccn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |r,c:14|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc2nccn2c1)c1ccc(F)cc1F |r,t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1cncc(F)c1)c1ccc(F)cc1F |r,t:1|
CC1=NC2(CCOc3ccc(cc23)-c2cc(Cl)cc(Cl)c2)N=C1N |c:24,t:1|
CC1=NC2(CCOc3ccc(cc23)-c2cncc(Cl)c2)N=C1N |c:23,t:1|
CC1=NC2(CCOc3ccc(cc23)-c2cc(F)cc(F)c2)N=C1N |c:24,t:1|
CC1=NC2(CCOc3ccc(cc23)-c2cc(C)cc(C)c2)N=C1N |c:24,t:1|
COc1ccc(OC)c(c1)-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:23,t:19|
CC1=NC2(CCOc3ccc(cc23)-c2cccc(F)c2F)N=C1N |c:24,t:1|
CC1=NC2(CCOc3ccc(cc23)-c2cc(C)ccc2C)N=C1N |c:24,t:1|
COc1ccc(F)cc1-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:22,t:18|
COc1cccc(c1F)-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:22,t:18|
COc1ccc(C)cc1-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:22,t:18|
CC1=NC2(CCOc3ccc(cc23)-c2cc(C)ccc2F)N=C1N |c:24,t:1|
COc1ccc(F)c(c1)-c1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:22,t:18|
CC1=NC2(CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)N=C1N |c:26,t:1|
CC1=NC2(CCOc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc23)N=C1N |c:29,t:1|
CC#CCOc1ccc(nc1)C(=O)Nc1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:27,t:23|
CC#CCOc1cnc(cn1)C(=O)Nc1ccc2OCCC3(N=C(C)C(N)=N3)c2c1 |c:27,t:23|
CC1=NC2(CCOc3ccc(NC(=O)c4ccc(C)s4)cc23)N=C1N |c:25,t:1|
CC1=NC2(CCOc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc23)N=C1N |c:27,t:1|
CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)OC(F)F |c:4,t:1,(-2.89,3.64,;-2.12,2.3,;-2.6,.84,;-1.35,-.07,;-.1,.84,;-.58,2.3,;.19,3.64,;-2.6,-.97,;-4.1,-.65,;-5.13,-1.79,;-6.62,-1.4,;-4.66,-3.26,;-3.15,-3.58,;-2.12,-2.44,;-.58,-2.44,;-.1,-.97,;.67,-2.3,;2.21,-2.3,;2.98,-.97,;2.21,.36,;.67,.36,;4.52,-.97,;5.29,-2.3,;4.52,-3.64,;6.62,-3.07,)|
CO[C@H]1CC[C@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1 |r,wU:2.1,wD:5.5,c:21,t:17,(5.88,-3.04,;5.11,-1.7,;3.57,-1.7,;2.8,-3.04,;1.26,-3.04,;.49,-1.7,;-.41,-2.95,;-1.88,-2.47,;-3.21,-3.24,;-4.55,-2.47,;-4.55,-.93,;-5.88,-.16,;-3.21,-.16,;-1.88,-.93,;-.41,-.46,;-1.66,.45,;-1.18,1.91,;-1.95,3.24,;.36,1.91,;1.13,3.24,;.83,.45,;1.26,-.37,;2.8,-.37,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:21,t:17,(5.88,-3.04,;5.11,-1.7,;3.57,-1.7,;2.8,-.37,;1.26,-.37,;.49,-1.7,;-.41,-2.95,;-1.88,-2.47,;-3.21,-3.24,;-4.55,-2.47,;-4.55,-.93,;-5.88,-.16,;-3.21,-.16,;-1.88,-.93,;-.41,-.46,;-1.66,.45,;-1.18,1.91,;-1.95,3.24,;.36,1.91,;1.13,3.24,;.83,.45,;1.26,-3.04,;2.8,-3.04,)|
COC1CC[C@]2(Cc3ccc(Br)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:14.16,wD:5.5,c:21,t:17,(5.88,-3.04,;5.11,-1.7,;3.57,-1.7,;2.8,-3.04,;1.26,-3.04,;.49,-1.7,;-.41,-2.95,;-1.88,-2.47,;-3.21,-3.24,;-4.55,-2.47,;-4.55,-.93,;-5.88,-.16,;-3.21,-.16,;-1.88,-.93,;-.41,-.46,;-1.66,.45,;-1.18,1.91,;-1.95,3.24,;.36,1.91,;1.13,3.24,;.83,.45,;1.26,-.37,;2.8,-.37,)|
COC1CC[C@]2(Cc3ccc(Br)cc3[C@]22N=C(C)C(N)=N2)CC1 |r,wD:5.5,14.16,c:21,t:17,(5.88,-3.04,;5.11,-1.7,;3.57,-1.7,;2.8,-3.04,;1.26,-3.04,;.49,-1.7,;-.41,-2.95,;-1.88,-2.47,;-3.21,-3.24,;-4.55,-2.47,;-4.55,-.93,;-5.88,-.16,;-3.21,-.16,;-1.88,-.93,;-.41,-.46,;-1.66,.45,;-1.18,1.91,;-1.95,3.24,;.36,1.91,;1.13,3.24,;.83,.45,;1.26,-.37,;2.8,-.37,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.86,-1.04,;7.1,.3,;5.56,.32,;4.8,1.65,;3.26,1.67,;2.49,.34,;1.59,-.92,;.12,-.45,;-1.22,-1.23,;-2.56,-.46,;-2.55,1.09,;-1.22,1.86,;.11,1.1,;1.57,1.58,;.66,2.82,;1.55,4.07,;1.05,5.53,;3.02,3.61,;4.26,4.53,;3.03,2.07,;-3.88,1.86,;-3.88,3.4,;-5.21,4.17,;-6.55,3.4,;-6.54,1.85,;-5.21,1.09,;-7.87,1.08,;-9.22,.32,;-10.56,-.44,;3.25,-1,;4.78,-1,)|
COC1CC[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wU:13.15,wD:5.5,c:20,t:16,(9.21,-3.04,;8.44,-1.7,;6.9,-1.7,;6.13,-3.04,;4.59,-3.04,;3.82,-1.7,;2.92,-2.95,;1.45,-2.47,;.12,-3.24,;-1.21,-2.47,;-1.21,-.93,;.12,-.16,;1.45,-.93,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.16,.45,;-2.55,-.16,;-2.55,1.38,;-3.88,2.15,;-5.21,1.38,;-5.21,-.16,;-3.88,-.93,;-6.55,-.93,;-7.88,-1.7,;-9.21,-2.47,;4.59,-.37,;6.13,-.37,)|
COC1CC[C@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:5.5,13.15,c:20,t:16,(9.21,-3.04,;8.44,-1.7,;6.9,-1.7,;6.13,-3.04,;4.59,-3.04,;3.82,-1.7,;2.92,-2.95,;1.45,-2.47,;.12,-3.24,;-1.21,-2.47,;-1.21,-.93,;.12,-.16,;1.45,-.93,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.17,.45,;-2.55,-.16,;-2.55,1.38,;-3.88,2.15,;-5.21,1.38,;-5.21,-.16,;-3.88,-.93,;-6.55,-.93,;-7.88,-1.7,;-9.21,-2.47,;4.59,-.37,;6.13,-.37,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(ccn2)C#CC)CC1 |r,wD:5.5,2.1,c:20,t:16,(9.21,-.37,;8.44,-1.7,;6.9,-1.7,;6.13,-.37,;4.59,-.37,;3.82,-1.7,;2.92,-2.95,;1.45,-2.47,;.12,-3.24,;-1.21,-2.47,;-1.21,-.93,;.12,-.16,;1.45,-.93,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.17,.45,;-2.55,-.16,;-3.88,-.93,;-5.21,-.16,;-5.21,1.38,;-3.88,2.15,;-2.55,1.38,;-6.55,-.93,;-7.88,-1.7,;-9.21,-2.47,;4.59,-3.04,;6.13,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(cc(c2)C#N)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.55,-4.03,;7.78,-2.69,;6.24,-2.69,;5.47,-1.36,;3.93,-1.36,;3.16,-2.69,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.15,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.15,;-4.55,-1.93,;-5.88,-1.15,;-5.88,.38,;-4.55,1.15,;-3.21,.38,;-4.55,2.69,;-4.55,4.23,;-7.21,-1.93,;-8.55,-2.69,;3.93,-4.03,;5.47,-4.03,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(26.92,-.87,;26.16,.47,;24.62,.49,;23.85,1.82,;22.31,1.84,;21.54,.51,;20.64,-.74,;19.17,-.28,;17.83,-1.06,;16.5,-.28,;16.5,1.26,;17.83,2.03,;19.17,1.27,;20.63,1.75,;19.72,2.99,;20.6,4.25,;20.11,5.7,;22.08,3.78,;23.31,4.7,;22.09,2.24,;15.17,2.03,;15.17,3.57,;13.84,4.34,;13.84,5.88,;12.51,3.57,;12.51,2.02,;13.85,1.26,;11.18,1.25,;9.84,.49,;22.31,-.83,;23.84,-.83,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.69,;-.55,-3.47,;-1.88,-2.69,;-1.88,-1.15,;-.55,-.38,;.79,-1.15,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.38,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.38,;-4.55,-1.15,;-7.21,-1.15,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.21,-.59,;6.44,-1.93,;4.9,-1.93,;4.13,-.59,;2.59,-.59,;1.82,-1.93,;.92,-3.17,;-.55,-2.69,;-1.88,-3.47,;-3.21,-2.69,;-3.21,-1.15,;-1.88,-.38,;-.55,-1.15,;.92,-.68,;-.33,.23,;.15,1.69,;-.62,3.02,;1.69,1.69,;2.46,3.02,;2.16,.23,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,;2.59,-3.26,;4.13,-3.26,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.21,-.59,;6.44,-1.93,;4.9,-1.93,;4.13,-.59,;2.59,-.59,;1.82,-1.93,;.92,-3.17,;-.55,-2.69,;-1.88,-3.47,;-3.21,-2.69,;-3.21,-1.15,;-1.88,-.38,;-.55,-1.15,;.92,-.68,;-.33,.23,;.15,1.69,;-.62,3.02,;1.69,1.69,;2.46,3.02,;2.16,.23,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,;2.59,-3.26,;4.13,-3.26,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(F)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.21,-.59,;6.44,-1.93,;4.9,-1.93,;4.13,-.59,;2.59,-.59,;1.82,-1.93,;.92,-3.17,;-.55,-2.69,;-1.88,-3.47,;-3.21,-2.69,;-3.21,-1.15,;-1.88,-.38,;-.55,-1.15,;.92,-.68,;-.33,.23,;.15,1.69,;-.62,3.02,;1.69,1.69,;2.46,3.02,;2.16,.23,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,;2.59,-3.26,;4.13,-3.26,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccc(F)c(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.55,-.37,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-3.21,1.38,;-4.55,2.15,;-5.88,1.38,;-7.21,2.15,;-5.88,-.16,;-4.55,-.93,;-7.21,-.93,;-8.55,-1.7,;3.93,-3.04,;5.47,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccc(F)c(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-4.03,;7.11,-2.69,;5.57,-2.69,;4.8,-1.36,;3.26,-1.36,;2.49,-2.69,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.15,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.15,;-5.21,-1.93,;-6.55,-1.15,;-6.55,.38,;-7.88,1.16,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)(C)C)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,.61,;-6.55,1.38,;-7.88,2.15,;-5.78,2.71,;-7.32,.04,;3.26,-3.04,;4.8,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CC2)CC1 |r,wD:5.5,2.1,c:20,t:16,(43.93,-2.27,;43.17,-.93,;41.63,-.91,;40.87,.42,;39.33,.44,;38.56,-.89,;37.66,-2.14,;36.19,-1.68,;34.85,-2.46,;33.52,-1.68,;33.52,-.14,;34.85,.63,;36.18,-.13,;37.65,.35,;36.73,1.59,;37.62,2.85,;37.13,4.3,;39.09,2.38,;40.33,3.3,;39.11,.84,;32.19,.63,;30.85,1.4,;29.51,2.17,;28.74,3.49,;27.97,2.16,;39.32,-2.23,;40.86,-2.23,)|
CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Br)cn4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:31,t:27,(9.48,-3.04,;8.71,-1.7,;7.17,-1.7,;6.4,-.37,;4.86,-.37,;4.09,-1.7,;3.18,-2.95,;1.72,-2.47,;.38,-3.24,;-.95,-2.47,;-.95,-.93,;-2.44,-.54,;-3.53,-1.63,;-3.13,-3.11,;-5.01,-1.23,;-5.41,.26,;-6.9,.66,;-7.99,-.43,;-9.48,-.03,;-7.59,-1.92,;-6.1,-2.32,;.38,-.16,;1.72,-.93,;3.18,-.46,;1.94,.45,;2.41,1.91,;1.64,3.24,;3.95,1.91,;4.72,3.24,;4.43,.45,;4.86,-3.04,;6.4,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:34,t:30,(10.02,-3.04,;9.25,-1.7,;7.71,-1.7,;6.94,-.37,;5.4,-.37,;4.63,-1.7,;3.73,-2.95,;2.26,-2.47,;.93,-3.24,;-.41,-2.47,;-.41,-.93,;-1.89,-.54,;-2.98,-1.63,;-2.58,-3.11,;-4.47,-1.23,;-4.87,.26,;-6.36,.66,;-7.44,-.43,;-7.05,-1.92,;-5.56,-2.32,;-8.93,-.03,;-9.33,1.46,;-10.02,-1.12,;-7.84,1.06,;.93,-.16,;2.26,-.93,;3.73,-.46,;2.48,.45,;2.96,1.91,;2.19,3.24,;4.5,1.91,;5.27,3.24,;4.97,.45,;5.4,-3.04,;6.94,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4oc5cc(Cl)ccc5c4C)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:36,t:32,(10.51,-3.04,;9.74,-1.7,;8.2,-1.7,;7.43,-.37,;5.89,-.37,;5.12,-1.7,;4.22,-2.95,;2.75,-2.47,;1.42,-3.24,;.09,-2.47,;.09,-.93,;-1.4,-.54,;-2.49,-1.63,;-2.09,-3.11,;-3.98,-1.23,;-5.22,-2.13,;-6.47,-1.23,;-7.98,-1.55,;-9.01,-.4,;-10.51,-.72,;-8.53,1.06,;-7.02,1.38,;-5.99,.24,;-4.45,.24,;-3.68,1.57,;1.42,-.16,;2.75,-.93,;4.22,-.46,;2.97,.45,;3.45,1.91,;2.68,3.24,;4.99,1.91,;5.76,3.24,;5.46,.45,;5.89,-3.04,;7.43,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:32,t:28,(9.48,-2.76,;8.71,-1.43,;7.17,-1.43,;6.4,-.09,;4.86,-.09,;4.09,-1.43,;3.18,-2.67,;1.72,-2.2,;.38,-2.97,;-.95,-2.2,;-.95,-.66,;-2.44,-.26,;-3.53,-1.35,;-3.13,-2.83,;-5.01,-.95,;-5.41,.54,;-6.9,.94,;-7.99,-.15,;-9.48,.25,;-7.59,-1.64,;-6.1,-2.04,;-5.7,-3.52,;.38,.11,;1.72,-.66,;3.18,-.18,;1.94,.73,;2.41,2.19,;1.64,3.52,;3.95,2.19,;4.72,3.52,;4.43,.73,;4.86,-2.76,;6.4,-2.76,)|
CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ccc(Cl)cn4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:31,t:27,(9.48,-3.04,;8.71,-1.7,;7.17,-1.7,;6.4,-.37,;4.86,-.37,;4.09,-1.7,;3.18,-2.95,;1.72,-2.47,;.38,-3.24,;-.95,-2.47,;-.95,-.93,;-2.44,-.54,;-3.53,-1.63,;-3.13,-3.11,;-5.01,-1.23,;-5.41,.26,;-6.9,.66,;-7.99,-.43,;-9.48,-.03,;-7.59,-1.92,;-6.1,-2.32,;.38,-.16,;1.72,-.93,;3.18,-.46,;1.94,.45,;2.41,1.91,;1.64,3.24,;3.95,1.91,;4.72,3.24,;4.43,.45,;4.86,-3.04,;6.4,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:25,t:21,(5.46,-10.89,;4.7,-9.55,;3.16,-9.54,;2.4,-8.2,;.86,-8.18,;.08,-9.52,;-.81,-10.77,;-2.28,-10.3,;-3.62,-11.08,;-4.96,-10.31,;-4.96,-8.77,;-6.29,-8,;-7.62,-8.76,;-8.95,-7.99,;-10.29,-8.76,;-8.95,-6.45,;-3.63,-7.99,;-2.29,-8.76,;-.83,-8.27,;-1.74,-7.04,;-.86,-5.78,;-1.35,-4.32,;.62,-6.24,;1.85,-5.32,;.63,-7.78,;.85,-10.85,;2.38,-10.86,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-7.88,2.15,;-6.55,-.16,;-6.95,2.86,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;3.26,-3.04,;4.8,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCCCF)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:25,t:21,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-7.21,-.93,;-8.55,-.16,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;3.93,-3.04,;5.47,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ncc(Cl)cc4C)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:32,t:28,(7.92,-.84,;6.83,.25,;5.34,-.15,;4.25,.94,;2.77,.54,;2.37,-.95,;2.21,-2.48,;.7,-2.8,;-.07,-4.13,;-1.61,-4.13,;-2.38,-2.8,;-3.92,-2.8,;-5.25,-2.03,;-6.59,-2.8,;-5.25,-.49,;-3.92,.28,;-3.92,1.82,;-5.25,2.59,;-5.25,4.13,;-6.59,1.82,;-6.59,.28,;-7.92,-.49,;-1.61,-1.46,;-.07,-1.46,;.96,-.32,;-.5,.16,;-.5,1.7,;-1.84,2.47,;.96,2.17,;1.73,3.51,;1.87,.93,;3.46,-2.04,;4.94,-1.64,)|
CO[C@H]1CC[C@@]2(Cc3ccc(NC(=O)c4ccc(F)cn4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:31,t:27,(9.4,-3.04,;8.63,-1.7,;7.09,-1.7,;6.32,-.37,;4.78,-.37,;4.01,-1.7,;3.1,-2.95,;1.64,-2.47,;.31,-3.24,;-1.03,-2.47,;-1.03,-.93,;-2.36,-.16,;-3.45,-1.25,;-3.05,-2.74,;-4.94,-.86,;-5.34,.63,;-6.82,1.03,;-7.91,-.06,;-9.4,.34,;-7.51,-1.55,;-6.03,-1.94,;.31,-.16,;1.64,-.93,;3.1,-.46,;1.86,.45,;2.33,1.91,;1.56,3.24,;3.87,1.91,;4.64,3.24,;4.35,.45,;4.78,-3.04,;6.32,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccnc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:20,t:16,(9.21,-.37,;8.44,-1.7,;6.9,-1.7,;6.13,-.37,;4.59,-.37,;3.82,-1.7,;2.92,-2.95,;1.45,-2.47,;.12,-3.24,;-1.21,-2.47,;-1.21,-.93,;.12,-.16,;1.45,-.93,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.16,.45,;-2.55,-.16,;-2.55,1.38,;-3.88,2.15,;-5.21,1.38,;-5.21,-.16,;-3.88,-.93,;-6.55,-.93,;-7.88,-1.7,;-9.21,-2.47,;4.59,-3.04,;6.13,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cccc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:20,t:16,(25.81,-10.6,;25.05,-9.26,;23.51,-9.24,;22.75,-7.91,;21.21,-7.89,;20.44,-9.22,;19.54,-10.47,;18.07,-10.01,;16.73,-10.79,;15.4,-10.01,;15.4,-8.47,;16.73,-7.7,;18.06,-8.46,;19.53,-7.98,;18.61,-6.74,;19.5,-5.48,;19,-4.03,;20.97,-5.95,;22.21,-5.03,;20.99,-7.49,;14.07,-7.7,;14.07,-6.16,;12.74,-5.39,;11.4,-6.16,;11.41,-7.71,;12.74,-8.47,;10.08,-8.48,;8.73,-9.24,;7.39,-10,;21.2,-10.56,;22.73,-10.56,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Br)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(44.87,-11.75,;44.11,-10.41,;42.57,-10.39,;41.81,-9.06,;40.27,-9.04,;39.5,-10.37,;38.6,-11.63,;37.13,-11.16,;35.79,-11.94,;34.46,-11.17,;34.46,-9.62,;35.79,-8.85,;37.12,-9.61,;38.59,-9.13,;37.67,-7.89,;38.56,-6.64,;38.07,-5.18,;40.04,-7.1,;41.27,-6.18,;40.05,-8.64,;33.13,-8.85,;33.13,-7.31,;31.8,-6.54,;30.47,-7.31,;30.47,-8.86,;29.14,-9.63,;31.8,-9.62,;40.26,-11.71,;41.8,-11.71,)|
CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCOCC1 |c:4,t:1|
CC1=NC2(N=C1N)c1cc(ccc1CC21CCOCC1)-c1cccc(Cl)c1 |c:4,t:1|
CC1=NC2(N=C1N)c1cc(ccc1CC21CCOCC1)-c1ccc(F)c(Cl)c1 |c:4,t:1|
CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(F)(F)CC1 |c:4,t:1|
CC1=NC2(N=C1N)c1cc(ccc1CC21CCC(F)(F)CC1)-c1cncc(Cl)c1 |c:4,t:1|
CC1=NC2(N=C1N)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1CC21CCC(F)(F)CC1 |c:4,t:1|
CC#Cc1cncc(c1)-c1ccc2CC3(CCC(F)(F)CC3)C3(N=C(C)C(N)=N3)c2c1 |c:29,t:25|
COC1CCC2(CC1)Oc1ccc(Br)cc1C21N=C(C)C(N)=N1 |c:24,t:20,(5.95,-2.33,;5.18,-1,;3.64,-1,;2.87,-2.33,;1.33,-2.33,;.56,-1,;1.33,.33,;2.87,.33,;.09,-2.46,;-1.45,-2.46,;-2.48,-3.61,;-3.99,-3.29,;-4.47,-1.82,;-5.95,-1.43,;-3.44,-.68,;-1.93,-1,;-.68,-.09,;-1.93,.81,;-1.45,2.28,;-2.22,3.61,;.09,2.28,;.86,3.61,;.56,.81,)|
COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cccc(Cl)c1 |c:23,t:19,(7.79,-2.33,;7.02,-1,;5.48,-1,;4.71,-2.33,;3.17,-2.33,;2.4,-1,;3.17,.33,;4.71,.33,;1.92,-2.46,;.38,-2.46,;-.65,-3.61,;-2.16,-3.29,;-2.63,-1.82,;-1.6,-.68,;-.1,-1,;1.15,-.09,;-.1,.81,;.38,2.28,;-.39,3.61,;1.92,2.28,;2.69,3.61,;2.4,.81,;-4.12,-1.43,;-4.52,.06,;-6.01,.46,;-7.1,-.63,;-6.7,-2.12,;-7.79,-3.2,;-5.21,-2.51,)|
COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 |c:23,t:19,(7.79,-2.33,;7.02,-1,;5.48,-1,;4.71,-2.33,;3.17,-2.33,;2.4,-1,;3.17,.33,;4.71,.33,;1.92,-2.46,;.38,-2.46,;-.65,-3.61,;-2.16,-3.29,;-2.63,-1.82,;-1.6,-.68,;-.1,-1,;1.15,-.09,;-.1,.81,;.38,2.28,;-.39,3.61,;1.92,2.28,;2.69,3.61,;2.4,.81,;-4.12,-1.43,;-4.52,.06,;-6.01,.46,;-7.1,-.63,;-6.7,-2.12,;-7.79,-3.2,;-5.21,-2.51,)|
COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC |c:23,t:19|
CC1=NC2(CC3(CCCOC3)Oc3ccc(cc23)-c2cccc(Cl)c2)N=C1N |c:29,t:1|
CC1=NC2(CC3(CCCOC3)Oc3ccc(cc23)-c2ccc(F)c(Cl)c2)N=C1N |c:30,t:1|
CC1=NC2(CC(Oc3ccc(Br)cc23)C2CCCOC2)N=C1N |c:23,t:1|
CC1=NC2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)C2CCCOC2)N=C1N |c:30,t:1|
CC1=N[C@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N |r,c:30,t:1|
CC1=N[C@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N |r,c:30,t:1|
CC1=N[C@]2(C[C@@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@@H]2CCCOC2)N=C1N |r,c:30,t:1|
CC1=N[C@]2(C[C@H](Oc3ccc(cc23)-c2cccc(Cl)c2)[C@H]2CCCOC2)N=C1N |r,c:30,t:1|
CC1=NC2(CC(Oc3ccc(Br)cc23)C2CCOC(C)(C)C2)N=C1N |c:25,t:1|
CC1=NC2(CC(Oc3ccc(cc23)-c2cccc(Cl)c2)C2CCOC(C)(C)C2)N=C1N |c:32,t:1|
CC1=NC2(CCCc3ccc(Br)cc23)N=C1N |c:16,t:1|
CC1=NC2(CCCc3ccc(cc23)-c2cncc(Cl)c2)N=C1N |c:23,t:1|
CC#Cc1cncc(c1)-c1ccc2CCCC3(N=C(C)C(N)=N3)c2c1 |c:22,t:18|
CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC1 |c:4,t:1|
CC1=NC2(N=C1N)c1cc(ccc1CC21CCC1)-c1cncc(Cl)c1 |c:4,t:1|
CC#Cc1cncc(c1)-c1ccc2CC3(CCC3)C3(N=C(C)C(N)=N3)c2c1 |c:25,t:21|
CC1=NC2(N=C1N)c1cc(ccc1CC21CCC1)C#CC1CC1 |c:4,t:1|
CC1=NC2(N=C1N)c1cc(ccc1CC21CCC1)C#CC(C)(C)C |c:4,t:1|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cnc(C)c(Cl)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-7.88,2.15,;-6.55,-.16,;-7.88,-.93,;-5.21,-.93,;3.26,-3.04,;4.8,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cnc(C)c(Cl)c2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-7.88,2.15,;-6.55,-.16,;-7.88,-.93,;-5.21,-.93,;3.26,-3.04,;4.8,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cnc2C)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-6.55,1.38,;-5.21,2.15,;-3.88,1.38,;-2.55,2.15,;3.26,-3.04,;4.8,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(C#CC)c2C)CC1 |r,wD:5.5,2.1,c:20,t:16,(9.21,-3.04,;8.44,-1.7,;6.9,-1.7,;6.13,-.37,;4.59,-.37,;3.82,-1.7,;2.92,-2.95,;1.45,-2.47,;.12,-3.24,;-1.21,-2.47,;-1.21,-.93,;.12,-.16,;1.45,-.93,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.16,.45,;-2.55,-.16,;-2.55,1.38,;-3.88,2.15,;-5.21,1.38,;-5.21,-.16,;-6.55,-.93,;-7.88,-1.7,;-9.21,-2.47,;-3.88,-.93,;-3.88,-2.47,;4.59,-3.04,;6.13,-3.04,)|
CCC1=NC2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC |r,wD:16.17,19.25,c:5,t:2,(-3.49,3.24,;-1.95,3.24,;-1.18,1.91,;-1.66,.45,;-.41,-.46,;.83,.45,;.36,1.91,;1.13,3.24,;-1.88,-.93,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-4.55,-2.47,;-3.21,-3.24,;-1.88,-2.47,;-.41,-2.95,;.49,-1.7,;1.26,-.37,;2.8,-.37,;3.57,-1.7,;2.8,-3.04,;1.26,-3.04,;5.11,-1.7,;5.88,-3.04,)|
CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(Cl)c1 |r,wD:15.16,18.24,c:5,t:2,(-2.16,3.02,;-.62,3.02,;.15,1.69,;-.33,.23,;.92,-.68,;2.16,.23,;1.69,1.69,;2.46,3.02,;-.55,-1.16,;-1.88,-.39,;-3.21,-1.16,;-3.21,-2.7,;-1.88,-3.47,;-.55,-2.7,;.92,-3.17,;1.82,-1.93,;2.59,-.59,;4.13,-.59,;4.9,-1.93,;4.13,-3.26,;2.59,-3.26,;6.44,-1.93,;7.21,-3.26,;-4.55,-.39,;-5.88,-1.16,;-7.21,-.39,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,)|
CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC |r,wD:15.16,18.24,c:5,t:2,(-2.16,1.48,;-.62,1.48,;.15,.15,;-.33,-1.31,;.92,-2.22,;2.16,-1.31,;1.69,.15,;2.46,1.48,;-.55,-2.7,;-1.88,-1.93,;-3.21,-2.7,;-3.21,-4.24,;-1.88,-5,;-.55,-4.24,;.92,-4.71,;1.82,-3.47,;2.59,-2.13,;4.13,-2.13,;4.9,-3.47,;4.13,-4.8,;2.59,-4.8,;6.44,-3.47,;7.21,-4.8,;-4.55,-1.93,;-5.88,-2.7,;-7.21,-1.93,;-7.21,-.39,;-5.88,.38,;-4.55,-.39,;-5.88,1.93,;-5.88,3.47,;-5.88,5,)|
CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(Cl)c1 |r,wD:15.16,18.24,c:5,t:2,(-2.16,3.02,;-.62,3.02,;.15,1.69,;-.33,.23,;.92,-.68,;2.16,.23,;1.69,1.69,;2.46,3.02,;-.55,-1.16,;-1.88,-.39,;-3.21,-1.16,;-3.21,-2.7,;-1.88,-3.47,;-.55,-2.7,;.92,-3.17,;1.82,-1.93,;2.59,-.59,;4.13,-.59,;4.9,-1.93,;4.13,-3.26,;2.59,-3.26,;6.44,-1.93,;7.21,-.59,;-4.55,-.39,;-5.88,-1.16,;-7.21,-.39,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,)|
CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#CC |r,wD:15.16,18.24,c:5,t:2,(-2.16,1.48,;-.62,1.48,;.15,.15,;-.33,-1.31,;.92,-2.22,;2.16,-1.31,;1.69,.15,;2.46,1.48,;-.55,-2.7,;-1.88,-1.93,;-3.21,-2.7,;-3.21,-4.24,;-1.88,-5,;-.55,-4.24,;.92,-4.71,;1.82,-3.47,;2.59,-2.13,;4.13,-2.13,;4.9,-3.47,;4.13,-4.8,;2.59,-4.8,;6.44,-3.47,;7.21,-2.13,;-4.55,-1.93,;-5.88,-2.7,;-7.21,-1.93,;-7.21,-.39,;-5.88,.38,;-4.55,-.39,;-5.88,1.93,;-5.88,3.47,;-5.88,5,)|
CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cncc(c1)C#N |r,wD:15.16,18.24,c:5,t:2,(-2.16,2.25,;-.62,2.25,;.15,.92,;-.33,-.54,;.92,-1.45,;2.16,-.54,;1.69,.92,;2.46,2.25,;-.55,-1.93,;-1.88,-1.16,;-3.21,-1.93,;-3.21,-3.47,;-1.88,-4.23,;-.55,-3.47,;.92,-3.94,;1.82,-2.7,;2.59,-1.36,;4.13,-1.36,;4.9,-2.7,;4.13,-4.03,;2.59,-4.03,;6.44,-2.7,;7.21,-1.36,;-4.55,-1.16,;-5.88,-1.93,;-7.21,-1.16,;-7.21,.38,;-5.88,1.15,;-4.55,.38,;-5.88,2.69,;-5.88,4.23,)|
CCC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)-c1cccc(c1)C#N |r,wD:15.16,18.24,c:5,t:2,(-2.16,2.25,;-.62,2.25,;.15,.92,;-.33,-.54,;.92,-1.45,;2.16,-.54,;1.69,.92,;2.46,2.25,;-.55,-1.93,;-1.88,-1.16,;-3.21,-1.93,;-3.21,-3.47,;-1.88,-4.23,;-.55,-3.47,;.92,-3.94,;1.82,-2.7,;2.59,-1.36,;4.13,-1.36,;4.9,-2.7,;4.13,-4.03,;2.59,-4.03,;6.44,-2.7,;7.21,-4.03,;-4.55,-1.16,;-5.88,-1.93,;-7.21,-1.16,;-7.21,.38,;-5.88,1.15,;-4.55,.38,;-5.88,2.69,;-5.88,4.23,)|
CCC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:15.15,18.22,c:30,t:26,(8.12,-19.34,;9.45,-20.12,;10.79,-19.37,;12.13,-18.61,;13.46,-17.83,;13.46,-16.29,;14.79,-15.52,;16.12,-16.29,;16.12,-17.83,;14.79,-18.6,;17.45,-18.6,;17.45,-20.14,;18.78,-20.91,;20.12,-20.13,;21.59,-20.6,;22.49,-19.35,;23.26,-18.01,;24.8,-18.03,;25.56,-19.37,;24.79,-20.69,;23.25,-20.68,;27.1,-19.38,;27.86,-20.72,;21.58,-18.1,;20.66,-16.87,;21.55,-15.61,;21.06,-14.15,;23.03,-16.07,;24.26,-15.16,;23.04,-17.61,;20.11,-18.59,;18.78,-17.83,)|
CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@]3(N=C(C)C(N)=N3)c2c1 |r,wU:21.23,wD:14.14,17.18,c:28,t:24,(-8.83,-2.47,;-7.5,-1.7,;-6.16,-.93,;-4.83,-.16,;-4.83,1.38,;-3.49,2.15,;-2.16,1.38,;-2.16,-.16,;-3.49,-.93,;-.83,-.93,;-.83,-2.47,;.51,-3.24,;1.84,-2.47,;3.3,-2.95,;4.21,-1.7,;4.98,-.37,;6.52,-.37,;7.29,-1.7,;8.83,-1.7,;6.52,-3.04,;4.98,-3.04,;3.3,-.46,;2.06,.45,;2.53,1.91,;1.76,3.24,;4.07,1.91,;4.84,3.24,;4.55,.45,;1.84,-.93,;.51,-.16,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(C)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.55,-.59,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.69,;-.55,-3.47,;-1.88,-2.69,;-1.88,-1.15,;-.55,-.38,;.79,-1.15,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.38,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.38,;-4.55,-1.15,;-7.21,-1.15,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-1.36,;7.11,-2.69,;5.57,-2.69,;4.8,-1.36,;3.26,-1.36,;2.49,-2.69,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.15,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.15,;-5.21,-1.93,;-6.55,-1.15,;-7.88,-1.93,;-6.55,.38,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)|
CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CC1 |c:4,t:1|
CC1=NC2(N=C1N)c1cc(ccc1CC21CC1)-c1cc(Cl)cc(c1)C#N |c:4,t:1|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(6.55,-3.04,;5.78,-1.7,;4.24,-1.7,;3.47,-.37,;1.93,-.37,;1.16,-1.7,;.25,-2.95,;-1.21,-2.47,;-2.55,-3.24,;-3.88,-2.47,;-3.88,-.93,;-2.55,-.16,;-1.21,-.93,;.25,-.46,;-.99,.45,;-.52,1.91,;-1.29,3.24,;1.02,1.91,;1.79,3.24,;1.5,.45,;-5.21,-.16,;-6.55,.61,;1.93,-3.04,;3.47,-3.04,)|
COCc1cccc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:14.14,17.21,c:29,t:25,(-9.21,-.93,;-7.88,-.16,;-6.55,-.93,;-5.21,-.16,;-5.21,1.38,;-3.88,2.15,;-2.55,1.38,;-2.55,-.16,;-3.88,-.93,;-1.21,-.93,;-1.21,-2.47,;.12,-3.24,;1.45,-2.47,;2.92,-2.95,;3.82,-1.7,;4.59,-.37,;6.13,-.37,;6.9,-1.7,;6.13,-3.04,;4.59,-3.04,;8.44,-1.7,;9.21,-.37,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.17,.45,;1.45,-.93,;.12,-.16,)|
COCc1cc(F)cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:15.15,18.22,c:30,t:26,(-9.21,-1.15,;-7.88,-.38,;-6.55,-1.15,;-5.21,-.38,;-5.21,1.15,;-3.88,1.93,;-3.88,3.47,;-2.55,1.15,;-2.55,-.38,;-3.88,-1.15,;-1.21,-1.15,;-1.21,-2.69,;.12,-3.47,;1.45,-2.69,;2.92,-3.17,;3.82,-1.93,;4.59,-.59,;6.13,-.59,;6.9,-1.93,;6.13,-3.26,;4.59,-3.26,;8.44,-1.93,;9.21,-3.26,;2.92,-.68,;1.67,.23,;2.15,1.69,;1.38,3.02,;3.69,1.69,;4.46,3.02,;4.17,.23,;1.45,-1.15,;.12,-.38,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(COCC(F)(F)F)c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(10.55,-3.04,;9.78,-1.7,;8.24,-1.7,;7.47,-.37,;5.93,-.37,;5.16,-1.7,;4.25,-2.95,;2.79,-2.47,;1.45,-3.24,;.12,-2.47,;.12,-.93,;1.45,-.16,;2.79,-.93,;4.25,-.46,;3.01,.45,;3.48,1.91,;2.71,3.24,;5.02,1.91,;5.79,3.24,;5.5,.45,;-1.21,-.16,;-1.21,1.38,;-2.55,2.15,;-3.88,1.38,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-9.21,-.16,;-10.55,-.93,;-9.21,1.38,;-10.55,.61,;-2.55,-.93,;5.93,-3.04,;7.47,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(C)c2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-6.55,-.16,;-7.88,-.93,;-5.21,-.93,;3.26,-3.04,;4.8,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C(F)(F)F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-3.21,1.38,;-4.55,2.15,;-5.88,1.38,;-5.88,-.16,;-4.55,-.93,;-7.21,-.93,;-8.55,-.16,;-7.21,-2.47,;-8.55,-1.7,;3.93,-3.04,;5.47,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)(F)F)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-4.03,;7.78,-2.69,;6.24,-2.69,;5.47,-1.36,;3.93,-1.36,;3.16,-2.69,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.15,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.15,;-3.21,.38,;-4.55,1.15,;-5.88,.38,;-5.88,-1.15,;-4.55,-1.93,;-7.21,-1.93,;-8.55,-1.15,;-7.21,-3.46,;-8.55,-2.69,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)F)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-4.03,;7.78,-2.7,;6.24,-2.7,;5.47,-1.36,;3.93,-1.36,;3.16,-2.7,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.16,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.16,;-3.21,.38,;-4.55,1.15,;-5.88,.38,;-5.88,-1.16,;-4.55,-1.93,;-7.21,-1.93,;-8.55,-1.16,;-7.21,-3.47,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)c(F)c(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-4.03,;7.78,-2.7,;6.24,-2.7,;5.47,-1.36,;3.93,-1.36,;3.16,-2.7,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.16,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.16,;-4.55,-1.93,;-5.88,-1.16,;-7.21,-1.93,;-8.55,-1.16,;-5.88,.38,;-7.21,1.15,;-4.55,1.15,;-3.21,.38,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(F)c2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.26,;7.11,-1.93,;5.57,-1.93,;4.8,-.59,;3.26,-.59,;2.49,-1.93,;1.59,-3.17,;.12,-2.7,;-1.21,-3.46,;-2.55,-2.7,;-2.55,-1.16,;-1.21,-.39,;.12,-1.16,;1.59,-.68,;.34,.23,;.82,1.69,;.05,3.02,;2.36,1.69,;3.13,3.02,;2.83,.23,;-3.88,-.39,;-5.21,-1.16,;-6.55,-.39,;-7.88,-1.16,;-6.55,1.15,;-5.21,1.92,;-5.21,3.46,;-3.88,1.15,;3.26,-3.26,;4.8,-3.26,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(OC)c2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-3.21,1.38,;-4.55,2.15,;-5.88,1.38,;-5.88,-.16,;-7.21,-.93,;-8.55,-.16,;-4.55,-.93,;-4.55,-2.47,;3.93,-3.04,;5.47,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccccc2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.21,-3.04,;6.44,-1.7,;4.9,-1.7,;4.13,-.37,;2.59,-.37,;1.82,-1.7,;.92,-2.95,;-.55,-2.47,;-1.88,-3.24,;-3.21,-2.47,;-3.21,-.93,;-1.88,-.16,;-.55,-.93,;.92,-.46,;-.33,.45,;.15,1.91,;-.62,3.24,;1.69,1.91,;2.46,3.24,;2.16,.45,;-4.55,-.16,;-5.88,-.93,;-7.21,-.16,;-7.21,1.38,;-5.88,2.15,;-4.55,1.38,;2.59,-3.04,;4.13,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-1.36,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.92,;-7.88,-3.46,;-6.55,.38,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-1.36,;7.78,-2.7,;6.24,-2.7,;5.47,-1.36,;3.93,-1.36,;3.16,-2.7,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.16,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.16,;-4.55,-1.93,;-5.88,-1.16,;-7.21,-1.92,;-8.55,-1.15,;-5.88,.38,;-4.55,1.15,;-3.21,.38,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 |r,wD:5.5,13.15,2.1,c:20,t:16,(8.55,-1.36,;7.78,-2.7,;6.24,-2.7,;5.47,-1.36,;3.93,-1.36,;3.16,-2.7,;2.25,-3.94,;.79,-3.47,;-.55,-4.23,;-1.88,-3.47,;-1.88,-1.93,;-.55,-1.16,;.79,-1.93,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;-3.21,-1.16,;-4.55,-1.93,;-5.88,-1.16,;-7.21,-1.92,;-8.55,-1.15,;-5.88,.38,;-4.55,1.15,;-3.21,.38,;-4.55,2.69,;-4.55,4.23,;3.93,-4.03,;5.47,-4.03,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Br)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-1.36,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.92,;-6.55,.38,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)|
CCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1)C#N |r,wD:13.13,16.20,c:28,t:24,(-8.55,-1.15,;-7.21,-1.92,;-5.88,-1.16,;-5.88,.38,;-4.55,1.15,;-3.21,.38,;-3.21,-1.16,;-4.55,-1.93,;-1.88,-1.93,;-1.88,-3.47,;-.55,-4.23,;.79,-3.47,;2.25,-3.94,;3.16,-2.7,;3.93,-1.36,;5.47,-1.36,;6.24,-2.7,;5.47,-4.03,;3.93,-4.03,;7.78,-2.7,;8.55,-1.36,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;.79,-1.93,;-.55,-1.16,;-4.55,2.69,;-4.55,4.23,)|
COCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1)C#N |r,wD:14.14,17.21,c:29,t:25,(-3.21,4.62,;-3.21,3.08,;-4.55,2.31,;-4.55,.77,;-5.88,,;-5.88,-1.54,;-4.55,-2.31,;-3.21,-1.54,;-3.21,,;-1.88,-2.31,;-1.88,-3.85,;-.55,-4.62,;.79,-3.85,;2.25,-4.33,;3.16,-3.08,;3.93,-1.75,;5.47,-1.75,;6.24,-3.08,;5.47,-4.41,;3.93,-4.41,;7.78,-3.08,;8.55,-1.75,;2.25,-1.83,;1.01,-.93,;1.48,.54,;.71,1.87,;3.02,.54,;3.79,1.87,;3.5,-.93,;.79,-2.31,;-.55,-1.54,;-7.21,-2.31,;-8.55,-3.08,)|
COCc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1)C#N |r,wD:14.14,17.21,c:29,t:25,(-3.21,4.62,;-3.21,3.08,;-4.55,2.31,;-4.55,.77,;-5.88,,;-5.88,-1.54,;-4.55,-2.31,;-3.21,-1.54,;-3.21,,;-1.88,-2.31,;-1.88,-3.85,;-.55,-4.62,;.79,-3.85,;2.25,-4.33,;3.16,-3.08,;3.93,-1.75,;5.47,-1.75,;6.24,-3.08,;5.47,-4.41,;3.93,-4.41,;7.78,-3.08,;8.87,-1.99,;2.25,-1.83,;1.01,-.93,;1.48,.54,;.71,1.87,;3.02,.54,;3.79,1.87,;3.5,-.93,;.79,-2.31,;-.55,-1.54,;-7.21,-2.31,;-8.55,-3.08,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)ccc2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-7.21,-.93,;-8.55,-.16,;-5.88,1.38,;-4.55,2.15,;-3.21,1.38,;-1.88,2.15,;3.93,-3.04,;5.47,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)ccc2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-6.55,1.38,;-5.21,2.15,;-3.88,1.38,;-2.55,2.15,;3.26,-3.04,;4.8,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Cl)c(F)c(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-4.03,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.92,;-6.55,.38,;-7.88,1.15,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(F)c2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.21,-3.26,;6.44,-1.93,;4.9,-1.93,;4.13,-.59,;2.59,-.59,;1.82,-1.93,;.92,-3.17,;-.55,-2.69,;-1.88,-3.47,;-3.21,-2.69,;-3.21,-1.15,;-1.88,-.38,;-.55,-1.15,;.92,-.68,;-.33,.23,;.15,1.69,;-.62,3.02,;1.69,1.69,;2.46,3.02,;2.16,.23,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,;-3.21,1.93,;2.59,-3.26,;4.13,-3.26,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(ccc2F)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-5.88,1.38,;-4.55,2.15,;-3.21,1.38,;-1.88,2.15,;-7.21,-.93,;-8.55,-1.7,;3.93,-3.04,;5.47,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2ccc(F)cc2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-7.88,2.15,;-6.55,-.16,;-5.21,-.93,;-5.21,-2.47,;3.26,-3.04,;4.8,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cccc(Cl)c2Cl)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.21,-3.26,;6.44,-1.93,;4.9,-1.93,;4.13,-.59,;2.59,-.59,;1.82,-1.93,;.92,-3.17,;-.55,-2.69,;-1.88,-3.47,;-3.21,-2.69,;-3.21,-1.15,;-1.88,-.38,;-.55,-1.15,;.92,-.68,;-.33,.23,;.15,1.69,;-.62,3.02,;1.69,1.69,;2.46,3.02,;2.16,.23,;-4.55,-.38,;-5.88,-1.15,;-7.21,-.38,;-7.21,1.15,;-5.88,1.93,;-5.88,3.47,;-4.55,1.15,;-3.21,1.93,;2.59,-3.26,;4.13,-3.26,)|
CC1=N[C@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(F)cc(c1)C#N |r,wU:3.2,wD:14.15,17.23,c:4,t:1,(-.06,3.59,;.71,2.25,;.24,.79,;1.48,-.12,;2.73,.79,;2.25,2.25,;3.02,3.59,;.02,-.59,;-1.32,.18,;-2.65,-.59,;-2.65,-2.13,;-1.32,-2.9,;.02,-2.13,;1.48,-2.61,;2.39,-1.36,;3.16,-.03,;4.7,-.03,;5.47,-1.36,;4.7,-2.69,;3.16,-2.69,;7.01,-1.36,;7.78,-2.69,;9.32,-2.69,;7.01,-4.03,;-3.98,.18,;-3.98,1.72,;-5.32,2.49,;-5.32,4.03,;-6.65,1.72,;-6.65,.18,;-5.32,-.59,;-7.98,-.59,;-9.32,-1.36,)|
COc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(F)F)[C@]3(N=C(C)C(N)=N3)c2c1)C#N |r,wU:23.25,wD:13.13,16.20,c:30,t:26,(-3.98,4.41,;-5.32,3.64,;-5.32,2.1,;-6.65,1.33,;-6.65,-.21,;-5.32,-.98,;-3.98,-.21,;-3.98,1.33,;-2.65,-.98,;-2.65,-2.52,;-1.32,-3.29,;.02,-2.52,;1.48,-2.99,;2.39,-1.75,;3.16,-.41,;4.7,-.41,;5.47,-1.75,;4.7,-3.08,;3.16,-3.08,;7.01,-1.75,;7.78,-3.08,;9.32,-3.08,;7.01,-4.41,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;.02,-.98,;-1.32,-.21,;-7.98,-.98,;-9.32,-1.75,)|
CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cncc(c1)C(F)(F)F |r,wD:14.15,17.23,c:4,t:1,(-.06,3.81,;.71,2.47,;.24,1.01,;1.48,.1,;2.73,1.01,;2.25,2.47,;3.02,3.81,;.02,-.37,;-1.32,.4,;-2.65,-.37,;-2.65,-1.91,;-1.32,-2.68,;.02,-1.91,;1.48,-2.39,;2.39,-1.14,;3.16,.19,;4.7,.19,;5.47,-1.14,;4.7,-2.47,;3.16,-2.47,;7.01,-1.14,;7.78,-2.47,;9.32,-2.47,;7.01,-3.81,;-3.98,.4,;-3.98,1.94,;-5.32,2.71,;-6.65,1.94,;-6.65,.4,;-5.32,-.37,;-7.98,-.37,;-9.32,.4,;-8.75,.96,;-7.98,-1.91,)|
CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(Cl)cc(c1)C#N |r,wD:14.15,17.23,c:4,t:1,(-.06,3.59,;.71,2.25,;.24,.79,;1.48,-.12,;2.73,.79,;2.25,2.25,;3.02,3.59,;.02,-.59,;-1.32,.18,;-2.65,-.59,;-2.65,-2.13,;-1.32,-2.9,;.02,-2.13,;1.48,-2.61,;2.39,-1.36,;3.16,-.03,;4.7,-.03,;5.47,-1.36,;4.7,-2.69,;3.16,-2.69,;7.01,-1.36,;7.78,-2.69,;9.32,-2.69,;7.01,-4.03,;-3.98,.18,;-3.98,1.72,;-5.32,2.49,;-5.32,4.03,;-6.65,1.72,;-6.65,.18,;-5.32,-.59,;-7.98,-.59,;-9.32,-1.36,)|
CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(F)cc(F)c1 |r,wD:14.15,17.23,c:4,t:1,(-.72,3.59,;.05,2.25,;-.43,.79,;.82,-.12,;2.06,.79,;1.59,2.25,;2.36,3.59,;-.65,-.59,;-1.98,.18,;-3.32,-.59,;-3.32,-2.13,;-1.98,-2.9,;-.65,-2.13,;.82,-2.61,;1.72,-1.36,;2.49,-.03,;4.03,-.03,;4.8,-1.36,;4.03,-2.69,;2.49,-2.69,;6.34,-1.36,;7.11,-2.69,;8.65,-2.69,;6.34,-4.03,;-4.65,.18,;-4.65,1.72,;-5.98,2.49,;-5.98,4.03,;-7.32,1.72,;-7.32,.18,;-8.65,-.59,;-5.98,-.59,)|
COc1cc(cc(C#N)c1F)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(F)F)C3(N=C(C)C(N)=N3)c2c1 |r,wD:16.16,19.23,c:33,t:29,(-9.32,-.59,;-7.98,-1.36,;-6.65,-.59,;-5.32,-1.36,;-3.98,-.59,;-3.98,.95,;-5.32,1.72,;-5.32,3.26,;-5.32,4.8,;-6.65,.95,;-7.98,1.72,;-2.65,-1.36,;-2.65,-2.9,;-1.32,-3.67,;.02,-2.9,;1.48,-3.38,;2.39,-2.13,;3.16,-.8,;4.7,-.8,;5.47,-2.13,;4.7,-3.47,;3.16,-3.47,;7.01,-2.13,;7.78,-3.47,;9.32,-3.46,;7.01,-4.8,;1.48,-.89,;.24,.02,;.71,1.48,;-.06,2.82,;2.25,1.48,;3.02,2.82,;2.73,.02,;.02,-1.36,;-1.32,-.59,)|
CO[C@]1(C)CC[C@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wU:2.2,wD:6.6,2.1,c:21,t:17,(7,-1.58,;6.6,-3.07,;5.12,-3.47,;6.2,-4.55,;4.35,-4.8,;2.81,-4.8,;2.04,-3.47,;1.13,-4.71,;-.33,-4.23,;-1.67,-5,;-3,-4.23,;-3,-2.69,;-1.67,-1.93,;-.33,-2.69,;1.13,-2.22,;-.11,-1.31,;.36,.15,;-.41,1.48,;1.9,.15,;2.67,1.48,;2.38,-1.31,;-4.33,-1.93,;-5.67,-2.69,;-7,-1.93,;-7,-.38,;-5.67,.38,;-4.33,-.38,;-5.67,1.93,;-5.67,3.47,;-5.67,5,;2.81,-2.13,;4.35,-2.13,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC2CCC2)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.16,-3.04,;7.39,-1.7,;5.85,-1.7,;5.08,-.37,;3.54,-.37,;2.77,-1.7,;1.86,-2.95,;.4,-2.47,;-.94,-3.24,;-2.27,-2.47,;-2.27,-.93,;-.94,-.16,;.4,-.93,;1.86,-.46,;.62,.45,;1.09,1.91,;.32,3.24,;2.63,1.91,;3.4,3.24,;3.11,.45,;-3.6,-.16,;-4.94,.61,;-6.27,1.38,;-6.67,2.86,;-8.16,2.46,;-7.76,.98,;3.54,-3.04,;5.08,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)C#CC(C)C)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,.61,;-6.55,1.38,;-7.88,.61,;-6.95,2.86,;3.26,-3.04,;4.8,-3.04,)|
CC1=NC2(N=C1N)c1cc(ccc1CC21CCC(=O)CC1)-c1cc(F)cc(c1)C#N |c:4,t:1|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cnc3[nH]cc(C)c3c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.4,-.37,;7.63,-1.7,;6.09,-1.7,;5.32,-.37,;3.78,-.37,;3.01,-1.7,;2.1,-2.95,;.64,-2.47,;-.69,-3.24,;-2.03,-2.47,;-2.03,-.93,;-.69,-.16,;.64,-.93,;2.1,-.46,;.86,.45,;1.33,1.91,;.56,3.24,;2.87,1.91,;3.64,3.24,;3.35,.45,;-3.36,-.16,;-3.36,1.38,;-4.7,2.15,;-6.03,1.38,;-7.49,1.85,;-8.4,.61,;-7.49,-.64,;-8.26,-1.97,;-6.03,-.16,;-4.7,-.93,;3.78,-3.04,;5.32,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C(F)F)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-3.21,1.38,;-4.55,2.15,;-5.88,1.38,;-5.88,-.16,;-4.55,-.93,;-7.21,-.93,;-8.55,-.16,;-7.21,-2.47,;3.93,-3.04,;5.47,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2ccc3[nH]cc(C)c3c2)CC1 |r,wD:5.5,2.1,c:20,t:16,(8.4,-.37,;7.63,-1.7,;6.09,-1.7,;5.32,-.37,;3.78,-.37,;3.01,-1.7,;2.1,-2.95,;.64,-2.47,;-.69,-3.24,;-2.03,-2.47,;-2.03,-.93,;-.69,-.16,;.64,-.93,;2.1,-.46,;.86,.45,;1.33,1.91,;.56,3.24,;2.87,1.91,;3.64,3.24,;3.35,.45,;-3.36,-.16,;-3.36,1.38,;-4.7,2.15,;-6.03,1.38,;-7.49,1.85,;-8.4,.61,;-7.49,-.64,;-8.26,-1.97,;-6.03,-.16,;-4.7,-.93,;3.78,-3.04,;5.32,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cccc(C#CC)c2Cl)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.21,-2.13,;6.44,-3.47,;4.9,-3.47,;4.13,-2.13,;2.59,-2.13,;1.82,-3.47,;.92,-4.71,;-.55,-4.24,;-1.88,-5,;-3.21,-4.24,;-3.21,-2.7,;-1.88,-1.93,;-.55,-2.7,;.92,-2.22,;-.33,-1.31,;.15,.15,;-.62,1.48,;1.69,.15,;2.46,1.48,;2.16,-1.31,;-4.55,-1.93,;-5.88,-2.7,;-7.21,-1.93,;-7.21,-.39,;-5.88,.38,;-5.88,1.92,;-5.88,3.46,;-5.88,5,;-4.55,-.39,;-3.21,.39,;2.59,-4.8,;4.13,-4.8,)|
CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)C(F)(F)F |c:4,t:1|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(7.49,-3.23,;6.72,-1.9,;5.18,-1.9,;4.41,-.57,;2.87,-.57,;2.1,-1.9,;1.2,-3.14,;-.27,-2.67,;-1.6,-3.44,;-2.94,-2.67,;-2.94,-1.13,;-4.27,-.36,;-4.27,1.18,;-5.6,1.95,;-6,3.44,;-7.49,3.04,;-7.09,1.55,;-1.6,-.36,;-.27,-1.13,;1.2,-.65,;-.05,.25,;.43,1.72,;-.34,3.05,;1.97,1.72,;2.74,3.05,;2.44,.25,;2.87,-3.23,;4.41,-3.23,)|
COCc1cc(cc(C#N)c1F)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:17.17,20.24,c:32,t:28,(-8.55,-4.23,;-7.21,-3.47,;-7.21,-1.93,;-5.88,-1.15,;-4.55,-1.93,;-3.21,-1.15,;-3.21,.38,;-4.55,1.21,;-4.55,2.75,;-4.55,4.29,;-5.88,.38,;-7.21,1.15,;-1.88,-1.93,;-1.88,-3.47,;-.55,-4.23,;.79,-3.47,;2.25,-3.94,;3.16,-2.69,;3.93,-1.36,;5.47,-1.36,;6.24,-2.69,;5.47,-4.03,;3.93,-4.03,;7.78,-2.69,;8.55,-4.03,;2.25,-1.45,;1.01,-.54,;1.48,.92,;.71,2.25,;3.02,.92,;3.79,2.25,;3.5,-.54,;.79,-1.93,;-.55,-1.15,)|
CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(CC1)C(F)F |c:4,t:1,(-1.27,3.88,;-.5,2.54,;-1.4,1.3,;-.5,.05,;.97,.53,;.97,2.07,;2.3,2.84,;-1.96,-.42,;-3.29,.35,;-4.63,-.42,;-5.96,.35,;-4.63,-1.96,;-3.29,-2.73,;-1.96,-1.96,;-.5,-2.44,;.41,-1.19,;.81,-2.68,;2.3,-3.08,;3.38,-1.99,;2.99,-.5,;1.5,-.11,;4.87,-2.39,;5.27,-3.88,;5.96,-1.3,)|
CC1=NC2(N=C1N)c1cc(ccc1CC21CCC(CC1)C(F)F)-c1cncc(Cl)c1 |c:4,t:1,(.07,3.72,;.84,2.38,;-.07,1.14,;.84,-.11,;2.3,.37,;2.3,1.91,;3.64,2.68,;-.63,-.58,;-1.96,.19,;-3.29,-.58,;-3.29,-2.12,;-1.96,-2.89,;-.63,-2.12,;.84,-2.6,;1.74,-1.35,;2.14,-2.84,;3.63,-3.24,;4.72,-2.15,;4.32,-.66,;2.83,-.26,;6.21,-2.55,;6.6,-4.04,;7.29,-1.46,;-4.63,.19,;-5.96,-.58,;-7.29,.19,;-7.29,1.73,;-5.96,2.5,;-5.96,4.04,;-4.63,1.73,)|
CCO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:6.6,3.2,c:22,t:18,(6.65,-3.04,;5.11,-3.04,;4.34,-1.7,;2.8,-1.7,;2.03,-.37,;.49,-.37,;-.28,-1.7,;-1.18,-2.95,;-2.65,-2.47,;-3.98,-3.24,;-5.32,-2.47,;-5.32,-.93,;-6.65,-.16,;-3.98,-.16,;-2.65,-.93,;-1.18,-.46,;-2.43,.45,;-1.95,1.91,;-2.72,3.24,;-.41,1.91,;.36,3.24,;.06,.45,;.49,-3.04,;2.03,-3.04,)|
CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C(F)(F)F)CC1 |r,wD:6.6,3.2,c:21,t:17,(7.98,-4.03,;6.44,-4.03,;5.67,-2.7,;4.13,-2.7,;3.36,-1.36,;1.82,-1.36,;1.05,-2.7,;.15,-3.94,;-1.32,-3.47,;-2.65,-4.24,;-3.98,-3.47,;-3.98,-1.93,;-2.65,-1.16,;-1.32,-1.93,;.15,-1.45,;-.76,-.2,;.15,1.04,;-.62,2.38,;1.61,.57,;2.95,1.34,;1.61,-.97,;-5.32,-1.16,;-6.65,-1.93,;-7.98,-1.16,;-7.98,.38,;-6.65,1.16,;-5.32,.38,;-6.65,2.7,;-7.98,3.47,;-5.32,3.47,;-6.65,4.24,;1.82,-4.03,;3.36,-4.03,)|
CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wD:6.6,3.2,c:21,t:17,(8.55,-3.26,;7.21,-4.03,;6.44,-2.7,;4.9,-2.7,;4.13,-1.36,;2.59,-1.36,;1.82,-2.7,;.92,-3.94,;-.55,-3.47,;-1.88,-4.24,;-3.21,-3.47,;-3.21,-1.93,;-1.88,-1.16,;-.55,-1.93,;.92,-1.45,;.01,-.2,;.92,1.04,;.15,2.38,;2.38,.57,;3.72,1.34,;2.38,-.97,;-4.55,-1.16,;-5.88,-1.93,;-7.21,-1.16,;-8.55,-1.93,;-7.21,.38,;-5.88,1.16,;-4.55,.38,;-5.88,2.7,;-5.88,4.24,;2.59,-4.03,;4.13,-4.03,)|
CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 |r,wD:6.6,3.2,c:21,t:17,(7.98,-3.26,;6.44,-3.26,;5.67,-1.93,;4.13,-1.93,;3.36,-.59,;1.82,-.59,;1.05,-1.93,;.15,-3.17,;-1.32,-2.7,;-2.65,-3.47,;-3.98,-2.7,;-3.98,-1.16,;-2.65,-.39,;-1.32,-1.16,;.15,-.68,;-.76,.57,;.15,1.81,;-.62,3.15,;1.61,1.34,;2.95,2.11,;1.61,-.2,;-5.32,-.39,;-6.65,-1.16,;-7.98,-.39,;-7.98,1.15,;-6.65,1.93,;-6.65,3.47,;-5.32,1.15,;1.82,-3.26,;3.36,-3.26,)|
CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(cc(c2)C(F)F)C#N)CC1 |r,wD:6.6,3.2,c:21,t:17,(9.32,-3.64,;7.78,-3.64,;7.01,-2.31,;5.47,-2.31,;4.7,-.98,;3.16,-.98,;2.39,-2.31,;1.48,-3.56,;.02,-3.08,;-1.32,-3.85,;-2.65,-3.08,;-2.65,-1.54,;-1.32,-.77,;.02,-1.54,;1.48,-1.06,;.24,-.16,;.71,1.31,;-.06,2.64,;2.25,1.31,;3.02,2.64,;2.73,-.16,;-3.98,-.77,;-5.32,-1.54,;-6.65,-.77,;-6.65,.77,;-5.32,1.54,;-3.98,.77,;-5.32,3.08,;-6.65,3.85,;-3.98,3.85,;-7.98,-1.54,;-9.32,-2.31,;3.16,-3.64,;4.7,-3.64,)|
CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:6.6,3.2,c:21,t:17,(7.98,-4.8,;6.44,-4.8,;5.67,-3.47,;4.13,-3.47,;3.36,-2.13,;1.82,-2.13,;1.05,-3.47,;.15,-4.71,;-1.32,-4.24,;-2.65,-5.01,;-3.98,-4.24,;-3.98,-2.7,;-2.65,-1.93,;-1.32,-2.7,;.15,-2.22,;-.76,-.97,;.15,.27,;-.62,1.61,;1.61,-.2,;2.95,.57,;1.61,-1.74,;-5.32,-1.93,;-6.65,-2.7,;-7.98,-1.93,;-7.98,-.39,;-6.65,.39,;-5.32,-.39,;-6.65,1.93,;-6.65,3.47,;-6.65,5.01,;1.82,-4.8,;3.36,-4.8,)|
c1cc(c(cc1F)F)[C@]23COCC[C@H]2CSC(=N3)N
CC(C)OC[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccccc1F |c:11|
NC1=N[C@]2(CO[C@@H](CO)C[C@H]2CS1)c1ccc(F)cc1F |t:1|
c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF
NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1ccccc1F |t:1|
NC1=N[C@]2(CO[C@@H](COCc3ccccc3)C[C@H]2CO1)c1ccc(F)cc1F |r,t:1|
NC1=N[C@]2(CO[C@@H](COc3ccccc3)C[C@H]2CS1)c1ccccc1F |r,t:1|
NC1=N[C@]2(CO[C@@H](COc3ccccn3)C[C@H]2CS1)c1ccccc1F |r,t:1|
CCOC[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccccc1F |r,c:10|
c1cc(c(cc1F)F)[C@]23COCC[C@H]2CSC(=N3)N
NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(F)cc1 |r,t:1|
NC1=N[C@]2(COCC[C@H]2CS1)c1ccccc1F |r,t:1|
Cc1ccc(c(F)c1)[C@]12COCC[C@H]1CSC(N)=N2 |r,c:19|
NC1=N[C@]2(COCC[C@H]2CS1)c1ccccc1 |r,t:1|
NC1=N[C@]2(CO[C@@H](COC(=O)c3ccccc3)C[C@H]2CS1)c1ccccc1F |r,t:1|
NC1=N[C@]2(COCC[C@H]2CS1)c1c(F)cccc1F |r,t:1|
NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(Cl)cc1F |r,t:1|
NC1=N[C@]2(COCC[C@H]2CS1)c1ccc(O)cc1F |r,t:1|
COc1ccccc1[C@]12COCC[C@H]1CSC(N)=N2 |r,c:19|
NC1=N[C@@]2(COCC[C@@H]2CS1)c1ccc(F)cc1F |r,t:1|
NC1=N[C@]2(CO[C@@H](COc3cnccn3)C[C@H]2CS1)c1ccccc1F |r,t:1|
NC1=N[C@]2(CO[C@@H](COc3ncccn3)C[C@H]2CS1)c1ccccc1F |r,t:1|
NC1=N[C@]2(COCC[C@H]2CS1)c1ccccc1OC(F)(F)F |r,t:1|
COC[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccccc1F |r,c:9|
C[C@H]1SC(N)=N[C@]2(COCC[C@@H]12)c1ccccc1F |r,c:4|
C[C@@H]1SC(N)=N[C@]2(COCC[C@@H]12)c1ccccc1F |r,c:4|
NC1=N[C@]2(CO[C@@H](CO)C[C@H]2CS1)c1ccccc1F |r,t:1|
C[C@H]1SC(N)=N[C@]2(COCC[C@@H]12)c1cc(Br)ccc1F |r,c:4|
C[C@H]1SC(N)=N[C@]2(COCC[C@@H]12)c1cc(ccc1F)-c1cncnc1 |r,c:4|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(C)cn2)ccc1F |r|
COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(C)cn2)ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(NC(=O)c2ccc(F)cn2)c1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1cccc(c1)C#N |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1ccc(F)c(c1)C#N |r|
CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
COc1ccc2Oc3ccc(cc3[C@@]3(N=C(N)N(C)C3=O)c2c1)-c1cncnc1 |r,t:15|
CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1Oc1ccc(cc21)-c1cccnc1F)C1=CCOCC1 |r,c:3,t:33|
COc1ccc2Oc3c(F)cc(cc3[C@@]3(N=C(N)N(C)C3=O)c2c1)-c1ccc(C)cc1 |r,t:16|
CC#Cc1cncc(c1)-c1ccc2Oc3c(F)cc(cc3[C@@]3(N=C(N)N(C)C3=O)c2c1)C1=CCOCC1 |r,t:24,36|
CC#Cc1cncc(c1)-c1ccc2Oc3c(F)cc(cc3[C@]3(N=C(N)N(C)C3=O)c2c1)C1=CCOCC1 |r,t:24,36|
CN1C(N)=N[C@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccc(C)cc1)-c1cccc(Cl)c1 |r,c:3|
CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccc(Cl)c1 |r,c:3,t:26|
CN1C(N)=N[C@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccc(Cl)c1 |r,c:3,t:26|
CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccc(C)cc1)-c1cccc(Cl)c1 |r,c:3|
CN1C(N)=N[C@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,c:3|
CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,c:3|
CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)C1=CCOCC1)-c1cccnc1F |r,c:6,t:26|
CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)C1=CCCOC1)-c1cccnc1F |r,c:6,t:26|
CN1C(=O)C[C@@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)C1=CCOCC1)-c1cccnc1F |r,c:6,t:26|
CN1C(=O)C[C@@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)C1=CCCOC1)-c1cccnc1F |r,c:6,t:26|
CN1C(=O)C[C@@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,c:6|
CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,c:6|
CN1C(=O)CC2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1)-c1cccnc1F |c:6|
CN1C(=O)CC2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1cccnc1F |c:6,t:27|
CN1C(=O)C[C@@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(Cl)cc21)-c1cccnc1F |r,c:6|
CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(Cl)cc21)-c1cccnc1F |r,c:6|
CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,c:6|
CN1C(=N)NC2(CC1=O)c1cc(ccc1Oc1cnc(cc21)-c1cccnc1F)-c1cccnc1F
CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1cccnc1F |r,c:6,t:27|
CN1C(=O)CC2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1F)-c1cccnc1F |c:6|
CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)C1=CC(C)(C)OCC1)-c1cccnc1F |r,c:6,t:27|
CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCOC(C)(C)C1)-c1cccnc1F |r,c:6,t:27|
CN1C(=O)C[C@]2(N=C1N)c1cc(ccc1Oc1c(F)nc(cc21)C1CCOC(C)(C)C1)-c1cccnc1F |r,c:6|
COc1ccc2Oc3ccc(NC(=O)c4ccc(Cl)cn4)cc3C3(N=C(N)N(C)C3=O)c2c1 |t:26|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncco1)c1ccc(F)cc1F |r,t:1|
Cn1ccc(n1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |r,c:13|
Cn1cccc1[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |r,c:13|
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1nc(C)co1)c1ccc(F)cc1F |r,c:4|
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1ncc(C)o1)c1ccc(F)cc1F |c:4|
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1ncco1)c1ccc(F)cc1F |c:4|
CC1N=CC(=N1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:2,4,13|
Cc1csc(n1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:13|
Cc1nccc(n1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:14|
Cc1nc(co1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:13|
Cc1ccnc(n1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:14|
Cc1noc(n1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:13|
NC1=N[C@]2(CO[C@H](CC2CS1)c1nnco1)c1ccc(F)cc1F |t:1|
Cc1nc(oc1C)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:14|
Cc1cc(on1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |r,c:13|
Cc1nnc(o1)[C@H]1CC2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:13|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccncn1)c1ccc(F)cc1F |r,t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccn(n1)C1CC1)c1ccc(F)cc1F |r,t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1nc(co1)C(F)(F)F)c1ccc(F)cc1F |r,t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncccn1)c1ccc(F)cc1F |r,t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncc(F)cn1)c1ccc(F)cc1F |r,t:1|
Cc1cnc(nc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |r,c:14|
Cc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)ccc1O
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(Cl)c2)cc1
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c(OC)c1
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2OC)ccc1O
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2OC)cc1O
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2O)cc1
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2O)cc1O
COc1cc(OC)cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)c1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2c[nH]c3ccccc23)cc1
COc1ccc2ccccc2c1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OC)c3ccccc23)ccc1O
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2Cl)cc1
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2Cl)ccc1O
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2Cl)cc1O
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2[N+]([O-])=O)cc1
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2[N+]([O-])=O)ccc1O
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2[N+]([O-])=O)cc1O
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)ccc1F
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(F)c(OC)c2)ccc1O
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2c[nH]c3ccccc23)ccc1O
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cccc3ccccc23)ccc1O
COc1cc(ccc1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1)N(C)C
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(N(C)C)c3ccccc23)cc1O
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cccc(O)c2OC)cc1O
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc3[nH]ccc3c2)ccc1O
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc3cc[nH]c3c2)cc1
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(cc2[N+]([O-])=O)N(C)C)ccc1O
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc3[nH]ccc3c2)cc1O
CN(C)c1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c(c1)[N+]([O-])=O
CN(C)c1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c(Cl)c1
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(cc2Cl)N(C)C)ccc1O
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(cc2[N+]([O-])=O)N(C)C)cc1O
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(cc2Cl)N(C)C)cc1O
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)cc(OC)c1OC
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc1O
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cccc(Oc3ccccc3)c2)cc1O
COCOc1c(O)cccc1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1
COc1cccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c1O
COc1ccc(O)c(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c1
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)c(O)c1
COCOc1cccc(O)c1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)c(OC)c1
CCN(CC)c1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c(OCOC)c1
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2c(O)cccc2OC)ccc1O
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2c(O)cccc2OC)cc1O
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(Cl)cc(Cl)c2O)cc1
COCOc1cccc(O)c1\C=C\C(=O)CC(=O)\C=C\c1ccc(OC)c(O)c1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cccc3cccnc23)cc1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cn(Cc3ccccc3)c3ccccc23)cc1
COc1cc(O)cc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)cc(OC)c2)c1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2Cl)c(Cl)c1
COc1ccc(O)cc1\C=C\C(=O)CC(=O)\C=C\c1cc(O)ccc1OC
Oc1ccc(c(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2[N+]([O-])=O)c1)[N+]([O-])=O
O=C(CC(=O)\C=C\c1cccc2cc[nH]c12)\C=C\c1cccc2cc[nH]c12
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc3ccn(Cc4ccccc4)c3c2)cc1
CS(=O)(=O)n1ccc2ccc(\C=C\C(=O)CC(=O)\C=C\c3ccc(O)cc3)cc12
CC(C)(C)[Si](C)(C)OCc1ccccc1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1
CCN(CC)c1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c(OCc2ccccc2)c1
N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)cc1
N[C@H](Cc1ccccc1)C(=O)Nc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)cc1
[#6]-[#6]-[#7](-[#6]-[#6])-c1ccc(\[#6]=[#6]\[#6](=O)-[#6]-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6])c1
CCN(CC)c1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c(OC(C)C)c1
COCOc1ccc(OC)cc1\C=C\C(=O)CC(=O)\C=C\c1cc(OC)ccc1O
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2c[nH]c3cccc([N+]([O-])=O)c23)cc1
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2c[nH]c3cccc([N+]([O-])=O)c23)cc1O
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cccc(Br)c2)cc1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(Cl)ccc2[N+]([O-])=O)cc1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccccc2C(F)(F)F)cc1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(F)cc(F)c2)cc1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccccc2-c2ccccc2)cc1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(ccc2F)C(F)(F)F)cc1
CCCN(CCC)C(=O)c1cccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(OCc3ccccc3)ccc2[N+]([O-])=O)cc1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccccc2[N+]([O-])=O)cc1
COC(=O)c1ccccc1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1
COc1ccc(c(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c1)[N+]([O-])=O
CSc1ccccc1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1
Oc1ccc(cc1)C(CC(=O)CC(=O)C=C)c1ccc2cc[nH]c2c1
Oc1ccc(CCC(=O)CC(=O)\C=C\c2ccc3ccn(Cc4ccccc4)c3c2)cc1
Oc1ccc(CCC(=O)CC(=O)\C=C\c2ccc(O)cc2Cl)cc1
CN(C)c1ccc(\C=C\C(=O)CC(=O)CCc2ccc(O)cc2)c(c1)[N+]([O-])=O
CN(C)c1ccc(\C=C\C(=O)CC(=O)CCc2ccc(O)cc2)c(Cl)c1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2-c2ccccc2)cc1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(OCc3ccccc3)ccc2-c2ccccc2)cc1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccccc2-c2cccc3ccccc23)cc1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccccc2-c2ccc3ccccc3c2)cc1
Oc1ccc(CCC(=O)CC(=O)\C=C\c2cc(O)ccc2[N+]([O-])=O)cc1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(OCc3ccccc3)ccc2Br)cc1
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)ccc2Br)cc1
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2)c(Br)cc1O
Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2cc(O)c(Br)cc2Br)cc1
COc1cc(F)c2Oc3ccc(cc3C3(N=C(N)n4ccnc34)c2c1)-c1cccnc1F |t:16|
NC1=N[C@@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
NC1=N[C@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
NC1=N[C@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCCOC1)-c1cccnc1F |r,t:1,28|
NC1=N[C@@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCCOC1)-c1cccnc1F |r,t:1,28|
Cc1ccc(cc1)-c1cc(F)c2Oc3ccc(cc3[C@@]3(N=C(N)n4ccnc34)c2c1)-c1cccnc1F |r,t:22|
Cc1ccc(cc1)-c1cc(F)c2Oc3ccc(cc3[C@]3(N=C(N)n4ccnc34)c2c1)-c1cccnc1F |r,t:22|
NC1=N[C@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(c3nccn13)c1cc(ccc1Oc1c(F)cc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F |r,t:1|
COc1cc(F)c2Oc3ccc(cc3[C@]3(N=C(N)N4CCCN=C34)c2c1)-c1cccnc1F |r,t:16,23|
NC1=NC2(CO1)c1cc(Br)ccc1OCC21CCCO1 |t:1|
NC1=NC2(CO1)c1cc(Br)ccc1OCC21COC1 |t:1|
NC1=NC2(CO1)c1cc(Br)ccc1OC1(CCC1)C21COC1 |t:1|
COCc1cnn(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:28|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncnc1 |t:1|
CC1(C)Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 |c:16|
C[C@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C11COC1 |r,c:15|
C[C@@H]1Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C11COC1 |r,c:15|
CCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 |c:16|
NC1=NC2(CO1)c1cc(Br)ccc1OCC21CCC1 |t:1|
NC1=NC2(CO1)c1cc(Br)ccc1OC1(CCCC1)C21COC1 |t:1|
CCCC1Oc2ccc(Br)cc2C2(COC(N)=C2)C11COC1 |c:17|
NC1=NC2(CO1)c1cc(Br)ccc1OC(C1CC1)C21COC1 |t:1|
CC(C)CC1Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 |c:18|
NC1=NC2(CO1)c1cc(Br)ccc1OC(CCC(F)(F)F)C21COC1 |t:1|
NC1=NC2(CO1)c1cc(Br)ccc1OC(Cc1ccccc1)C21COC1 |t:1|
NC1=NC2(CO1)c1cc(Br)ccc1OC(CC1CC1)C21COC1 |t:1|
NC1=NC2(CO1)c1cc(Br)ccc1OCC21CC1 |t:1|
NC1=NC2(CO1)c1cc(Br)c(F)cc1OCC21CC1 |t:1|
COCC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 |c:27|
NC1=NC2(CO1)c1cc(ccc1OCC21COC1)-c1cncc(c1)C#C |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21COC1)C1=CCOCC1 |t:1,22|
NC1=NC2(CO1)c1cc(Nc3ccccn3)ccc1OCC21COC1 |t:1|
COc1cccnc1Nc1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 |c:25|
CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2C2(COC(N)=N2)C11COC1 |c:26|
CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2C2(COC(N)=N2)C11COC1 |c:26|
NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Cl)cc3F)ccc1OCC21CC1 |t:1|
CC1(C)Oc2ccc(NC(=O)c3ncc(Cl)cc3F)cc2C2(COC(N)=N2)C11COC1 |c:27|
NC1=NC2(CO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1OCC21CC1 |t:1|
NC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1OCC21CC1 |t:1|
COc1ccc(F)c(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 |c:25|
NC1=NC2(CO1)c1cc(ccc1OCC21COC1)-c1cc(Cl)cnc1F |t:1|
COCCCc1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 |c:20|
NC1=NC2(CO1)c1cc(ccc1OCC21COC1)-c1cncnc1 |t:1|
Cc1cccc(CCc2ccc3OCC4(COC4)C4(COC(N)=N4)c3c2)c1 |c:23|
NC1=NC2(c3cccc(F)c13)c1cc(Br)ccc1OCC21CC1 |t:1|
NC1=NC2(CS1)c1cc(Br)ccc1OCC21COC1 |t:1|
CC1(C)Oc2ccc(Br)cc2C2(CSC(N)=N2)C11COC1 |c:16|
NC1=NC2(CO1)c1cc(Nc3ncccc3Cl)ccc1OCC21COC1 |t:1|
NC1=NC2(CO1)c1cc(Nc3ncccc3Cl)ccc1OC1(CCC1)C21COC1 |t:1|
COc1cccnc1Nc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:29|
CC(C)Cc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:23|
CCC(CC)Cc1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:25|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C#CC1CC1 |t:1|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 |c:15|
CC#Cc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 |c:24|
CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 |c:25|
CC1(C)Oc2ccc(cc2C2(CSC(N)=N2)C11COC1)-c1cncnc1 |c:15|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(c1)C1CC1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)(F)F)c1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)F)c1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OC(F)F)c1 |t:1|
CCc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 |c:23|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(OCC(F)(F)C(F)F)c1 |t:1|
CC#Cc1cncc(c1)-c1ccc2OCC3(COC3)C3(CSC(N)=N3)c2c1 |c:25|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(F)c1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1F |t:1|
COc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:28|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cc(Cl)cnc1F |t:1|
Cc1ncccc1-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:27|
Cc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:27|
Cc1cnnc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:27|
C[C@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cccnc1F |r,c:14|
C[C@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cncnc1 |r,c:14|
C[C@@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cccnc1F |r,c:14|
C[C@@H]1Oc2ccc(cc2[C@@]2(COC(N)=N2)C11COC1)-c1cncnc1 |r,c:14|
COc1cncc(c1)-c1ccc2O[C@H](C)C3(COC3)[C@]3(COC(N)=N3)c2c1 |r,c:25|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccnc1F |c:15|
COc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:26|
CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 |c:15|
NC1=NC2(CO1)c1cc(ccc1OC1(CCCC1)C21COC1)-c1cncnc1 |t:1|
CCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC |c:15|
NC1=NC2(CO1)c1cc(ccc1OC(C1CC1)C21COC1)-c1cncnc1 |t:1|
CC(C)CC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 |c:17|
CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncnc1 |c:16|
CCCC1Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#CC |c:16|
NC1=NC2(CO1)c1cc(ccc1OC(CCC(F)(F)F)C21CCC1)-c1cncnc1 |t:1|
CC#Cc1cncc(c1)-c1ccc2OC(CCC(F)(F)F)C3(COC3)C3(COC(N)=N3)c2c1 |c:31|
NC1=NC2(CO1)c1cc(ccc1OCC21CCCO1)-c1cncnc1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C(F)(F)F |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncnc1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CCC1)-c1cncnc1 |t:1|
NC1=NC2(CO1)c1cc(c(F)cc1OCC21CC1)-c1cncnc1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cccnc1F |t:1|
COc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 |c:23|
CCOc1cncc(c1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 |c:24|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cncc(Cl)c1 |t:1|
CC#Cc1cncc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:29|
CC#Cc1cncc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:27|
CC#Cc1cncc(c1)-c1cc2c(OCC3(CC3)C22COC(N)=N2)cc1F |c:25|
CC#Cc1cncc(c1)-c1ccc2OCC3(CCC3)C3(COC(N)=N3)c2c1 |c:25|
NC1=NC2(COC1)c1cc(Br)ccc1OCC21COC1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1C#N |t:1|
Cc1cnc(F)c(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:28|
Cc1ncncc1-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:27|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C(F)F |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccc(F)nc1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc(c1)C#N |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccc(F)nc1F |t:1|
COc1cc(c(F)cn1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:29|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccccc1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccccc1F |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(F)c1 |t:1|
COc1cccc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:28|
Cc1cccc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:27|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(c1)C#N |t:1|
CCOc1cc(cc(c1)C(F)(F)F)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:33|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cc(F)ccc1F |t:1|
CCOc1cccc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:29|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(\C=C\C#N)c1 |t:1|
CCOc1cc(F)cc(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:30|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccc(F)c(c1)C#N |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)C1=CCCCC1 |t:1,26|
COc1ccc(F)c(c1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:29|
COc1cccc(c1F)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:29|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccc(F)c1F |t:1|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(Cl)c1 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(c1)C1CC1 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(c1)C(F)(F)F |c:15|
COc1cccc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:26|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(OCC(F)(F)F)c1 |c:15|
CCOc1cccc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:27|
CCSc1cccc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:27|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)cc(Cl)c1 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)cc(F)c1 |c:15|
Cc1cc(F)cc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:26|
Cc1cnc(Cl)c(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:26|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(Cl)cnc1Cl |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)cnc1Cl |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccnc1Cl |c:15|
Cc1cc(cnc1F)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:26|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)ncc1Cl |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccnc(Cl)c1Cl |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(c1)C#N |c:15|
COc1cc(c(F)cn1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:27|
COc1cc(c(Cl)cn1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:27|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)C1=CCCCCC1 |c:15,t:24|
CC1CCC(=CC1)c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:4,25|
CCC\C=C\c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:22|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(O)cc(F)c1 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(ccc1F)C#N |c:15|
CNC(=O)c1cc(F)cc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:29|
CCC1CCC(=CC1)c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:5,26|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(Cl)c1 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2[nH]ccc2c1 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cc[nH]c12 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2nonc2c1 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cccnc12 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2cnccc12 |c:15|
COC\C=C\c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:22|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(OC(F)(F)F)c1 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccccc1OC(F)(F)F |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1c(F)ccc(F)c1F |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc(OC(F)F)cc1 |c:15|
NC1=NC2(CO1)c1cc(Br)ccc1OCC21CC(F)(F)C1 |t:1|
NC1=NC2(CO1)c1cc(NC(=O)c3ncc(Br)cn3)ccc1OCC21CC1 |t:1|
CC1(C)Oc2ccc(NC(=O)c3ncc(Br)cn3)cc2C2(COC(N)=N2)C11COC1 |c:26|
Cc1cc(cnc1C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1)C#N |c:25|
NC1=NC2(CO1)c1cc(NC(=O)c3ncc(cc3Cl)C#N)ccc1OCC21CC1 |t:1|
COc1cnc(cn1)C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 |c:26|
Cc1cc(Cl)cnc1C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 |c:26|
Cc1cc(Cl)cnc1C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:29|
NC1=NC2(CO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1OCC21CC1 |t:1|
CC1(C)Oc2ccc(NC(=O)c3ccc(cn3)C#N)cc2C2(COC(N)=N2)C11COC1 |c:27|
NC1=NC2(c3cc(ccc3OCC22CC2)-c2cncnc2)C(F)(F)CS1 |t:1|
NC1=NC2(c3cccc(F)c13)c1cc(ccc1OCC21CC1)-c1cncnc1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC(Cc1ccccc1)C21COC1)-c1cncnc1 |t:1|
CC#Cc1cncc(c1)-c1ccc2OC(Cc3ccccc3)C3(COC3)C3(COC(N)=N3)c2c1 |c:33|
NC1=NC2(CO1)c1cc(ccc1OC(CC1CC1)C21COC1)-c1cncnc1 |t:1|
CC#Cc1cncc(c1)-c1ccc2OC(CC3CC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:30|
NC1=NC2(c3cc(ccc3OCC22CC2)-c2cncnc2)C(F)(F)CO1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OCC21CC(F)(F)C1)-c1cncnc1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cccnc1C(F)(F)F |t:1|
NC1=NC2(COC1)c1cc(Br)ccc1OCC21CC1 |t:1|
NC1=NC2(COC1)c1cc(ccc1OCC21CC1)-c1cncnc1 |t:1|
NC1=NC2(c3cc(Br)ccc3OCC22CC2)C(F)(F)CO1 |t:1|
CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 |r,c:26|
CC1(C)Oc2ccc(NC(=O)c3ccc(Br)cn3)cc2[C@@]2(COC(N)=N2)C11COC1 |r,c:26|
COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)[C@]3(COC(N)=N3)c2c1 |r,c:29|
CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@@]2(COC(N)=N2)C11CC1 |r,c:26|
CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2[C@@]2(COC(N)=N2)C11CC1 |r,c:26|
COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(CC3)[C@]3(COC(N)=N3)c2c1 |r,c:28|
CC1(C)Oc2ccc(NC(=O)c3cnc(cn3)C(F)F)cc2[C@@]2(COC(N)=N2)C11CC1 |r,c:28|
COc1cnc(cn1)C(=O)Nc1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:29|
CC1(C)Oc2ccc(NC(=O)c3ccc(Cl)cn3)cc2[C@]2(COC(N)=N2)C11COC1 |r,c:26|
CC#Cc1cc(ccn1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 |c:25|
CC#Cc1cc(ncn1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 |c:25|
CC#Cc1cncc(n1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 |c:25|
Cc1cc(ccn1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 |c:23|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cnc2[nH]cc(Cl)c2c1 |t:1|
COc1ccnc(c1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:26|
Cc1cn2ccc(cc2n1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:31|
Cc1cn2cc(ccc2n1)-c1ccc2OC3(CCC3)C3(COC3)C3(COC(N)=N3)c2c1 |c:31|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cc(Cl)cnc1F |t:1|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(F)ccn1 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cncc(Cl)n1 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cc(Cl)cnc1F |c:15|
COc1ncc(Cl)cc1-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:27|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccnc(Cl)c1 |c:15|
COc1cc(ccn1)-c1ccc2OC(C)(C)C3(COC3)C3(COC(N)=N3)c2c1 |c:26|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cnc2[nH]ccc2c1 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2[nH]ncc12 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2[nH]ncc2c1 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1ccc2OCOc2c1 |c:15|
CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc2[nH]ccc12 |c:15|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cncc2ccccc12 |t:1|
NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1cnc2ccccc2c1 |t:1|
Cn1cc2cc(ccc2n1)-c1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1 |c:26|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2ccc(F)cn2)c1 |r,t:1|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2cnc(CO)cn2)c1 |r,t:1|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:1|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2cnc(CO)cn2)ccc1F |r,t:1|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2ccc(cn2)[N+]#[C-])c1 |r,t:1|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2ncc(F)cc2F)c1 |r,t:1|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,t:1|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r,t:1|
CC[C@@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)[N+]#[C-])CC[C@@H]1OC |r,t:15|
CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CCOCC3)C2=O)C#N)CC[C@H]1OC |r,t:15|
CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)CC[C@H]1OC |r,t:15|
CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCOCC3)C2=O)C#N)CC[C@H]1OC |r,t:15|
CC[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3CCCO3)C2=O)C#N)CC[C@@H]1OC |r,t:15|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)C#N)C[C@@H]1C |r,t:16|
COCCN1C(N)=N[C@@]2(C1=O)c1cc(ccc1C[C@@]21CC[C@H](OC)[C@@H](C)C1)C#N |r,c:6|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(C)COC3)C2=O)C#N)C[C@@H]1C |r,t:16|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccncn3)C2=O)C#N)C[C@@H]1C |r,t:16|
CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncc(F)cn3)C2=O)C#N)C[C@H]1C |r,t:17|
CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(C)COC3)C2=O)C#N)C[C@H]1C |r,t:17|
CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C3COC3)C2=O)C#N)C[C@H]1C |r,t:17|
CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3COC3)C2=O)C#N)C[C@H]1C |r,t:17|
CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3CCCO3)C2=O)C#N)C[C@H]1C |r,t:17|
CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3CCCO3)C2=O)C#N)C[C@H]1C |r,t:17|
CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CCOCC3)C2=O)C#N)C[C@H]1C |r,t:17|
CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)C[C@H]1C |r,t:17|
CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3CCO3)C2=O)C#N)C[C@H]1C |r,t:17|
CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CCC3COC3)C2=O)C#N)C[C@H]1C |r,t:17|
CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3COCCO3)C2=O)C#N)C[C@H]1C |r,t:17|
CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@H]3COCCO3)C2=O)C#N)C[C@H]1C |r,t:17|
CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCOCC3)C2=O)C#N)C[C@H]1C |r,t:17|
CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccncn3)C2=O)C#N)C[C@H]1C |r,t:17|
CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)C[C@H](C)[C@H]1OC |r,t:15|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3COCCO3)C2=O)C#N)C[C@@H]1C |r,t:16|
C[C@]1(CC(=C)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:7|
C[C@]1(CC(=C)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:7|
C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(CCOC(=N3)N)C(F)F)F
CC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1,5|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=C)OC(N)=N1 |r,c:27|
C[C@]1(CC(=C)OC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:7|
C[C@]1(CC(=C)OC(N)=N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r,c:7|
C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl |r,c:6|
C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:6|
C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:6|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCOC(N)=N1 |r,c:26|
C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r,c:6|
CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CCOC(N)=N1 |r,c:22|
CC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r,t:1,5|
CC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:1,5|
CC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r,t:1,5|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(C)OC(N)=N1 |r,c:27,t:22|
CC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1F |r,t:1,5|
CC(C)COc1ccc2C[C@@]3(CC[C@H](O)CC3)[C@@]3(N=C(C)C(N)=N3)c2c1 |r,wD:10.9,17.18,13.13,c:23,t:19,(-5.5,3.47,;-5.5,1.93,;-6.83,1.15,;-4.16,1.15,;-4.16,-.38,;-2.83,-1.15,;-2.83,-2.69,;-1.49,-3.47,;-.16,-2.69,;1.3,-3.17,;2.21,-1.93,;2.98,-.59,;4.52,-.59,;5.29,-1.93,;6.83,-1.93,;4.52,-3.26,;2.98,-3.26,;1.3,-.68,;.4,.57,;1.3,1.81,;.53,3.15,;2.77,1.34,;4.1,2.11,;2.77,-.2,;-.16,-1.15,;-1.49,-.38,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)(F)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:26,t:22,(7.88,-3.1,;7.11,-1.77,;5.57,-1.77,;4.8,-.43,;3.26,-.43,;2.49,-1.77,;1.59,-3.01,;.12,-2.54,;-1.21,-3.31,;-2.55,-2.54,;-2.55,-1,;-3.88,-.23,;-5.21,-1,;-6.55,-.23,;-7.88,-1,;-5.78,1.11,;-7.32,1.11,;-1.21,-.23,;.12,-1,;1.59,-.52,;.68,.73,;1.59,1.97,;.82,3.31,;3.05,1.5,;4.38,2.27,;3.05,-.04,;3.26,-3.1,;4.8,-3.1,)|
CC1=NC2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1 |r,wD:15.16,18.21,c:4,t:1,(-.8,3.31,;-.03,1.97,;-.94,.73,;-.03,-.52,;1.43,-.04,;1.43,1.5,;2.77,2.27,;-1.49,-1,;-2.83,-.23,;-4.16,-1,;-5.5,-.23,;-4.16,-2.54,;-2.83,-3.31,;-1.49,-2.54,;-.03,-3.01,;.88,-1.77,;1.65,-.43,;3.19,-.43,;3.96,-1.77,;5.5,-1.77,;3.19,-3.1,;1.65,-3.1,)|
CC1=N[C@@]2(N=C1N)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1 |r,wD:15.16,3.2,18.21,c:4,t:1,(-.8,3.31,;-.03,1.97,;-.94,.73,;-.03,-.52,;1.43,-.04,;1.43,1.5,;2.77,2.27,;-1.49,-1,;-2.83,-.23,;-4.16,-1,;-5.5,-.23,;-4.16,-2.54,;-2.83,-3.31,;-1.49,-2.54,;-.03,-3.01,;.88,-1.77,;1.65,-.43,;3.19,-.43,;3.96,-1.77,;5.5,-1.77,;3.19,-3.1,;1.65,-3.1,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)C#CC2CCC2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.27,-3.04,;7.5,-1.7,;5.96,-1.7,;5.19,-.37,;3.65,-.37,;2.88,-1.7,;1.97,-2.95,;.51,-2.47,;-.83,-3.24,;-2.16,-2.47,;-2.16,-.93,;-.83,-.16,;.51,-.93,;1.97,-.46,;.72,.45,;1.2,1.91,;.43,3.24,;2.74,1.91,;3.51,3.24,;3.22,.45,;-3.49,-.16,;-4.83,.61,;-6.16,1.38,;-6.93,2.71,;-8.27,1.94,;-7.5,.61,;3.65,-3.04,;5.19,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)C#CC2CCC2)CC1 |r,wD:5.5,2.1,13.15,c:20,t:16,(8.27,-3.04,;7.5,-1.7,;5.96,-1.7,;5.19,-.37,;3.65,-.37,;2.88,-1.7,;1.97,-2.95,;.51,-2.47,;-.83,-3.24,;-2.16,-2.47,;-2.16,-.93,;-.83,-.16,;.51,-.93,;1.97,-.46,;.72,.45,;1.2,1.91,;.43,3.24,;2.74,1.91,;3.51,3.24,;3.22,.45,;-3.49,-.16,;-4.83,.61,;-6.16,1.38,;-6.93,2.71,;-8.27,1.94,;-7.5,.61,;3.65,-3.04,;5.19,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)C#CC(C)C)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,.61,;-6.55,1.38,;-7.88,.61,;-6.55,2.92,;3.26,-3.04,;4.8,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(C)C(N)=N2)C#CC(C)C)CC1 |r,wD:5.5,2.1,13.15,c:20,t:16,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-5.21,.61,;-6.55,1.38,;-7.88,.61,;-6.55,2.92,;3.26,-3.04,;4.8,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:20.22,wD:5.5,2.1,c:27,t:23,(7.21,-3.64,;6.44,-2.31,;4.9,-2.31,;4.13,-.98,;2.59,-.98,;1.82,-2.31,;.92,-3.56,;-.55,-3.08,;-1.88,-3.85,;-3.21,-3.08,;-3.21,-1.54,;-4.55,-.77,;-4.55,.77,;-5.88,1.54,;-5.88,3.08,;-7.21,3.85,;-4.55,3.85,;-7.21,2.31,;-1.88,-.77,;-.55,-1.54,;.92,-1.06,;-.33,-.16,;.15,1.31,;-.62,2.64,;1.69,1.31,;2.46,2.64,;2.16,-.16,;2.59,-3.64,;4.13,-3.64,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3[C@]22N=C(C)C(N)=N2)CC1 |r,wU:20.28,wD:5.5,2.1,c:27,t:23,(7.21,-3.64,;6.44,-2.31,;4.9,-2.31,;4.13,-.98,;2.59,-.98,;1.82,-2.31,;.92,-3.56,;-.55,-3.08,;-1.88,-3.85,;-3.21,-3.08,;-3.21,-1.54,;-4.55,-.77,;-4.55,.77,;-5.88,1.54,;-5.88,3.08,;-4.55,3.85,;-7.21,3.85,;-7.21,2.31,;-1.88,-.77,;-.55,-1.54,;.92,-1.06,;.01,.18,;.92,1.43,;.15,2.76,;2.38,.95,;3.72,1.72,;2.38,-.59,;2.59,-3.64,;4.13,-3.64,)|
CC1=N[C@]2(N=C1N)c1cc(OCCCF)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F |r,wU:3.2,wD:19.20,22.28,c:4,t:1,(-.62,3.33,;.15,1.99,;-.76,.75,;.15,-.5,;1.61,-.02,;1.61,1.52,;2.95,2.29,;-1.32,-.98,;-2.65,-.21,;-3.98,-.98,;-5.32,-.21,;-5.32,1.33,;-6.65,2.1,;-6.65,3.64,;-7.98,4.41,;-3.98,-2.52,;-2.65,-3.29,;-1.32,-2.52,;.15,-2.99,;1.05,-1.75,;1.82,-.41,;3.36,-.41,;4.13,-1.75,;3.36,-3.08,;1.82,-3.08,;5.67,-1.75,;6.44,-3.08,;7.98,-3.08,;5.67,-4.41,)|
CC1=N[C@@]2(N=C1N)c1cc(OCCCF)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F |r,wU:3.3,wD:19.20,22.28,c:4,t:1,(-.62,3.33,;.15,1.99,;-.76,.75,;.15,-.5,;1.61,-.02,;1.61,1.52,;2.95,2.29,;-1.32,-.98,;-2.65,-.21,;-3.98,-.98,;-5.32,-.21,;-5.32,1.33,;-6.65,2.1,;-6.65,3.64,;-7.98,4.41,;-3.98,-2.52,;-2.65,-3.29,;-1.32,-2.52,;.15,-2.99,;1.05,-1.75,;1.82,-.41,;3.36,-.41,;4.13,-1.75,;3.36,-3.08,;1.82,-3.08,;5.67,-1.75,;6.44,-3.08,;7.98,-3.08,;5.67,-4.41,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:25,t:21,(7.88,-3.1,;7.11,-1.77,;5.57,-1.77,;4.8,-.43,;3.26,-.43,;2.49,-1.77,;1.59,-3.01,;.12,-2.54,;-1.21,-3.31,;-2.55,-2.54,;-2.55,-1,;-3.88,-.23,;-5.21,-1,;-6.55,-.23,;-6.55,1.31,;-7.88,-1,;-1.21,-.23,;.12,-1,;1.59,-.52,;.68,.73,;1.59,1.97,;.82,3.31,;3.05,1.5,;4.38,2.27,;3.05,-.04,;3.26,-3.1,;4.8,-3.1,)|
CC1=N[C@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@H](O)CC1)-c1cc(Cl)cc(c1)C#N |r,wU:3.2,wD:14.15,17.20,c:4,t:1,(1.87,3.15,;2.64,1.81,;1.73,.57,;2.64,-.68,;4.1,-.2,;4.1,1.34,;5.44,2.11,;1.17,-1.15,;-.16,-.38,;-1.49,-1.15,;-1.49,-2.69,;-.16,-3.46,;1.17,-2.69,;2.64,-3.17,;3.54,-1.92,;4.31,-.59,;5.85,-.59,;6.62,-1.92,;8.16,-1.92,;5.85,-3.26,;4.31,-3.26,;-2.83,-.38,;-2.83,1.16,;-4.16,1.92,;-4.16,3.46,;-5.5,1.16,;-5.5,-.38,;-4.16,-1.15,;-6.83,-1.15,;-8.16,-1.92,)|
CC1=N[C@@]2(N=C1N)c1cc(ccc1C[C@@]21CC[C@H](O)CC1)-c1cc(Cl)cc(c1)C#N |r,wU:3.3,wD:14.15,17.20,c:4,t:1,(1.87,3.15,;2.64,1.81,;1.73,.57,;2.64,-.68,;4.1,-.2,;4.1,1.34,;5.44,2.11,;1.17,-1.15,;-.16,-.38,;-1.49,-1.15,;-1.49,-2.69,;-.16,-3.46,;1.17,-2.69,;2.64,-3.17,;3.54,-1.92,;4.31,-.59,;5.85,-.59,;6.62,-1.92,;8.16,-1.92,;5.85,-3.26,;4.31,-3.26,;-2.83,-.38,;-2.83,1.16,;-4.16,1.92,;-4.16,3.46,;-5.5,1.16,;-5.5,-.38,;-4.16,-1.15,;-6.83,-1.15,;-8.16,-1.92,)|
CC(C)O[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:7.7,4.3,c:23,t:19,(3.78,-4.36,;4.87,-3.27,;6.36,-3.67,;4.47,-1.78,;2.99,-1.39,;2.59,.1,;1.1,.5,;.01,-.59,;-.89,-1.83,;-2.36,-1.36,;-3.69,-2.13,;-5.03,-1.36,;-5.03,.18,;-6.36,.95,;-3.69,.95,;-2.36,.18,;-.89,.66,;-2.14,1.56,;-1.66,3.03,;-2.43,4.36,;-.12,3.03,;.65,4.36,;.35,1.56,;.41,-2.08,;1.9,-2.47,)|
CC(C)O[C@H]1CC[C@@]2(Cc3ccc(OCCCF)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:7.7,4.3,c:27,t:23,(6.45,-4.36,;7.54,-3.27,;9.03,-3.67,;7.14,-1.78,;5.65,-1.39,;5.25,.1,;3.77,.5,;2.68,-.59,;1.77,-1.83,;.31,-1.36,;-1.02,-2.13,;-2.36,-1.36,;-2.36,.18,;-3.69,.95,;-5.03,.18,;-6.36,.95,;-7.69,.18,;-9.03,.95,;-1.02,.95,;.31,.18,;1.77,.66,;.53,1.56,;1,3.03,;.23,4.36,;2.54,3.03,;3.31,4.36,;3.02,1.56,;3.08,-2.08,;4.56,-2.47,)|
CC[C@@H](C)Oc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(C)C(N)=N3)c2c1 |r,wD:10.9,13.16,2.3,c:24,t:20,(-7.88,-1,;-6.55,-.23,;-5.21,-1,;-5.21,-2.54,;-3.88,-.23,;-2.55,-1,;-2.55,-2.54,;-1.21,-3.31,;.12,-2.54,;1.59,-3.01,;2.49,-1.77,;3.26,-.43,;4.8,-.43,;5.57,-1.77,;4.8,-3.1,;3.26,-3.1,;7.11,-1.77,;7.88,-3.1,;1.59,-.52,;.68,.73,;1.59,1.97,;.82,3.31,;3.05,1.5,;4.38,2.27,;3.05,-.04,;.12,-1,;-1.21,-.23,)|
CO[C@H]1CC[C@@]2(Cc3ccc(O)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:14.16,wD:5.5,2.1,c:21,t:17,(5.88,-3.1,;5.11,-1.77,;3.57,-1.77,;2.8,-.43,;1.26,-.43,;.49,-1.77,;-.41,-3.01,;-1.88,-2.54,;-3.21,-3.31,;-4.55,-2.54,;-4.55,-1,;-5.88,-.23,;-3.21,-.23,;-1.88,-1,;-.41,-.52,;-1.32,.73,;-.41,1.97,;-1.18,3.31,;1.05,1.5,;2.38,2.27,;1.05,-.04,;1.26,-3.1,;2.8,-3.1,)|
CC#Cc1cncc(c1)-c1ccc2C[C@@]3(CC[C@H](O)CC3)[C@@]3(N=C(C)C(N)=N3)c2c1 |r,wU:21.29,wD:14.14,17.18,c:28,t:24,(-8.83,-2.54,;-7.5,-1.77,;-6.16,-1,;-4.83,-.23,;-4.83,1.31,;-3.49,2.08,;-2.16,1.31,;-2.16,-.23,;-3.49,-1,;-.83,-1,;-.83,-2.54,;.51,-3.31,;1.84,-2.54,;3.3,-3.01,;4.21,-1.77,;4.98,-.43,;6.52,-.43,;7.29,-1.77,;8.83,-1.77,;6.52,-3.1,;4.98,-3.1,;3.3,-.52,;2.4,.73,;3.3,1.97,;2.53,3.31,;4.77,1.5,;6.1,2.27,;4.77,-.04,;1.84,-1,;.51,-.23,)|
CO[C@H]1CC[C@@]2(Cc3cc(C)c(Br)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:22,t:18,(5.88,-3.04,;5.11,-1.7,;3.57,-1.7,;2.8,-.37,;1.26,-.37,;.49,-1.7,;-.41,-2.95,;-1.88,-2.47,;-3.21,-3.24,;-4.55,-2.47,;-5.88,-3.24,;-4.55,-.93,;-5.88,-.16,;-3.21,-.16,;-1.88,-.93,;-.41,-.46,;-1.66,.45,;-1.18,1.91,;-1.95,3.24,;.36,1.91,;1.13,3.24,;.83,.45,;1.26,-3.04,;2.8,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3cc(C)c(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:21,t:17,(7.21,-4.8,;6.44,-3.47,;4.9,-3.47,;4.13,-2.13,;2.59,-2.13,;1.82,-3.47,;.92,-4.71,;-.55,-4.24,;-1.88,-5.01,;-3.21,-4.24,;-4.55,-5.01,;-3.21,-2.7,;-1.88,-1.93,;-.55,-2.7,;.92,-2.22,;-.33,-1.31,;.15,.15,;-.62,1.48,;1.69,.15,;2.46,1.48,;2.16,-1.31,;-4.55,-1.93,;-5.88,-2.7,;-7.21,-1.93,;-7.21,-.39,;-5.88,.39,;-4.55,-.39,;-5.88,1.93,;-5.88,3.47,;-5.88,5.01,;2.59,-4.8,;4.13,-4.8,)|
CO[C@H]1CC[C@@]2(Cc3cc(C)c(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)[N+]#[C-])CC1 |r,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-.39,;3.93,-3.26,;5.47,-3.26,)|
COC1CCC2(Cc3cc(F)c(Br)cc3C22N=C(C)C(N)=N2)CC1 |c:22,t:18|
CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:21,t:17,(7.88,-4.03,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.24,;-2.55,-3.47,;-3.88,-4.24,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.93,;-6.55,.38,;-5.21,1.16,;-3.88,.38,;-5.21,2.7,;-5.21,4.24,;3.26,-4.03,;4.8,-4.03,)|
CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wU:14.16,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|
CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@]22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wD:5.5,14.16,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|
CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3C22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 |r,wD:5.5,2.1,c:21,t:17,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-3.88,-3.24,;-2.55,-.93,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;-3.88,-.16,;-3.88,1.38,;-5.21,2.15,;-6.55,1.38,;-6.55,-.16,;-7.88,-.93,;-5.21,-.93,;3.26,-3.04,;4.8,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3C22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|
CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wU:14.16,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|
CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@]22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wD:5.5,14.16,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)|
CO[C@H]1CC[C@@]2(Cc3cc(F)c(OCCCF)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:26,t:22,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-3.21,-3.24,;-1.88,-.93,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-7.21,-.93,;-8.55,-.16,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;3.93,-3.04,;5.47,-3.04,)|
CC1=NC2(N=C1N)c1cc(Br)ccc1CCC21CC1 |c:4,t:1|
CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(F)cc(c1)C#N |c:4,t:1|
CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(F)cc(F)c1 |c:4,t:1|
CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cncc(Cl)c1 |c:4,t:1|
CO[C@H]1CC[C@]2(CC1)CCc1ccc(Br)cc1C21N=C(C)C(N)=N1 |r,wD:5.8,2.1,c:25,t:21,(6,.4,;4.67,1.17,;3.33,.4,;2,1.17,;.67,.4,;.67,-1.14,;2,-1.91,;3.33,-1.14,;.67,-2.68,;-.67,-3.45,;-2,-2.68,;-3.33,-3.45,;-4.67,-2.68,;-4.67,-1.14,;-6,-.37,;-3.33,-.37,;-2,-1.14,;-.67,-.37,;-2.13,.1,;-2.13,1.64,;-3.47,2.41,;-.67,2.12,;.1,3.45,;.24,.87,)|
CO[C@H]1CC[C@@]2(CC1)CCc1ccc(Br)cc1C21N=C(C)C(N)=N1 |r,wU:2.1,wD:5.8,c:25,t:21,(6,.4,;4.67,1.17,;3.33,.4,;3.33,-1.14,;2,-1.91,;.67,-1.14,;.67,.4,;2,1.17,;.67,-2.68,;-.67,-3.45,;-2,-2.68,;-3.33,-3.45,;-4.67,-2.68,;-4.67,-1.14,;-6,-.37,;-3.33,-.37,;-2,-1.14,;-.67,-.37,;-2.13,.1,;-2.13,1.64,;-3.47,2.41,;-.67,2.12,;.1,3.45,;.24,.87,)|
CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(OC)cc(c1)C#N |r,wD:5.8,2.1,c:24,t:20,(8.59,-3.86,;7.82,-2.52,;6.28,-2.52,;5.51,-1.19,;3.97,-1.19,;3.2,-2.52,;3.97,-3.86,;5.51,-3.86,;2.8,-4.01,;1.32,-4.41,;.23,-3.32,;-1.26,-3.72,;-2.35,-2.63,;-1.95,-1.14,;-.46,-.74,;.63,-1.83,;2.11,-1.43,;.87,-.53,;1.34,.94,;.57,2.27,;2.88,.94,;3.65,2.27,;3.36,-.53,;-3.04,-.05,;-2.64,1.43,;-3.73,2.52,;-3.33,4.01,;-1.84,4.41,;-5.22,2.12,;-5.62,.64,;-4.53,-.45,;-7.1,.24,;-8.59,-.16,)|
CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(OC)cc(c1)C#N |r,wU:2.1,wD:5.8,c:24,t:20,(8.59,-3.86,;7.82,-2.52,;6.28,-2.52,;5.51,-3.86,;3.97,-3.86,;3.2,-2.52,;3.97,-1.19,;5.51,-1.19,;2.8,-4.01,;1.32,-4.41,;.23,-3.32,;-1.26,-3.72,;-2.35,-2.63,;-1.95,-1.14,;-.46,-.74,;.63,-1.83,;2.11,-1.43,;.87,-.53,;1.34,.94,;.57,2.27,;2.88,.94,;3.65,2.27,;3.36,-.53,;-3.04,-.05,;-2.64,1.43,;-3.73,2.52,;-3.33,4.01,;-1.84,4.41,;-5.22,2.12,;-5.62,.64,;-4.53,-.45,;-7.1,.24,;-8.59,-.16,)|
CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 |r,wD:5.8,2.1,c:24,t:20,(7.85,-2.91,;7.08,-1.58,;5.54,-1.58,;4.77,-.25,;3.23,-.25,;2.46,-1.58,;3.23,-2.91,;4.77,-2.91,;2.06,-3.07,;.57,-3.47,;-.52,-2.38,;-2,-2.78,;-3.09,-1.69,;-2.69,-.2,;-1.21,.2,;-.12,-.89,;1.37,-.49,;.12,.41,;.6,1.88,;-.17,3.21,;2.14,1.88,;2.91,3.21,;2.61,.41,;-3.78,.89,;-3.39,2.38,;-4.47,3.47,;-5.96,3.07,;-6.36,1.58,;-7.85,1.18,;-5.27,.49,)|
CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(Cl)c1 |r,wU:2.1,wD:5.8,c:24,t:20,(7.85,-2.91,;7.08,-1.58,;5.54,-1.58,;4.77,-2.91,;3.23,-2.91,;2.46,-1.58,;3.23,-.25,;4.77,-.25,;2.06,-3.07,;.57,-3.47,;-.52,-2.38,;-2,-2.78,;-3.09,-1.69,;-2.69,-.2,;-1.21,.2,;-.12,-.89,;1.37,-.49,;.12,.41,;.6,1.88,;-.17,3.21,;2.14,1.88,;2.91,3.21,;2.61,.41,;-3.78,.89,;-3.39,2.38,;-4.47,3.47,;-5.96,3.07,;-6.36,1.58,;-7.85,1.18,;-5.27,.49,)|
CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC |r,wU:2.1,wD:5.8,c:24,t:20,(9.34,-2.91,;8.57,-1.58,;7.03,-1.58,;6.26,-2.91,;4.72,-2.91,;3.95,-1.58,;4.72,-.25,;6.26,-.25,;3.55,-3.07,;2.06,-3.47,;.97,-2.38,;-.52,-2.78,;-1.61,-1.69,;-1.21,-.2,;.28,.2,;1.37,-.89,;2.86,-.49,;1.61,.41,;2.09,1.88,;1.32,3.21,;3.63,1.88,;4.4,3.21,;4.1,.41,;-2.3,.89,;-1.9,2.38,;-2.99,3.47,;-4.47,3.07,;-4.87,1.58,;-3.78,.49,;-6.36,1.18,;-7.85,.78,;-9.34,.38,)|
CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC |r,wD:5.8,2.1,c:24,t:20,(9.34,-2.91,;8.57,-1.58,;7.03,-1.58,;6.26,-.25,;4.72,-.25,;3.95,-1.58,;4.72,-2.91,;6.26,-2.91,;3.55,-3.07,;2.06,-3.47,;.97,-2.38,;-.52,-2.78,;-1.61,-1.69,;-1.21,-.2,;.28,.2,;1.37,-.89,;2.86,-.49,;1.61,.41,;2.09,1.88,;1.32,3.21,;3.63,1.88,;4.4,3.21,;4.1,.41,;-2.3,.89,;-1.9,2.38,;-2.99,3.47,;-4.47,3.07,;-4.87,1.58,;-3.78,.49,;-6.36,1.18,;-7.85,.78,;-9.34,.38,)|
CC1=NC2(N=C1N)c1cc(ccc1CCC21CC1)-c1cc(Cl)cc(c1)C#N |c:4,t:1|
COC1CCC2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |c:24,t:20|
CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |r,wD:5.8,2.1,c:24,t:20,(8.59,-3.66,;7.82,-2.32,;6.28,-2.32,;5.51,-.99,;3.97,-.99,;3.2,-2.32,;3.97,-3.66,;5.51,-3.66,;2.8,-3.81,;1.32,-4.21,;.23,-3.12,;-1.26,-3.52,;-2.35,-2.43,;-1.95,-.94,;-.46,-.54,;.63,-1.63,;2.11,-1.23,;.87,-.33,;1.34,1.13,;.57,2.47,;2.88,1.13,;3.65,2.47,;3.36,-.33,;-3.04,.15,;-2.64,1.63,;-3.73,2.72,;-3.33,4.21,;-5.22,2.32,;-5.62,.84,;-4.53,-.25,;-7.1,.44,;-8.59,.04,)|
CO[C@H]1CC[C@@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |r,wU:2.1,wD:5.8,c:24,t:20,(8.59,-3.66,;7.82,-2.32,;6.28,-2.32,;5.51,-3.66,;3.97,-3.66,;3.2,-2.32,;3.97,-.99,;5.51,-.99,;2.8,-3.81,;1.32,-4.21,;.23,-3.12,;-1.26,-3.52,;-2.35,-2.43,;-1.95,-.94,;-.46,-.54,;.63,-1.63,;2.11,-1.23,;.87,-.33,;1.34,1.13,;.57,2.47,;2.88,1.13,;3.65,2.47,;3.36,-.33,;-3.04,.15,;-2.64,1.63,;-3.73,2.72,;-3.33,4.21,;-5.22,2.32,;-5.62,.84,;-4.53,-.25,;-7.1,.44,;-8.59,.04,)|
CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1[C@@]21N=C(C)C(N)=N1)-c1cc(Cl)cc(c1)C#N |r,wU:16.19,wD:2.1,5.8,c:24,t:20,(8.7,-2.49,;7.93,-1.16,;6.39,-1.16,;5.62,.18,;4.08,.18,;3.31,-1.16,;4.08,-2.49,;5.62,-2.49,;3.31,-2.69,;1.97,-3.47,;.64,-2.7,;-.69,-3.47,;-2.03,-2.69,;-2.03,-1.15,;-.69,-.38,;.64,-1.15,;1.97,-.38,;.73,.52,;1.2,1.98,;.43,3.32,;2.74,1.98,;3.51,3.32,;3.22,.52,;-3.36,-.38,;-3.36,1.15,;-4.7,1.93,;-4.7,3.47,;-6.03,1.15,;-6.03,-.38,;-4.7,-1.15,;-7.36,-1.15,;-8.7,-1.93,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4(C)CC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-7.32,1.17,;-5.78,1.17,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;-.02,3.2,;2.36,1.91,;3.13,3.24,;2.83,.45,;3.26,-3.04,;4.8,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC(F)(F)C4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:29,t:25,(8.9,-3.04,;8.13,-1.7,;6.59,-1.7,;5.82,-.37,;4.28,-.37,;3.51,-1.7,;2.61,-2.95,;1.14,-2.47,;-.19,-3.24,;-1.53,-2.47,;-1.53,-.93,;-2.86,-.16,;-4.19,-.93,;-5.53,-.16,;-5.93,1.32,;-7.41,.92,;-8.9,.53,;-7.81,2.41,;-7.01,-.56,;-.19,-.16,;1.14,-.93,;2.61,-.46,;1.36,.45,;1.84,1.91,;1.07,3.24,;3.38,1.91,;4.15,3.24,;3.85,.45,;4.28,-3.04,;5.82,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:26,t:22,(7.98,-3.04,;7.21,-1.7,;5.67,-1.7,;4.9,-.37,;3.36,-.37,;2.59,-1.7,;1.69,-2.95,;.22,-2.47,;-1.11,-3.24,;-2.44,-2.47,;-2.44,-.93,;-3.78,-.16,;-5.11,-.93,;-6.44,-.16,;-7.21,1.17,;-7.98,-.16,;-1.11,-.16,;.22,-.93,;1.69,-.46,;.44,.45,;.92,1.91,;.15,3.24,;2.46,1.91,;3.23,3.24,;2.93,.45,;3.36,-3.04,;4.9,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:18.21,wD:5.5,2.1,c:26,t:22,(7.98,-3.04,;7.21,-1.7,;5.67,-1.7,;4.9,-.37,;3.36,-.37,;2.59,-1.7,;1.69,-2.95,;.22,-2.47,;-1.11,-3.24,;-2.44,-2.47,;-2.44,-.93,;-3.78,-.16,;-5.11,-.93,;-6.44,-.16,;-7.21,1.17,;-7.98,-.16,;-1.11,-.16,;.22,-.93,;1.69,-.46,;.44,.45,;.92,1.91,;.15,3.24,;2.46,1.91,;3.23,3.24,;2.93,.45,;3.36,-3.04,;4.9,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3[C@]22N=C(C)C(N)=N2)CC1 |r,wD:5.5,18.21,2.1,c:26,t:22,(7.98,-3.04,;7.21,-1.7,;5.67,-1.7,;4.9,-.37,;3.36,-.37,;2.59,-1.7,;1.69,-2.95,;.22,-2.47,;-1.11,-3.24,;-2.44,-2.47,;-2.44,-.93,;-3.78,-.16,;-5.11,-.93,;-6.44,-.16,;-7.21,1.17,;-7.98,-.16,;-1.11,-.16,;.22,-.93,;1.69,-.46,;.44,.45,;.92,1.91,;.15,3.24,;2.46,1.91,;3.23,3.24,;2.93,.45,;3.36,-3.04,;4.9,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4(F)F)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:28,t:24,(7.98,-3.04,;7.21,-1.7,;5.67,-1.7,;4.9,-.37,;3.36,-.37,;2.59,-1.7,;1.69,-2.95,;.22,-2.47,;-1.11,-3.24,;-2.44,-2.47,;-2.44,-.93,;-3.78,-.16,;-5.11,-.93,;-6.44,-.16,;-7.98,-.16,;-7.21,1.17,;-7.98,2.5,;-6.44,2.5,;-1.11,-.16,;.22,-.93,;1.69,-.46,;.44,.45,;.92,1.91,;.15,3.24,;2.46,1.91,;3.23,3.24,;2.93,.45,;3.36,-3.04,;4.9,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:19.22,wD:5.5,2.1,c:27,t:23,(7.49,-3.23,;6.72,-1.9,;5.18,-1.9,;4.41,-.57,;2.87,-.57,;2.1,-1.9,;1.2,-3.14,;-.27,-2.67,;-1.6,-3.44,;-2.94,-2.67,;-2.94,-1.13,;-4.27,-.36,;-4.27,1.18,;-5.6,1.95,;-6,3.44,;-7.49,3.04,;-7.09,1.55,;-1.6,-.36,;-.27,-1.13,;1.2,-.65,;-.05,.25,;.43,1.72,;-.34,3.05,;1.97,1.72,;2.74,3.05,;2.44,.25,;2.87,-3.23,;4.41,-3.23,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3[C@]22N=C(C)C(N)=N2)CC1 |r,wD:5.5,19.22,2.1,c:27,t:23,(7.49,-3.23,;6.72,-1.9,;5.18,-1.9,;4.41,-.57,;2.87,-.57,;2.1,-1.9,;1.2,-3.14,;-.27,-2.67,;-1.6,-3.44,;-2.94,-2.67,;-2.94,-1.13,;-4.27,-.36,;-4.27,1.18,;-5.6,1.95,;-6,3.44,;-7.49,3.04,;-7.09,1.55,;-1.6,-.36,;-.27,-1.13,;1.2,-.65,;-.05,.25,;.43,1.72,;-.34,3.05,;1.97,1.72,;2.74,3.05,;2.44,.25,;2.87,-3.23,;4.41,-3.23,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCCC4CC4)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,t:23,(8.65,-3.04,;7.88,-1.7,;6.34,-1.7,;5.57,-.37,;4.03,-.37,;3.26,-1.7,;2.36,-2.95,;.89,-2.47,;-.44,-3.24,;-1.78,-2.47,;-1.78,-.93,;-3.11,-.16,;-4.44,-.93,;-5.78,-.16,;-7.11,-.93,;-8.65,-.93,;-7.88,-2.27,;-.44,-.16,;.89,-.93,;2.36,-.46,;1.11,.45,;1.59,1.91,;.82,3.24,;3.13,1.91,;3.9,3.24,;3.6,.45,;4.03,-3.04,;5.57,-3.04,)|
C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CCC(F)(F)F)C2=O)C#N)C[C@@H](C)[C@@H]1O |r,t:14|
C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)C[C@@H](C)[C@@H]1O |r,t:14|
C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)Cl)C2=O)C#N)C[C@@H](C)[C@@H]1O |r,t:14|
C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCOCC3)C2=O)C#N)C[C@@H](C)[C@@H]1O |r,t:14|
C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)-c2cncnc2)C[C@@H](C)[C@@H]1O |r,t:14|
C[C@H]1C[C@]2(Cc3ccc(NC(=O)C(C)(C)F)cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C[C@@H](C)[C@@H]1O |r,t:21|
CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)C[C@H](C)[C@H]1O |r,t:15|
CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3COCCO3)C2=O)C#N)C[C@H](C)[C@H]1O |r,t:15|
CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC(C)(C)F)C2=O)C#N)CC[C@H]1O |r,t:15|
C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CC3)C2=O)C#N)C[C@@H](C)[C@@H]1O |r,t:14|
C[C@H]1CC2(Cc3ccc(Cl)cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)C[C@@H](C)[C@@H]1O |r,t:15|
C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)-c2cccnc2)CC[C@@H]1O |r,t:14|
C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CC(F)(F)C3)C2=O)C#N)CC[C@@H]1O |r,t:14|
C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3CC(F)(F)C3)C2=O)C#N)C[C@@H](C)[C@@H]1O |r,t:14|
C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(CCc3ccncc3)C2=O)C#N)C[C@@H](C)[C@@H]1O |r,t:14|
C[C@H]1C[C@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccnc(C)c3)C2=O)C#N)C[C@@H](C)[C@@H]1O |r,t:14|
NC1=N[C@]2(COC[C@@]2(F)CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:1|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@@]1(F)CSC(N)=N2 |r,c:30|
NC1=N[C@]2(COC[C@@]2(F)CS1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,t:1|
NC1=N[C@]2(COC[C@@]2(F)CO1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,t:1|
NC1=N[C@]2(COC[C@@]2(F)CO1)c1cc(NC(=O)c2cnc(OCC3(F)CC3)cn2)ccc1F |r,t:1|
COc1cc(F)c(cc1C#N)C12CO[C@@H](COCc3ccccc3)C[C@H]1CSC(N)=N2 |c:32|
NC1=NC2(CO[C@@H](COCc3ccccc3)C[C@H]2CS1)c1cc(C#N)c(F)cc1F |t:1|
NC1=NC2(CO[C@@H](CO)C[C@H]2CS1)c1cc(C#N)c(F)cc1F |t:1|
NC1=NC2(CO[C@@H](CF)C[C@H]2CS1)c1cc(C#N)c(F)cc1F |t:1|
COC[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(C#N)c(F)cc1F |c:9|
C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(ccc1Cl)C#N |c:7|
C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cccc(c1)C#N |c:7|
c1c(c(cc(c1[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF)F)F)CNCC(F)(F)F
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(CNCC(F)(F)F)c(F)cc1F |c:7|
Cc1cc(on1)[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(ccc1F)C#N |c:13|
Cc1coc(n1)[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(ccc1F)C#N |c:13|
Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(ccc1F)C#N |c:13|
NC1=NC2(CO[C@H](C[C@H]2CS1)C1CC1)c1cc(ccc1F)C#N |t:1|
C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1cc(ccc1F)C#N |c:7|
NC1=N[C@]2(CO[C@@H](CF)C[C@H]2CS1)c1cc(CNCC(F)(F)F)ccc1F |t:1|
Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(CNCC(F)(F)F)ccc1F |c:13|
C[C@H]1SC(N)=NC2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1cc(ccc1F)C#N |c:4|
COC[C@@H](C)NCc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1CSC(N)=N2)c1cnn(C)c1 |c:25|
C[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1cc(CNCC(F)(F)F)ccc1F |c:9|
C[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1cc(CNCC(F)(F)F)c(F)cc1F |c:9|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCON=C23)-c2cc(F)cc(Cl)c2)CC1 |t:16,23,(8.5,-1.7,;7.17,-2.47,;5.84,-1.7,;4.75,-2.79,;3.41,-2.03,;1.87,-2.03,;.96,-3.27,;-.5,-2.8,;-1.83,-3.57,;-3.17,-2.8,;-3.17,-1.26,;-1.83,-.49,;-.5,-1.26,;.96,-.78,;-.56,-.54,;-.8,.98,;-2.13,1.75,;.57,1.68,;.97,3.17,;2.46,3.57,;3.55,2.48,;3.15,.99,;1.66,.59,;-4.5,-.49,;-4.5,1.05,;-5.84,1.82,;-5.84,3.36,;-7.17,1.05,;-7.17,-.49,;-8.5,-1.26,;-5.84,-1.26,;2.96,-.94,;4.3,-1.7,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCON=C23)-c2cccc(OC(F)(F)F)c2)CC1 |t:16,23,(8.5,-2.65,;7.17,-3.42,;5.84,-2.65,;4.75,-3.74,;3.41,-2.98,;1.87,-2.98,;.96,-4.22,;-.5,-3.75,;-1.83,-4.52,;-3.17,-3.75,;-3.17,-2.21,;-1.83,-1.44,;-.5,-2.21,;.96,-1.73,;-.56,-1.49,;-.8,.03,;-2.13,.8,;.57,.73,;.97,2.22,;2.46,2.62,;3.55,1.53,;3.15,.04,;1.66,-.36,;-4.5,-1.44,;-5.84,-2.21,;-7.17,-1.44,;-7.17,.1,;-5.84,.87,;-5.84,2.41,;-7.17,3.18,;-8.5,3.95,;-6.4,4.52,;-7.94,1.85,;-4.5,.1,;2.96,-1.89,;4.3,-2.65,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCCN=C23)-c2cc(F)cc(Cl)c2)CC1 |t:16,23,(8.5,-1.7,;7.17,-2.47,;5.84,-1.7,;4.75,-2.79,;3.41,-2.03,;1.87,-2.03,;.96,-3.27,;-.5,-2.8,;-1.83,-3.57,;-3.17,-2.8,;-3.17,-1.26,;-1.83,-.49,;-.5,-1.26,;.96,-.78,;-.56,-.54,;-.8,.98,;-2.13,1.75,;.57,1.68,;.97,3.17,;2.46,3.57,;3.55,2.48,;3.15,.99,;1.66,.59,;-4.5,-.49,;-4.5,1.05,;-5.84,1.82,;-5.84,3.36,;-7.17,1.05,;-7.17,-.49,;-8.5,-1.26,;-5.84,-1.26,;2.96,-.94,;4.3,-1.7,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCCN=C23)C#CC2CC2)CC1 |t:16,23,(8.61,-1.4,;7.27,-2.17,;5.94,-1.4,;4.85,-2.49,;3.51,-1.72,;1.97,-1.72,;1.07,-2.97,;-.4,-2.49,;-1.73,-3.26,;-3.07,-2.49,;-3.07,-.95,;-1.73,-.18,;-.4,-.95,;1.07,-.48,;-.13,.49,;.42,1.93,;-.35,3.26,;1.96,1.85,;3.05,2.94,;4.54,2.54,;4.93,1.05,;3.85,-.04,;2.36,.36,;-4.4,-.18,;-5.73,.59,;-7.07,1.36,;-7.84,2.69,;-8.61,1.36,;3.06,-.63,;4.4,-1.4,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CCCN=C23)-c2cccnc2)CC1 |t:16,23,(7.84,-1.4,;6.5,-2.17,;5.17,-1.4,;4.08,-2.49,;2.74,-1.72,;1.2,-1.72,;.3,-2.97,;-1.17,-2.49,;-2.5,-3.26,;-3.84,-2.49,;-3.84,-.95,;-2.5,-.18,;-1.17,-.95,;.3,-.48,;-.9,.49,;-.35,1.93,;-1.12,3.26,;1.19,1.85,;2.28,2.94,;3.77,2.54,;4.16,1.05,;3.08,-.04,;1.59,.36,;-5.17,-.18,;-6.5,-.95,;-7.84,-.18,;-7.84,1.36,;-6.5,2.13,;-5.17,1.36,;2.29,-.63,;3.63,-1.4,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CC(F)(F)CN=C23)-c2cc(F)cc(Cl)c2)CC1 |t:16,25,(8.5,-1.78,;7.17,-2.55,;5.84,-1.78,;4.75,-2.87,;3.41,-2.11,;1.87,-2.11,;.96,-3.35,;-.5,-2.88,;-1.83,-3.65,;-3.17,-2.88,;-3.17,-1.34,;-1.83,-.57,;-.5,-1.34,;.96,-.86,;-.23,.11,;.32,1.55,;-.45,2.88,;1.86,1.47,;2.95,2.56,;4.43,2.16,;5.92,2.56,;4.83,3.65,;4.83,.67,;3.74,-.42,;2.26,-.02,;-4.5,-.57,;-4.5,.97,;-5.84,1.74,;-5.84,3.28,;-7.17,.97,;-7.17,-.57,;-8.5,-1.34,;-5.84,-1.34,;2.96,-1.02,;4.3,-1.78,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CC(C)(C)CN=C23)-c2cc(F)cc(Cl)c2)CC1 |t:16,25,(8.5,-1.78,;7.17,-2.55,;5.84,-1.78,;4.75,-2.87,;3.41,-2.11,;1.87,-2.11,;.96,-3.35,;-.5,-2.88,;-1.83,-3.65,;-3.17,-2.88,;-3.17,-1.34,;-1.83,-.57,;-.5,-1.34,;.96,-.86,;-.23,.11,;.32,1.55,;-.45,2.88,;1.86,1.47,;2.95,2.56,;4.43,2.16,;5.92,1.76,;4.83,3.65,;4.83,.67,;3.74,-.42,;2.26,-.02,;-4.5,-.57,;-4.5,.97,;-5.84,1.74,;-5.84,3.28,;-7.17,.97,;-7.17,-.57,;-8.5,-1.34,;-5.84,-1.34,;2.96,-1.02,;4.3,-1.78,)|
CCC1CN=C2N(C1)C(N)=NC21c2cc(ccc2CC11CCC(CC1)OC)-c1cc(F)cc(Cl)c1 |c:4,10,(7.01,3.03,;5.52,3.43,;4.43,2.34,;4.83,.85,;3.74,-.24,;2.26,.16,;1.86,1.65,;2.95,2.74,;.32,1.73,;-.45,3.06,;-.23,.29,;.96,-.68,;-.5,-1.15,;-1.83,-.38,;-3.17,-1.15,;-3.17,-2.69,;-1.83,-3.47,;-.5,-2.69,;.96,-3.17,;1.87,-1.93,;3.41,-1.93,;4.75,-2.69,;5.84,-1.6,;4.3,-1.6,;2.96,-.84,;7.17,-2.37,;8.5,-1.6,;-4.5,-.38,;-4.5,1.15,;-5.84,1.93,;-5.84,3.47,;-7.17,1.15,;-7.17,-.38,;-8.5,-1.15,;-5.84,-1.15,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CC(F)(F)CN=C23)C#CC2CC2)CC1 |t:16,25,(8.61,-1.78,;7.27,-2.55,;5.94,-1.78,;4.85,-2.87,;3.51,-2.11,;1.97,-2.11,;1.07,-3.35,;-.4,-2.88,;-1.73,-3.65,;-3.07,-2.88,;-3.07,-1.34,;-1.73,-.57,;-.4,-1.34,;1.07,-.86,;-.13,.11,;.42,1.55,;-.35,2.88,;1.96,1.47,;3.05,2.56,;4.54,2.16,;4.93,3.65,;6.02,1.76,;4.93,.67,;3.85,-.42,;2.36,-.02,;-4.4,-.57,;-5.73,.2,;-7.07,.97,;-7.84,2.31,;-8.61,.97,;3.06,-1.02,;4.4,-1.78,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N3CC4(CC4)CN=C23)C#CC2CC2)CC1 |t:16,26,(8.61,-1.78,;7.27,-2.55,;5.94,-1.78,;4.85,-2.87,;3.51,-2.11,;1.97,-2.11,;1.07,-3.35,;-.4,-2.88,;-1.73,-3.65,;-3.07,-2.88,;-3.07,-1.34,;-1.73,-.57,;-.4,-1.34,;1.07,-.86,;-.13,.11,;.42,1.55,;-.35,2.88,;1.96,1.47,;3.05,2.56,;4.54,2.16,;6.02,2.56,;4.93,3.65,;4.93,.67,;3.85,-.42,;2.36,-.02,;-4.4,-.57,;-5.73,.2,;-7.07,.97,;-7.84,2.31,;-8.61,.97,;3.06,-1.02,;4.4,-1.78,)|
COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N3CC4(CC4)CN=C23)CC1 |t:17,27,(6.46,-2.47,;4.97,-2.87,;3.88,-1.78,;2.79,-2.87,;1.45,-2.11,;-.09,-2.11,;-.99,-3.35,;-2.46,-2.88,;-3.79,-3.65,;-5.12,-2.88,;-5.12,-1.34,;-6.46,-.57,;-3.79,-.57,;-2.46,-1.34,;-.99,-.86,;-2.19,.11,;-1.64,1.55,;-2.41,2.88,;-.1,1.47,;.99,2.56,;2.48,2.16,;3.97,2.56,;2.88,3.65,;2.88,.67,;1.79,-.42,;.3,-.02,;1,-1.02,;2.34,-1.78,)|
COC1CCC2(Cc3ccc(OC)cc3C22N=C(N)N3C2CCCC3C(F)(F)F)CC1 |t:18,(6.76,-4.84,;5.27,-4.44,;4.87,-2.96,;3.54,-3.73,;2.44,-2.64,;.95,-2.27,;.04,-3.52,;-1.42,-3.04,;-2.76,-3.81,;-4.09,-3.04,;-4.09,-1.5,;-5.42,-.73,;-6.76,-1.5,;-2.76,-.73,;-1.42,-1.5,;.04,-1.02,;-.86,.22,;.04,1.47,;-.73,2.8,;1.51,.99,;1.51,-.55,;2.84,-1.32,;4.17,-.55,;4.17,.99,;2.84,1.76,;2.84,3.3,;1.51,4.07,;4.17,4.07,;2.84,4.84,;2.28,-1.5,;3.38,-2.64,)|
COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)c3ccccc23)CC1 |t:17,(6.39,-.45,;5.06,-1.22,;3.72,-.45,;2.95,-1.79,;1.46,-1.36,;-.02,-1.79,;-.92,-3.03,;-2.39,-2.56,;-3.72,-3.33,;-5.06,-2.56,;-5.06,-1.02,;-6.39,-.25,;-3.72,-.25,;-2.39,-1.02,;-.92,-.54,;.33,.55,;-.22,1.99,;.55,3.33,;-1.76,1.91,;-2.85,3,;-4.34,2.6,;-4.74,1.11,;-3.65,.03,;-2.16,.42,;.75,-.45,;2.24,-.88,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccccc23)C#CC2CC2)CC1 |t:16,(8.49,-.43,;7.16,-1.2,;5.83,-.43,;5.06,-1.76,;3.57,-1.34,;2.09,-1.76,;1.18,-3,;-.28,-2.53,;-1.62,-3.3,;-2.95,-2.53,;-2.95,-.99,;-1.62,-.22,;-.28,-.99,;1.18,-.51,;-.23,.11,;-.07,1.64,;-1.4,2.41,;1.44,1.97,;2.21,3.3,;3.75,3.3,;4.52,1.97,;3.75,.63,;2.21,.63,;-4.29,-.22,;-5.62,.55,;-6.95,1.32,;-7.72,2.65,;-8.49,1.32,;2.86,-.43,;4.34,-.85,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccccc23)-c2cccc(c2)C#N)CC1 |t:16,(7.84,-2.37,;6.5,-3.14,;5.17,-2.37,;4.08,-3.46,;2.74,-2.69,;1.2,-2.69,;.3,-3.94,;-1.17,-3.47,;-2.5,-4.23,;-3.84,-3.47,;-3.84,-1.93,;-2.5,-1.15,;-1.17,-1.93,;.3,-1.45,;-.9,-.48,;-.35,.96,;-1.12,2.29,;1.19,.88,;2.28,1.97,;3.77,1.57,;4.16,.08,;3.08,-1.01,;1.59,-.61,;-5.17,-1.15,;-6.5,-1.93,;-7.84,-1.15,;-7.84,.38,;-6.5,1.15,;-5.17,.38,;-6.5,2.69,;-6.5,4.23,;2.29,-1.61,;3.63,-2.37,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccccc23)-c2cncc(c2)C(F)(F)F)CC1 |t:16,(7.92,-3.38,;6.58,-4.15,;5.25,-3.38,;3.92,-4.15,;2.82,-3.07,;1.33,-2.69,;.42,-3.94,;-1.04,-3.47,;-2.38,-4.23,;-3.71,-3.47,;-3.71,-1.93,;-2.38,-1.15,;-1.04,-1.93,;.42,-1.45,;-.77,-.48,;-.22,.96,;-.99,2.29,;1.32,.88,;2.4,1.97,;3.89,1.57,;4.29,.08,;3.2,-1.01,;1.71,-.61,;-5.04,-1.15,;-6.38,-1.93,;-7.71,-1.15,;-7.71,.38,;-6.38,1.15,;-5.04,.38,;-6.38,2.69,;-6.38,4.23,;-4.84,2.69,;-7.92,2.69,;2.66,-1.93,;3.76,-3.07,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccc(cc23)C#N)C#CC2CC2)CC1 |t:16,(8.58,-2.57,;7.25,-3.34,;5.92,-2.57,;4.58,-3.34,;3.49,-2.26,;1.99,-1.88,;1.09,-3.13,;-.38,-2.65,;-1.71,-3.42,;-3.04,-2.65,;-3.04,-1.11,;-1.71,-.34,;-.38,-1.11,;1.09,-.64,;2.55,-.16,;2.55,1.38,;3.89,2.15,;1.09,1.85,;.46,3.26,;-1.07,3.42,;-1.97,2.18,;-1.35,.77,;.18,.61,;-3.46,2.58,;-4.95,2.97,;-4.38,-.34,;-5.71,.43,;-7.04,1.2,;-7.81,2.53,;-8.58,1.2,;3.33,-1.11,;4.42,-2.26,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)c3ccc(cc23)C#N)C#CC2CC2)CC1 |r,wD:5.5,2.1,t:16,(7.72,-3.99,;7.32,-2.51,;5.83,-2.11,;5.43,-.62,;3.95,-.22,;2.86,-1.31,;1.95,-2.56,;.49,-2.08,;-.85,-2.85,;-2.18,-2.08,;-2.18,-.54,;-.85,.23,;.49,-.54,;1.95,-.07,;3.42,.41,;3.42,1.95,;4.75,2.72,;1.95,2.43,;1.33,3.83,;-.2,3.99,;-1.11,2.75,;-.48,1.34,;1.05,1.18,;-2.6,3.15,;-4.08,3.55,;-3.51,.23,;-4.85,1,;-6.18,1.77,;-6.95,3.1,;-7.72,1.77,;3.26,-2.8,;4.74,-3.2,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22N=C(N)c3ccc(cc23)C#N)C#CC2CC2)CC1 |r,wD:5.5,13.15,2.1,t:16,(7.18,-3.83,;6.78,-2.35,;5.3,-1.95,;4.9,-.46,;3.41,-.06,;2.32,-1.15,;1.41,-2.4,;-.05,-1.92,;-1.38,-2.69,;-2.72,-1.92,;-2.72,-.38,;-1.38,.39,;-.05,-.38,;1.41,.09,;.22,1.06,;.77,2.5,;,3.83,;2.31,2.42,;3.4,3.51,;4.88,3.11,;5.28,1.62,;4.19,.53,;2.71,.93,;6.77,1.22,;8.26,.83,;-4.05,.39,;-5.38,1.16,;-6.72,1.93,;-7.49,3.26,;-8.26,1.93,;2.72,-2.64,;4.21,-3.04,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccc(cc23)C#N)-c2cc(F)cc(Cl)c2)CC1 |t:16,(8.48,-2.61,;7.15,-3.38,;5.81,-2.61,;4.48,-3.38,;3.38,-2.3,;1.89,-1.93,;.99,-3.17,;-.48,-2.69,;-1.81,-3.47,;-3.15,-2.69,;-3.15,-1.15,;-1.81,-.38,;-.48,-1.15,;.99,-.68,;-.21,.29,;.34,1.73,;-.43,3.06,;1.88,1.65,;2.97,2.74,;4.46,2.34,;4.85,.85,;3.76,-.24,;2.28,.16,;6.34,.45,;7.83,.05,;-4.48,-.38,;-5.81,-1.15,;-7.15,-.38,;-8.48,-1.15,;-7.15,1.15,;-5.81,1.93,;-5.81,3.47,;-4.48,1.15,;3.22,-1.15,;4.32,-2.3,)|
COC1CCC2(CC1)Oc1ccc(cc1C21N=C(N)c2ccccc12)C#CC1CC1 |t:19,(8.58,-2.41,;7.25,-3.18,;5.92,-2.41,;4.58,-3.18,;3.49,-2.1,;1.99,-1.72,;3.33,-.95,;4.42,-2.1,;1.09,-2.97,;-.38,-2.49,;-1.71,-3.26,;-3.04,-2.49,;-3.04,-.95,;-1.71,-.18,;-.38,-.95,;1.09,-.48,;-.11,.49,;.44,1.93,;-.33,3.26,;1.98,1.85,;3.07,2.94,;4.56,2.54,;4.96,1.05,;3.87,-.04,;2.38,.36,;-4.38,-.18,;-5.71,.59,;-7.04,1.36,;-7.81,2.69,;-8.58,1.36,)|
COC1CCC2(CC1)Oc1ccc(Cl)cc1C21N=C(N)c2ccccc12 |t:20,(6.48,-2.41,;5.15,-3.18,;3.81,-2.41,;2.48,-3.18,;1.38,-2.1,;-.11,-1.72,;1.22,-.95,;2.32,-2.1,;-1.01,-2.97,;-2.48,-2.49,;-3.81,-3.26,;-5.15,-2.49,;-5.15,-.95,;-6.48,-.18,;-3.81,-.18,;-2.48,-.95,;-1.01,-.48,;-2.21,.49,;-1.66,1.93,;-2.43,3.26,;-.12,1.85,;.97,2.94,;2.45,2.54,;2.85,1.05,;1.76,-.04,;.28,.36,)|
COC1CCC2(CC1)Oc1ccc(Cl)cc1C21N=C(N)c2ccc(cc12)C#N |t:20,(6.48,-2.41,;5.15,-3.18,;3.81,-2.41,;2.48,-3.18,;1.38,-2.1,;-.11,-1.72,;1.22,-.95,;2.32,-2.1,;-1.01,-2.97,;-2.48,-2.49,;-3.81,-3.26,;-5.15,-2.49,;-5.15,-.95,;-6.48,-.18,;-3.81,-.18,;-2.48,-.95,;-1.01,-.48,;-2.21,.49,;-1.66,1.93,;-2.43,3.26,;-.12,1.85,;.97,2.94,;2.45,2.54,;2.85,1.05,;1.76,-.04,;.28,.36,;4.34,.65,;5.83,.26,)|
COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)c3ccc(OC)cc23)CC1 |t:17,(6.48,-2.89,;5.15,-3.66,;3.81,-2.89,;2.48,-3.66,;1.38,-2.58,;-.11,-2.2,;-1.01,-3.45,;-2.48,-2.97,;-3.81,-3.74,;-5.15,-2.97,;-5.15,-1.43,;-6.48,-.66,;-3.81,-.66,;-2.48,-1.43,;-1.01,-.96,;.45,-.48,;.45,1.06,;1.78,1.83,;-1.01,1.53,;-1.64,2.94,;-3.17,3.1,;-4.08,1.86,;-5.57,2.26,;-5.96,3.74,;-3.45,.45,;-1.92,.29,;1.22,-1.43,;2.32,-2.58,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccc(OC)cc23)C#CC2CC2)CC1 |t:16,(8.58,-2.41,;7.25,-3.18,;5.92,-2.41,;4.58,-3.18,;3.49,-2.1,;1.99,-1.72,;1.09,-2.97,;-.38,-2.49,;-1.71,-3.26,;-3.04,-2.49,;-3.04,-.95,;-1.71,-.18,;-.38,-.95,;1.09,-.48,;-.11,.49,;.44,1.93,;-.33,3.26,;1.98,1.85,;3.07,2.94,;4.56,2.54,;4.96,1.05,;6.44,.65,;7.53,1.74,;3.87,-.04,;2.38,.36,;-4.38,-.18,;-5.71,.59,;-7.04,1.36,;-7.81,2.69,;-8.58,1.36,;3.33,-.95,;4.42,-2.1,)|
COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)c3ccc(cc23)C(F)(F)F)CC1 |t:17,(6.57,-1.82,;5.24,-2.59,;3.9,-1.82,;2.57,-2.59,;1.48,-1.51,;-.02,-1.13,;-.57,-2.57,;-2.11,-2.49,;-3.2,-3.58,;-4.69,-3.18,;-5.08,-1.69,;-6.57,-1.29,;-3.99,-.6,;-2.51,-1,;-1.22,-.16,;-2.41,.81,;-1.86,2.24,;-2.63,3.58,;-.32,2.16,;.77,3.25,;2.25,2.85,;2.65,1.37,;1.56,.28,;.08,.68,;4.14,.97,;5.63,.57,;4.54,2.46,;3.74,-.52,;1.31,-.36,;2.41,-1.51,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccc(cc23)C(F)(F)F)C#CC2CC2)CC1 |t:16,(8.58,-2.41,;7.25,-3.18,;5.92,-2.41,;4.58,-3.18,;3.49,-2.1,;1.99,-1.72,;1.09,-2.97,;-.38,-2.49,;-1.71,-3.26,;-3.04,-2.49,;-3.04,-.95,;-1.71,-.18,;-.38,-.95,;1.09,-.48,;-.11,.49,;.44,1.93,;-.33,3.26,;1.98,1.85,;3.07,2.94,;4.56,2.54,;4.96,1.05,;3.87,-.04,;2.38,.36,;6.44,.65,;7.93,.25,;6.84,2.14,;6.05,-.83,;-4.38,-.18,;-5.71,.59,;-7.04,1.36,;-7.81,2.69,;-8.58,1.36,;3.33,-.95,;4.42,-2.1,)|
COC1CCC2(Cc3ccc(OCC4CC4)cc3C22N=C(N)c3ccccc23)CC1 |t:22,(8.58,-2.41,;7.25,-3.18,;5.92,-2.41,;4.58,-3.18,;3.49,-2.1,;1.99,-1.72,;1.09,-2.97,;-.38,-2.49,;-1.71,-3.26,;-3.04,-2.49,;-3.04,-.95,;-4.38,-.18,;-5.71,-.95,;-7.04,-.18,;-7.81,1.15,;-8.58,-.18,;-1.71,-.18,;-.38,-.95,;1.09,-.48,;-.11,.49,;.44,1.93,;-.33,3.26,;1.98,1.85,;3.07,2.94,;4.56,2.54,;4.96,1.05,;3.87,-.04,;2.38,.36,;3.33,-.95,;4.42,-2.1,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)c3c2cccc3F)C#CC2CC2)CC1 |t:16,(8.58,-2.99,;7.25,-3.76,;5.92,-2.99,;4.58,-3.76,;3.49,-2.68,;1.99,-2.3,;1.09,-3.55,;-.38,-3.07,;-1.71,-3.84,;-3.04,-3.07,;-3.04,-1.53,;-1.71,-.76,;-.38,-1.53,;1.09,-1.06,;-.11,-.09,;.44,1.35,;-.33,2.68,;1.98,1.27,;2.38,-.22,;3.87,-.62,;4.96,.47,;4.56,1.96,;3.07,2.36,;2.67,3.84,;-4.38,-.76,;-5.71,.01,;-7.04,.78,;-7.81,2.11,;-8.58,.78,;3.33,-1.53,;4.42,-2.68,)|
COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)c3c2cccc3F)CC1 |t:22,(8.61,-1.98,;7.27,-2.75,;5.94,-1.98,;4.85,-3.07,;3.51,-2.3,;1.97,-2.3,;1.07,-3.55,;-.4,-3.07,;-1.73,-3.84,;-3.07,-3.07,;-3.07,-1.53,;-4.4,-.76,;-5.73,-1.53,;-7.07,-.76,;-7.84,.57,;-8.61,-.76,;-1.73,-.76,;-.4,-1.53,;1.07,-1.06,;-.13,-.09,;.42,1.35,;-.35,2.68,;1.96,1.27,;2.36,-.22,;3.85,-.62,;4.93,.47,;4.54,1.96,;3.05,2.36,;2.65,3.84,;3.06,-1.22,;4.4,-1.98,)|
COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)c3cc(ccc23)C#N)CC1 |t:17|
COC1CCC2(Cc3ccc(cc3C22N=C(N)c3cc(ccc23)C#N)C#CC2CC2)CC1 |t:16,(8.61,-2.12,;7.27,-2.89,;5.94,-2.12,;4.85,-3.21,;3.51,-2.45,;1.97,-2.45,;1.07,-3.7,;-.4,-3.22,;-1.73,-3.99,;-3.07,-3.22,;-3.07,-1.68,;-1.73,-.91,;-.4,-1.68,;1.07,-1.2,;-.13,-.24,;.42,1.2,;-.35,2.54,;1.96,1.12,;3.05,2.21,;4.54,1.81,;4.93,.32,;3.85,-.76,;2.36,-.37,;5.63,2.9,;6.71,3.99,;-4.4,-.91,;-5.73,-.14,;-7.07,.63,;-7.84,1.96,;-8.61,.63,;3.06,-1.36,;4.4,-2.12,)|
CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:20|
C[C@]1(CCSCC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:7|
C[C@]1(CCSCC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:7|
C[C@]1(CCS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:9|
C[C@]1(CCS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:9|
CC1SCC[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:7|
CC1SCC[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:7|
CC1C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:3|
CC1C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:3|
CC1C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2[nH]ncc2Cl)ccc1F |r,c:3|
CC1(C)C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:4|
C[C@]1(CCS(=O)(=O)C(C)(C)C(N)=N1)c1cc(NC(=O)c2[nH]ncc2Cl)ccc1F |r,c:11|
CC1(C)C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,c:4|
NC1=NC(CCS(=O)(=O)C1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |t:1|
C[C@@]1(N=C(N)CS(=O)(=O)[C@H]2COC[C@H]12)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,t:2|
Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCc5nc5cc(Cl)ccc45)cc3)ccc12
C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:7|
NC1=NC(CCS1)(c1cccc(NC(=O)c2cnc(OCC#C)cn2)c1)C(F)(F)F |t:1|
C[C@]1(CC(=C)SC(N)=N1)c1cncc(NC(=O)c2ccc(cn2)C#N)c1 |r,c:7|
Cc1ncc(NC(=O)c2ccc(cn2)C#N)cc1[C@]1(C)CC(=C)SC(N)=N1 |r,c:27|
CN(C)C\C(C)=C1\C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:10|
C\C(CN1CCCC1)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:13|
C\C(CN1CCC(F)(F)C1)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:15|
C\C(CN1CCOCC1)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:14|
C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)cnc1Cl |r,c:7|
C\C(C(F)F)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:9|
C\C(CO)=C1/C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:8|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1F |r,c:2,6|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cn2)ccc1F |r,c:2,6|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(cn2)C#N)ccc1F |r,c:2,6|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r,c:2,6|
Cc1ncn(n1)-c1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:27,31|
NC1=NC(CS1)(c1ccc(OC(F)(F)F)cc1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 |t:1|
CC(C)(O)\C=C1\C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:9|
C[C@]1(C\C(SC(N)=N1)=C\CO)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6|
C[C@]1(CC(=C)SC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:7|
NC1=NC(CCS1)(c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1)C(F)(F)F |t:1|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)C=CSC(N)=N2)c(N)n1 |r,c:19,23|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-c2ccc[nH]2)ccc1F |r,c:2,6|
COCCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:25,29|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(OCCF)cn2)ccc1F |r,c:2,6|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F |r,c:2,6|
C[C@]1(C=CSC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C#C)c1 |r,c:2,6|
C[C@]1(C=CSC(N)=N1)c1cccc(NC(=O)c2cnc(OCC#C)cn2)c1 |r,c:2,6|
COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)C=CSC(N)=N1 |r,c:21,25|
CC1=C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1,5|
CC1=C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2cnc(cn2)C#N)ccc1F |r,t:1,5|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(C)SC(N)=N1 |r,c:27,t:22|
Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(SC(N)=N1)c1ccccc1 |r,c:21,25|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(SC(N)=N1)c1ccccc1 |r,c:22,26|
C[C@]1(C=CSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:20,24|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,c:2,6|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:22,26|
Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1 |r,c:21,25|
COc1ccc(cc1)C1(CSC(N)=N1)c1cccc(NC(=O)c2cnc(O)cn2)c1 |c:13|
COc1ccc(cc1)C1(CSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 |c:13|
COCCOc1cnc(cn1)C(=O)Nc1cccc(c1)C1(CSC(N)=N1)C1CCCCC1 |c:26|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(N)O[C@@H]2C[C@H]12 |t:22|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)O[C@H]2C[C@@H]12 |t:22|
COc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
Cc1cc(OCC#CC(C)(C)O)cnc1C(=O)Nc1ccc(F)c(c1)C1(C)N=C(N)O[C@H]2C[C@@H]12 |r,t:29|
Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:21|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |r,t:1|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |r,t:1|
CC#CCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:27|
CC#CCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 |r,t:27|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1F |r,t:1|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F |r,t:1|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F |r,t:1|
COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:24|
COCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:23|
Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:21|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N |r,t:20|
COc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N |r,t:21|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F |r,t:1|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,t:1|
Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N |r,t:23|
Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12)C#N |r,t:23|
Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)(F)F |r,t:23|
Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12)C(F)(F)F |r,t:23|
Cc1nc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F |r,t:21|
Cc1ncc(Cl)nc1C(=O)Nc1ccc(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F |r,t:21|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:1|
CC#CCOc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)O[C@@H]3C[C@H]23)c(C)c1 |r,t:22|
CC#CCOc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)N=C(N)O[C@H]3C[C@@H]23)c(C)c1 |r,t:22|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(N=C(N)O[C@H]3C[C@@H]23)C(F)F)c(C)n1 |r,t:18|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F |r,t:25|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:1|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)n1 |r,t:18|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:1|
C[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:25|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(Cl)c1 |r,t:18|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:1|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:21|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,t:1|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cnc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1F)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 |r,t:24|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1F)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:24|
COC[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F |r,t:4|
COC[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F |r,t:4|
COC[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:4|
COC[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:4|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(OC)n1 |r,t:18|
COc1cnc(cn1)C(=O)Nc1cc(Cl)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:24|
COc1cc(cnc1C(=O)Nc1cc(Cl)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N |r,t:24|
Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(Cl)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:27|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(Cl)c1F |r,t:1|
COc1cnc(C(=O)Nc2cc(Cl)c(F)c(c2)[C@@]2(CF)N=C(N)O[C@@H]3C[C@H]23)c(C)n1 |r,t:21|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(Cl)c1F |r,t:1|
Cc1cc(cnc1C(=O)Nc1cc(Cl)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N |r,t:23|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl |r,t:1|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,t:1|
CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:24|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl |r,t:1|
COc1ccc(nc1)C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:21|
COc1cnc(C(=O)Nc2ccc(Cl)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)c1 |r,t:18|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cocn3)cn2)ccc1Cl |r,t:1|
COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:21|
COc1cnc(nc1)C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:21|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,t:1|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,t:1|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1F |r,t:1|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |r,t:1|
COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cn2)ccc1F |r,t:1|
Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:26|
COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
Cc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F |r,t:21|
Cc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)(F)F |r,t:22|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:26|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1Cl |r,t:1|
COCc1cc(Cl)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:25|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r,t:1|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:21|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)c1 |r,t:18|
Cc1cc(NC(=O)c2ncc(cc2C)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:23|
Cc1cc(NC(=O)c2ncc(cc2Cl)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:23|
COc1cc(Cl)cnc1C(=O)Nc1cc(C)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:23|
Cc1cc(NC(=O)c2ncc(Cl)cc2Cl)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1Cl |r,t:1|
Cc1cc(cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12)C#N |r,t:23|
Cc1cc(cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N |r,t:23|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(OCC#C)cn2)cc(F)c1Cl |r,t:1|
CSc1c(F)cc(NC(=O)c2ccc(Cl)cn2)cc1[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:24|
COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:24|
COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 |r,t:24|
COc1c(F)cc(NC(=O)c2ccc(Cl)cn2)cc1[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:24|
COc1c(F)cc(NC(=O)c2ccc(Cl)cn2)cc1[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 |r,t:24|
CC(C)Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:23|
C[C@@H](Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#C |r,t:22|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2csc(n2)C(F)F)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2coc(n2)C#CC2CC2)ccc1F |r,t:1|
COc1cnc(cn1)C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 |r,t:24|
Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 |r,t:27|
Cn1nc(cc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C(F)F |r,t:19|
COc1cnc(cn1)C(=O)Nc1cc(F)c(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:24|
Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:27|
Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 |r,t:29|
CC(C)n1cc(Cl)c(n1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
C[C@H](Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#C |r,t:22|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3nccs3)cn2)ccc1F |r,t:1|
Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:19|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2coc(CF)n2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cscn3)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cncs3)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cnco3)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCc3nccs3)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCc3ncco3)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCc3cocn3)cn2)ccc1F |r,t:1|
C[C@H](F)c1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:21|
Cc1csc(c1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:19|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cc(Cl)cs2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cc(cs2)C#N)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)s2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2csc(Cl)c2)ccc1F |r,t:1|
CS(=O)(=O)c1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:23|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1Cl |r,t:1|
Cc1cc(OCC#N)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:24|
Cc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)c1 |r,t:17|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C(F)F |r,t:20|
COc1ccc(nn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:21|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C(F)(F)F |r,t:20|
Cc1cc(OCC(F)(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:26|
Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:20|
CC(F)(F)Oc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:24|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:1|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:23|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:23|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N |r,t:22|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,t:1|
Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:23|
CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:26|
Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:27|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cc3ccccc3cn2)ccc1F |r,t:1|
CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:26|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)cnc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cnc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cnc1F |r,t:1|
NC1=N[C@]([C@@H]2C[C@@H]2O1)(c1cccc(NC(=O)c2ccc(Cl)cn2)c1)C(F)(F)F |r,t:1|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(Cl)c(c1)C1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:24|
CC#CCOc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F |r,t:24|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1Cl |r,t:1|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:24|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F |r,t:24|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1Cl |r,t:1|
CC#CCOc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:24|
Cc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C(F)(F)F |r,t:20|
NC1=N[C@]([C@@H]2C[C@@H]2O1)(c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F)C(F)(F)F |r,t:1|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl |r,t:1|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1Cl |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl |r,t:1|
Cc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N |r,t:20|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1Cl |r,t:1|
COc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:21|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:1|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(CF)N=C(N)O[C@@H]3C[C@H]23)c(Cl)c1 |r,t:20|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F |r,t:1|
CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:24|
Cc1cc(cnc1C(=O)Nc1cnc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)cnc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F |r,t:1|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:24|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OC(F)F)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2CCCCC2)ccc1F |r,t:1|
COCC(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:15|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)CC2CCCCC2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2CCOCC2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2=CCCCC2)ccc1F |r,t:1,19|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)[C@H]2CCCO2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2(CC2)c2ccc(Cl)cc2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2(CCC2)c2ccc(Cl)cc2)ccc1F |r,t:1|
COCCC(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:16|
Cn1cc(ccc1=O)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:21|
Cn1ccc(cc1=O)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:21|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OCC#CC3CC3)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)CC(F)(F)F)ccc1F |r,t:1|
C[C@H](C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)c1ccc(Cl)cc1 |r,t:14|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)[C@@H]2CCOC2)ccc1F |r,t:1|
CC(C)(C)OCC(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:18|
COCCOCC(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:18|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)COc2ccccc2)ccc1F |r,t:1|
CO[C@H](C)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:16|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2CC(=O)C2)ccc1F |r,t:1|
C[C@@H](Oc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N |r,t:22|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C2CC2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)C#Cc2ccccc2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |r,t:1|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |r,t:1|
Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:20|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F |r,t:1|
Cc1ccc(NC(=O)c2ccc(cn2)C#N)cc1[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:21|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl |r,t:1|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl |r,t:1|
COc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:23|
COc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@]1(CF)N=C(N)O[C@H]2C[C@@H]12 |r,t:23|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1Cl |r,t:1|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1Cl |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl |r,t:1|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1Cl |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl |r,t:1|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1Cl |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1Cl |r,t:1|
COc1ccc(nc1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:23|
Cc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N |r,t:22|
COc1cnc(C(=O)Nc2ccc(Cl)c(c2)[C@@]2(CF)N=C(N)O[C@@H]3C[C@H]23)c(Cl)c1 |r,t:20|
CC#CCOc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:26|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cccc(Cl)n2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cc(Cl)ccn2)ccc1F |r,t:1|
CC(C)c1cccnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
CC(C)c1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:23|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Br)cc2C(F)F)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)-c2ccccc2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccccn2)ccc1F |r,t:1|
Cc1cccnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:20|
COc1cnc(cn1)C(=O)Nc1ccc(C)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:21|
Cc1ccc(NC(=O)c2ccc(Cl)cn2)cc1[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:20|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,t:1|
COc1cc(Cl)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:24|
Cc1cc(NC(=O)c2ncc(cn2)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
COc1cnc(cn1)C(=O)Nc1cc(C)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
COc1cnc(C(=O)Nc2cc(C)c(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)n1 |r,t:19|
COc1cnc(C(=O)Nc2ccc(Cl)c(c2)[C@@]2(CF)N=C(N)O[C@@H]3C[C@H]23)c(C)n1 |r,t:20|
Cc1cc(NC(=O)c2ncc(Cl)cc2F)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
Cc1cc(NC(=O)c2ncc(Cl)cc2C)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
COc1ccc(nc1)C(=O)Nc1cc(C)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
COc1cnc(C(=O)Nc2cc(C)c(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)c1 |r,t:19|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(F)c1 |r,t:18|
COc1cc(F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2CF)ccc1F |r,t:1|
Cc1cc(cnc1C(=O)Nc1cc(F)c(C)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N |r,t:21|
Cc1cc(cnc1C(=O)Nc1cc(F)c(C)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F)C#N |r,t:21|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#C)ccc1F |r,t:1|
CC#Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:29|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1Cl |r,t:1|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1Cl |r,t:1|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(N)O[C@H]2C[C@@H]12 |t:22|
C[C@]1([C@H]2C[C@H]2OC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OC
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:1|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)O[C@@H]2C[C@H]12 |r,t:22|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)N=C(N)O[C@H]2C[C@@H]12 |r,t:22|
C[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
C[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
C[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
C[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
C[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1nc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC2(COC2)c2ccc(Cl)cn2)ccc1F |r,t:1|
C[C@]1(N=C(N)O[C@H]2C[C@@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F |r,t:2|
C[C@@]1(N=C(N)O[C@@H]2C[C@H]12)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F |r,t:2|
COc1cnc(cn1)C(=O)Nc1cnc(F)c(c1)[C@]1(C)N=C(N)O[C@H]2C[C@@H]12 |r,t:22|
COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(C)N=C(N)O[C@H]4C[C@@H]34)nccc2c1 |r,t:18|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)N=C(N)O[C@@H]4C[C@H]34)nccc2c1 |r,t:18|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)N=C(N)O[C@H]4C[C@@H]34)nccc2c1 |r,t:18|
COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(C)N=C(N)O[C@@H]4C[C@H]34)nccc2c1 |r,t:18|
NC1=C[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F |r,t:1|
COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)ncc(F)c2c1 |r,t:19|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F |r,t:1|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(N=C(N)O[C@@H]4C[C@H]34)C(F)F)nccc2c1 |r,t:17|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1Cl |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1Cl |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F |r,t:1|
COc1cnc2c(Nc3ccc(F)c(c3F)[C@]3(CF)N=C(N)O[C@H]4C[C@@H]34)nccc2n1 |r,t:20|
COc1cnc2c(Nc3ccc(F)c(c3F)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)nccc2n1 |r,t:20|
COc1cnc2c(Nc3cc(Cl)c(F)c(c3)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)nccc2n1 |r,t:20|
CC(C)Oc1cnc2c(Nc3cc(Cl)c(F)c(c3)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)nccc2n1 |r,t:22|
Cn1cc2ccnc(Nc3ccc(F)c(c3)[C@]3(N=C(N)O[C@@H]4C[C@H]34)C(F)F)c2n1 |r,t:18|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1Cl |r,t:1|
COc1cnc2c(Nc3ccc(Cl)c(c3)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)nccc2n1 |r,t:19|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(Cl)cnc23)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1Cl |r,t:1|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(N=C(N)O[C@@H]4C[C@H]34)C(F)F)ncnc2c1 |r,t:17|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3nc(cnc23)C(F)(F)F)ccc1F |r,t:1|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)cc(F)c1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)cc(F)c1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2CCC2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC#Cc2ccccc2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2(CC2)c2ccc(Cl)cc2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC[C@@H]2C[C@H]2c2ccccc2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC[C@H]2C[C@H]2c2ccccc2)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2CC(=C)C2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2(CC2)C(F)(F)F)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCc2ccc(Cl)cn2)ccc1F |r,t:1|
C[C@@H](Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)c1ccc(Cl)cn1 |r,t:12|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NCC2CC2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCc3cc(Br)cnc23)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCCc3cc(Br)cnc23)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCOc3cc(cnc23)C#N)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@@H]2CCc3cc(Br)ccc23)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2coc3cc(Cl)ccc23)ccc1F |r,t:1|
COCc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N |r,t:24|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2CO)C#N)ccc1Cl |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1F |r,t:1|
CN(C)c1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N |r,t:22|
Cc1cc(NC(=O)c2ccc(cn2)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
COCc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N |r,t:22|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(Nc2ncnc3cc(cnc23)C#N)ccc1F |r,t:1|
CC(C)c1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N |r,t:22|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2C(F)F)C#N)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2CO)C#N)ccc1F |r,t:1|
COc1cc(cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12)C#N |r,t:23|
Cc1cc(NC(=O)c2ncc(cc2F)C#N)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:23|
COc1cc(cnc1C(=O)Nc1cc(C)c(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#N |r,t:22|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@@H]2CCc3cc(cnc23)[N+]#[C-])ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCc3cc(cnc23)C#N)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@@H]2CCCc3cc(cnc23)C#N)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@@H]2CCc3cc(cnc23)C#N)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#CC2CC2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(cnc23)C#CC2CC2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(cn2)C#CC2CC2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncc(F)c3cc(cnc23)C#CC2CC2)ccc1F |r,t:1|
CC1(COC1)C#Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:27|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#CC3CC3)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3CCOCC3)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3CCOC3)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC=C)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3CCCCC3)cn2)ccc1F |r,t:1|
CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:22|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3CCCC3)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2CO)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2CO)ccc1Cl |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NS(=O)(=O)c2ccc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H](c2ccc(Cl)cn2)C(F)(F)F)ccc1F |r,t:1|
NC1=NC(CF)(C2CC2O1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |t:1|
CS(=O)(=O)c1c(F)cc(NC(=O)c2ccc(Cl)cn2)cc1[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:26|
NC1=N[C@](C(F)F)([C@@H]2C[C@@H]2O1)c1cc(ccc1F)-c1nc2ccc(Cl)cc2o1 |t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(ccc1F)-c1nc2ccc(Cl)cc2o1 |t:1|
COC[C@H](C)NC(=O)c1ccc(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F |r,t:17|
COC[C@H](C)NC(=O)c1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:17|
CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:19|
CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F |r,t:19|
CC#Cc1cncc(c1)-c1cc(c(F)cc1CO)C1(CF)N=C(N)OC2CC12 |t:23|
OCc1cc(F)c(cc1-c1cncc(F)c1)C1(CF)NC(=N)OC2CC12
CC#Cc1cnn(c1)-c1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:18|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(ccc1F)-n1cc(cn1)C#CC1CC1 |r,t:1|
COC(=O)c1ccc(cc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(N=C(N)O[C@H]2C[C@@H]12)C(F)F |r,t:24|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(ccc1F)N1Cc2cc(Cl)cnc2C1=O |r,t:1|
COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:20|
CNc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |t:21|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(ccc1F)-c1nnc([nH]1)-c1ccc(F)cc1 |t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2CF)ccc1Cl |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1Cl |r,t:1|
Cc1cc(Cl)cnc1C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:23|
Cc1cc(NC(=O)c2ccc(Cl)cc2CF)cc(c1F)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:23|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(F)cn2)ccc1Cl |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,t:1|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(N=C(N)O[C@@H]4C[C@H]34)C(F)F)nccc2n1 |r,t:17|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(N=C(N)O[C@@H]4C[C@H]34)C(F)F)ncc(F)c2c1 |r,t:17|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2ncnc3cc(cnc23)C(F)(F)F)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1Cl |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2c(F)cc(F)cc2F)ccc1F |r,t:1|
CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N(C)C(C)c1ccccc1)C(=O)NCC(C)C
CC(C)CNC(=O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N(C)C(C)c1ccccc1)C(C)O
CC(C)CNC(=O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N(C)C(C)c1ccccc1)C(C)O
CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N(C)C(C)c1ccccc1)C(=O)NCC(C)C
CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N1CCCC1OC)C(=O)NCC(C)C
CCCC(O)C(NCC(O)C(Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N1CCCC1OC)C(=O)NCC(C)C
COc1nc(nc(C)c1F)N1C[C@@H]2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1 |r|
COc1nc(nc(C)c1F)N1C[C@@H]2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1ccc(F)cc1 |r|
COc1nc(nc(C)c1F)N1C[C@@H]2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1cc(F)ccc1F |r|
COc1nc(nc(C)c1F)N1C[C@@H]2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1F |r|
COc1nc(nc(C)c1F)N1C[C@@H]2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1cc(F)c(F)cc1F |r|
COc1nc(nc(C)c1F)N1CC2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1ccc(F)cc1F |r|
COCc1cc(OC)nc(c1)N1CC2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1cc(F)c(F)cc1F |r|
COCc1cc(OC)nc(c1)N1CC2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1F |r|
COCc1cc(OC)nc(c1)N1C[C@@H]2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1cc(F)ccc1F |r|
COc1nc(nc(C)c1F)N1CC2C(C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1
CCOCc1cc(OC)nc(c1)N1CC2C(C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1
COCc1cc(OC)nc(c1)N1CC2C(C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1
COc1nc(nc(OC)c1F)N1CC2C(C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1
COc1cccc(n1)N1CC2C(C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1
CCc1nc(nc(OC)c1F)N1CC2C(C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1
COc1nc(nc(C2CC2)c1F)N1CC2C(C1)(NC(=N)N(C)S2(=O)=O)c1ccccc1
CN1C(=N)NC2(CN(CC2S1(=O)=O)c1cccc(C)c1)c1ccccc1
CN1C(=N)N[C@]2(CN(CC2S1(=O)=O)C(C)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
COc1nc(nc(C)c1F)N1CC2[C@](C1)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)OCC1(F)F)C#N |r,t:21|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
CC1(C)OC(N)=N[C@](C)(c2nc(NC(=O)c3ncc(cc3Cl)C#N)ccc2F)C1(F)F |r,c:5|
COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:5|
COCC[C@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:5|
COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:5|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)(F)F)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)(F)F)nc2N)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)nc2N)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCCF)nc2N)ccc1F |r,t:2|
COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(C)c1 |r,t:19|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCF)nc2N)ccc1F |r,t:2|
COCCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:22|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C#CCO)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(F)cc2N)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(Cl)cc2N)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncccc2Cl)ccc1F |r,t:2|
COCC#Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 |r,t:22|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(nc2N)C(F)F)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCCl)nc2N)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)cc2Cl)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCF)nc2N)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCF)cc2Cl)ccc1F |r,t:2|
CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1 |r,t:20|
COCCc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:21|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2nccnc2N)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#CCO)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2N)C(F)F)ccc1F |r,t:2|
CC(F)(F)c1nc(N)c(nc1Cl)C(=O)Nc1ccc(F)c(n1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:26|
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
CC(F)(F)c1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:21|
C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2cn3ncsc3n2)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2cn3ccsc3n2)ccc1F |r|
Cc1nc(no1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(NC(=O)c2cnsn2)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCCC2)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCCCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCOCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCOCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(ccc1F)-c1cccc(c1)C#N |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(ccc1F)-c1cncc(Cl)c1 |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(ccc1F)-c1cncc(c1)C#N |r|
COc1cccc2cc(-c3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C4(CCCC4)C(=N)N3)n(C(=O)OC(C)(C)C)c12 |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(ccc1F)-n1cc(nn1)-c1ccccc1 |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(ccc1F)-n1cc(nn1)-c1cccnc1 |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1sc(cc1Cl)-c1cncnc1 |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 |r|
COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCCCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)C#N |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)-c1cncnc1 |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 |r|
COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCOCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)C#N |r|
C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N |r|
C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cncnc1 |r|
C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)C(F)(F)F |r|
COc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCOCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C(F)(F)F |r|
C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(F)c1 |r|
C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)N1CCCC1 |r|
COc1cc(cc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCOCC2)C(=N)N1)C#N |r|
C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 |r|
COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)[N+]#[C-] |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(cc1Cl)-c1cncnc1 |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)[N+]#[C-] |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r|
CC1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N |r|
COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)-c1ncco1 |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)N1CCOCC1 |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccoc1 |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1cccs1 |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccco1 |r|
CC(C)(O)c1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccccc1 |r|
CC1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N |r|
COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 |r|
C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)-c1ncco1 |r|
CCc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)N1CCOCC1 |r|
C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccccc1 |r|
C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccoc1 |r|
C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1cccs1 |r|
C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1sc(cc1Cl)-c1ccnc(c1)-c1ccsc1 |r|
COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)[N+]#[C-] |r|
C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 |r|
C[C@]1(CS(=O)(=O)C2(C[C@H](O)C2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,wU:1.0,wD:8.8,(1.86,-4.05,;.68,-3.06,;-.09,-4.39,;-1.63,-4.39,;-1.68,-5.93,;-2.93,-5.21,;-2.4,-3.06,;-3.49,-4.15,;-4.57,-3.06,;-6.11,-3.06,;-3.49,-1.97,;-1.63,-1.73,;-2.4,-.39,;-.09,-1.73,;1.86,-2.07,;1.6,-.55,;2.78,.44,;2.51,1.95,;3.69,2.94,;5.13,2.42,;3.42,4.46,;4.6,5.45,;4.33,6.97,;2.89,7.49,;2.62,9.01,;1.71,6.5,;1.97,4.99,;4.22,-.09,;4.49,-1.61,;3.31,-2.6,;3.58,-4.11,)|
C[C@]1(CS(=O)(=O)[C@]2(C[C@H](O)C2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,wU:6.10,8.8,1.0,(1.86,-4.05,;.68,-3.06,;-.09,-4.39,;-1.63,-4.39,;-1.68,-5.93,;-2.93,-5.21,;-2.4,-3.06,;-3.49,-1.97,;-4.57,-3.06,;-6.11,-3.06,;-3.49,-4.15,;-1.63,-1.73,;-2.4,-.39,;-.09,-1.73,;1.86,-2.07,;1.6,-.55,;2.78,.44,;2.51,1.95,;3.69,2.94,;5.13,2.42,;3.42,4.46,;4.6,5.45,;4.33,6.97,;2.89,7.49,;2.62,9.01,;1.71,6.5,;1.97,4.99,;4.22,-.09,;4.49,-1.61,;3.31,-2.6,;3.58,-4.11,)|
C[C@]1(CS(=O)(=O)C2(CCC(O)C2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(cc1Cl)C#CC1(CCCC1)c1ccccc1 |r|
CC(C)(C)C#Cc1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(cc1Cl)C#CC1CCCC1 |r|
CNCCC#Cc1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(cc1Cl)C#CCN1CCOCC1 |r|
CCc1cccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C3(CC3)C(=N)N2)n1 |r|
COc1cccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C3(CC3)C(=N)N2)n1 |r|
C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1sc(cc1Cl)C(=O)Nc1cccc(Cl)n1 |r|
C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1sc(cc1Cl)C(=O)Nc1cccc(F)n1 |r|
Cc1cccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C3(CC3)C(=N)N2)n1 |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cnoc1 |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cnsn1 |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cnn2ccccc12 |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccncn1 |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cccc(F)c1 |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccc(F)cc1 |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccc(cc1)[N+]#[C-] |r|
Cc1cncc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C3(CCCCC3)C(=N)N2)c1 |r|
Cc1cc2cccc(NC(=O)c3cc(Cl)c(s3)[C@]3(C)CS(=O)(=O)C4(CCCCC4)C(=N)N3)c2o1 |r|
Cn1ccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C3(CCCCC3)C(=N)N2)n1 |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccsn1 |r|
COc1cccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C3(CCCCC3)C(=N)N2)n1 |r|
CCc1cccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C3(CCCCC3)C(=N)N2)n1 |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)C2CC2)ccc1F |r|
CCOCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccno2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2cocn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)C2CCO2)ccc1F |r|
CC1(CC1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)C2CCC2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)CC2CC2)ccc1F |r|
Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)C2(CC2)C#N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)[C@H]2CCCO2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r|
CCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)C(F)F)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)C2CCC2(F)F)ccc1F |r|
CC1(COC1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)CC(F)(F)F)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)C2CC2(F)F)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2cncs2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2cscn2)ccc1F |r|
COCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r|
CC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r|
Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)S(C)(=O)=O)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ccc(OC(F)(F)F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ncccc2C(F)(F)F)ccc1F |r|
CC(F)(F)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r|
COc1ccc(nn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r|
Cc1cc(no1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(NC(=O)c2ncc(Cl)cc2C#N)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1cc(N)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1cc(ccc1F)[N+]([O-])=O |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1cc(N)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1cc(N)ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(=N)N1)c1sc(Br)cc1Cl |r|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(=N)N1)c1sc(Br)cc1Cl |r|
C[C@]1(CS(=O)(=O)C2(CCOCC2)C(=N)N1)c1sc(Br)cc1Cl |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(=N)N1)c1sc(Br)cc1Cl |r|
C[C@]1(CS(=O)(=O)[C@]2(CCOC2)C(=N)N1)c1cc(ccc1Cl)[N+]([O-])=O |r|
C[C@]1(CS(=O)(=O)[C@@]2(CCOC2)C(=N)N1)c1cc(ccc1Cl)[N+]([O-])=O |r|
C[C@]1(CS(=O)(=O)C2(CC2)C(=N)N1)c1sc(Br)cc1Cl |r|
CN1C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CN1C(=N)N[C@@]2(COC[C@@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)N(C)C(=N)N2 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]12COC[C@@H]1S(=O)(=O)N(C)C(=N)N2 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)N(C)C(=N)N2 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]12COC[C@@H]1S(=O)(=O)N(C)C(=N)N2 |r|
CN1C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CN1C(=N)N[C@@]2(COC[C@@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CN1C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
CN1C(=N)N[C@@]2(COC[C@@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
CN1C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r|
CN1C(=N)N[C@@]2(COC[C@@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r|
CN1C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F |r|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)N(C)C(=N)N3)c(F)c1 |r|
CN1C(=N)NC2(COCC2S1(=O)=O)c1ccccc1F
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(F)cc1)c1ccc(F)cc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1cccc(F)c1)c1ccc(F)cc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccccc1F)c1ccc(F)cc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(F)cc1F)c1ccc(F)cc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(F)c(F)c1)c1ccc(F)cc1F |t:1|
Cc1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:14|
Cc1ccccc1[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:14|
Cc1cc(ccc1F)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
Cc1ccc(cc1F)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
Cc1cc(F)cc(c1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
Cc1ccc(F)c(c1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(Cl)cc1)c1ccc(F)cc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccccc1C(F)(F)F)c1ccc(F)cc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccccc1OC(F)(F)F)c1ccc(F)cc1F |t:1|
COc1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
COc1ccccc1[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15|
COc1cc(ccc1F)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:16|
COc1ccc(cc1F)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:16|
COc1ccc([C@H]2C[C@H]3CSC(N)=N[C@]3(CO2)c2ccc(F)cc2F)c(F)c1 |c:12|
COc1cc(F)cc(c1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:16|
COc1ccc(F)c(c1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:16|
CCOc1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:16|
COCc1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:16|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc2OCCc2c1)c1ccc(F)cc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc2OCOc2c1)c1ccc(F)cc1F |t:1|
COC(C)c1ccc(cc1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:17|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1cccc(c1)C#N)c1ccc(F)cc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(cc1)C#N)c1ccc(F)cc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ccc(cc1)C(F)F)c1ccc(F)cc1F |t:1|
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1ccc(F)cc1)c1ccc(F)cc1F |c:4|
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1ccc(cc1)C#N)c1ccc(F)cc1F |c:4|
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cccc(c1)C#N)c1ccc(F)cc1F |c:4|
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r,t:1|
CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r,t:1|
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |t:1|
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCc1ccc(CNC(=O)c2cc(O)c3C(=O)c4c(O)cccc4C(=O)c3c2)cc1 |t:1|
CC1=C[C@H]2C[C@@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
CC1=C[C@@H]2C[C@H](C1)c1c(C2)nc2cc(Cl)ccc2c1N |r,t:1|
CC1(COCC(N)=N1)c1cccc(NCc2ccc(Cl)cc2)c1 |c:6|
CCCCNc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 |r,c:19|
CC(C)CCNc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 |r,c:20|
CC(C)C(C)Nc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 |r,c:20|
C[C@]1(COCC(N)=N1)c1cc(NCC(F)(F)F)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(NCC(F)F)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(NCCC(F)(F)F)ccc1F |r,c:6|
CSCCCNc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 |r,c:20|
C[C@]1(COCC(N)=N1)c1cc(NC2CCC2)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(NC2CCCC2)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(NC2CCOC2)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(N[C@H]2CCC[C@@H]2O)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(N[C@H]2CCC[C@H]2O)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(NCC2CC2)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(NC[C@H]2CCCO2)ccc1F |r,c:6|
CC(C)C(Nc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1)c1ccc(Cl)cn1 |r,c:19|
CC1(COCC(N)=N1)c1cccc(Nc2cccc3cc(Cl)cnc23)c1 |c:6|
C[C@]1(COCC(N)=N1)c1cc(Nc2cccc3cc(Cl)cnc23)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(Nc2cc(Cl)cc3cc(Cl)cnc23)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(Nc2cc(F)cc3cc(Cl)cnc23)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(Nc2cccc3cc(OC(F)F)cnc23)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(Nc2cccc3cc(OCCF)cnc23)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(Nc2cc(F)cc3cc(OCC4CC4)cnc23)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(Nc2cccc3cc(OCC(F)(F)F)cnc23)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(Nc2ccon2)ccc1F |r,c:6|
Cn1nc(Nc2ccc(F)c(c2)[C@@]2(C)COCC(N)=N2)c2ccc(Cl)cc12 |r,c:19|
C[C@@]1(COCC(N)=N1)c1cc(NC2CCc3cc(Cl)ccc23)ccc1F |r,c:6|
CC1(COCC(N)=N1)c1cccc(Nc2cc(F)cc3cc(Cl)cnc23)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(NC2CCc3cc(Cl)ccc23)c1 |c:6|
C[C@]1(COCC(N)=N1)c1cc(NC2CCc3cc(Cl)cnc23)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(Nc2ccccc2OCC(F)F)ccc1F |r,c:6|
C[C@]1(COCC(N)=N1)c1cc(Nc2ccccc2OCC(F)(F)F)ccc1F |r,c:6|
CC1(COCC(N)=N1)c1cccc(Nc2ccccc2OC(F)F)c1 |c:6|
C[C@]1(COCC(N)=N1)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F |r,c:6|
CCCC1Oc2ccc(Br)cc2C2(COC(N)=N2)C11COC1 |c:17|
NC1=NC2(CO1)c1cc(ccc1OC(CCC(F)(F)F)C21COC1)-c1cncnc1 |t:1|
CC#Cc1ccnc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1 |c:25|
NC1=NC2(CO1)c1cc(ccc1OCC21CC1)-c1cnc2[nH]ccc2c1 |t:1|
C[C@]1(CSCC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6|
C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:8|
C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:8|
C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:8|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:4|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:30|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:4|
C[C@]1(CS(=O)(=O)C2(CCCC2)C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:13|
Cc1cc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)C=CSC(N)=N2)n(C)c1 |r,c:17,21|
CC1(COCC(N)=N1)c1cccc(Nc2nsc3cc(Br)ccc23)c1 |c:6|
Cn1nc(Nc2cccc(c2)C2(C)COCC(N)=N2)c2ccc(Br)cc12 |c:18|
CC1(COCC(N)=N1)c1cccc(Nc2noc3ccccc23)c1 |c:6|
CC1(COCC(N)=N1)c1cc(NCc2ccco2)ccc1F |c:6|
NC1=NC(CF)(COC1)c1cc(NCc2ccc(Br)cc2Cl)ccc1F |t:1|
NC1=NC(COC1)(C(F)F)c1cc(NCc2cc(Br)co2)ccc1F |t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,t:1|
COCCOc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(COCC(N)=N3)C(F)F)nccc2c1 |r,c:24|
NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccc3cc(OCCCl)cnc23)ccc1F |r,t:1|
Cc1cn2ccnc(Nc3ccc(F)c(c3)[C@@]3(COCC(N)=N3)C(F)F)c2n1 |r,c:22|
CC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccn3ccnc23)ccc1F |r,t:1|
NC1=N[C@](COC1)(C(F)F)c1cc(Nc2nccn3c(Br)cnc23)ccc1F |r,t:1|
COc1cccnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:23|
NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncccn2)ccc1F |r,t:1|
COc1ccnc(Nc2ccc(F)c(c2)[C@@]2(COCC(N)=N2)C(F)F)n1 |r,c:21|
COc1nccnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:23|
CCOc1cccnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:24|
NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncccc2OCC(F)F)ccc1F |r,t:1|
COc1cncnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:23|
NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncccc2OC(F)F)ccc1F |r,t:1|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(Nc2ncnc3cc(cnc23)C(F)(F)F)ccc1F |r,c:7|
COc1cccnc1Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:25|
COc1cc(cnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)[N+]([O-])=O |r,c:23|
COc1cc(N)cnc1Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:24|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(Nc2ncnc3cc(cnc23)C(F)(F)F)ccc1F |r,c:7|
COc1ccccc1Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:25|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(Nc2ncccc2C#N)ccc1F |r,c:7|
COc1cccnc1Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:25|
Cn1nc(Nc2cccc(c2)[C@]2(C)COCC(N)=N2)c2ccccc12 |r,c:18|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@@H](OC(N)=N1)C(F)(F)F |r,c:27|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F |r,t:1|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(CF)C[C@H](OC(N)=N3)C(F)(F)F)nccc2n1 |r,c:23|
Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:31|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[C@H](OC(NC(=O)c2ccccc2)=N1)C(F)(F)F |r,c:35|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F |r,t:1|
Cc1cc(Cl)cnc1C(=O)Nc1cnc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:26|
c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C[C@H](OC(=N3)N)C(F)(F)F)CF)F
Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:26|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:1|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c(C)n1 |r,c:24|
COc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:28|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)cnc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,c:6|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c(Cl)c1 |r,c:24|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F |r,t:1|
Cc1cc(OCC2CC2)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:32|
COc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F)C#N |r,c:27|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,t:1|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)cnc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)cnc1F |r,c:6|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncnc3cc(cnc23)[N+]#[C-])ccc1F |r,t:1|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
C[C@]1(C[C@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nccc3cc(Cl)cnc23)cnc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)cnc1F |r,c:6|
Cc1cc(cnc1C(=O)Nc1cnc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N |r,c:25|
COc1cnc(C(=O)Nc2cnc(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(Cl)c1 |r,c:23|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nccc3cc(cnc23)C#N)cnc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2ncnc3cc(cnc23)C#N)cnc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)cnc1F |r,c:6|
Cc1cc(Cl)cnc1C(=S)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
Cc1c(nc2ccccn12)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:30|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(cn2)C(F)F)cc(F)c1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:6|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:1|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:6|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N |r,c:25|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(Br)cc2Cl)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1cncc(c1)C#N |r,t:1|
COC(=O)c1ccnc(Oc2ccc(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c1 |r,c:25|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cnccn2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)ccn2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ncccc2F)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ncc(Cl)cc2F)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ncccc2C#N)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ncccn2)ccc1F |r,t:1|
CNC(=O)c1ccnc(Oc2ccc(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c1 |r,c:25|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2nccc(c2F)C(F)(F)F)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ncccc2Cl)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cccc(n2)C(F)(F)F)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)cc(Cl)n2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(ccn2)C(F)(F)F)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(ccn2)-c2ccccc2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(N)cnc1F |t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cnc1F |r,t:1|
Cc1cc(cnc1C(=O)Nc1cnc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F)C#N |r,c:26|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)cnc1F |r,t:1|
COc1ccc(nc1)C(=O)Nc1cnc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 |r,t:1|
COc1ccc(nc1)C(=O)Nc1cccc(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:26|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cccc(Nc2nccc3cc(Cl)cnc23)c1 |r,t:1|
COc1ncc(NC(=O)c2ccc(Cl)cn2)cc1[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:26|
Cn1cc(NC(=O)c2ccc(cn2)[N+]#[C-])cc(c1=O)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
Cn1cc(NC(=O)c2ccc(Cl)cn2)cc(c1=O)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:26|
Cc1cc(cnc1C(=O)Nc1cc(c(=O)n(C)c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)[N+]#[C-] |r,c:26|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(CF)C[C@H](OC(N)=N3)C(F)(F)F)nccc2c1 |r,c:23|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(CF)C[C@H](OC(N)=N3)C(F)(F)F)ncnc2c1 |r,c:23|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:29|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(Br)cc2Cl)ccc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F |r,c:6|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1nc2ccc(Cl)cc2o1 |r,t:1|
CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:25|
C[Si](C)(C)C#Cc1ccc(cn1)-c1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:28|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1ccc(nc1)C#C |r,t:1|
CC#Cc1ccc(cn1)-c1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:25|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1ncc2cc(F)ccc2n1 |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1ccc2cc(F)ccc2n1 |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1ccc2ccc(F)cc2n1 |r,t:1|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nc3ccc(Cl)cc3o2)ccc1F |r,c:6|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1cncc(c1)-c1nnco1 |r,t:1|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nc3cc(Cl)ccc3o2)ccc1F |r,c:6|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncccc2F)ccc1F |r,t:1|
COc1cccnc1Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:25|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2cc(Cl)ccn2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ccnc(Br)c2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2cc(ccn2)-c2ccccc2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cccc(Cl)n2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2ccccn2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ccnc(c2)C#N)ccc1F |r,t:1|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,c:6|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#CC2CC2)ccc1F |r,t:1|
Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:32|
CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:30|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)F)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C(F)F)ccc1F |r,t:1|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:30|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3nc(cnc23)C(F)(F)F)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(Cl)cnc23)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(cnc23)C#CC2CC2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cc(cnc23)C#CC2CC2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cn(nc23)C(F)F)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)ccc1F |r,t:1|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |r,c:6|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C(=O)NC1CC1 |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncnc3sc(nc23)C(F)F)ccc1F |r,t:1|
COC1CCN(CC1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:26|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCC(CC2)OCC#C)ccc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCc3ccccc3C2)ccc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCC(CC2)C(F)F)ccc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCC=CC2)ccc1F |r,c:6,22|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)N2CCC(=CC2)C#CC2CC2)ccc1F |r,c:6,22|
COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(Cl)c1 |r,c:23|
NC1=NC(C[C@H](O1)C(F)(F)F)(C(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:1|
COc1cnc(cn1)C(=O)Nc1cnc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:26|
COc1ccc(nc1)C(=O)Nc1cnc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:26|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)cnc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)cnc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC#C)cn2)cc(F)c1F |r,c:6|
CC(C)n1cc(Cl)c(n1)C(=O)Nc1cnc(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cnc1F |r,c:6|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])cc(F)c1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,t:1|
COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:28|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |r,t:1|
CC#CCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:31|
COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:28|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCC#C)cn2)cc(F)c1F |r,t:1|
CC#CCOc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:31|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2nccc3cc(cnc23)C#N)cc(F)c1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#CC2CC2)cc(F)c1F |r,t:1|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])cc(F)c1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,c:6|
COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N |r,c:26|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)cc(F)c1F |r,c:6|
COc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N |r,c:27|
COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(Cl)c1 |r,c:24|
Cc1cc(Cl)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C(F)F |r,c:26|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)cc(F)c1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2nccc3cc(cnc23)C#N)cc(F)c1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)cc(F)c1F |r,c:6|
COc1cnc2c(Nc3cc(F)c(F)c(c3)[C@]3(C)C[C@H](OC(N)=N3)C(F)(F)F)nccc2n1 |r,c:23|
COc1cnc2c(Nc3cc(F)c(F)c(c3)[C@]3(C)C[C@H](OC(N)=N3)C(F)(F)F)nccc2c1 |r,c:23|
COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(C)n1 |r,c:24|
Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:30|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)cc(F)c1F |r,c:6|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=S)c2ccc(Cl)cn2)ccc1F |r,t:1|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cnc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,c:6|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1ccc(cn1)C#N |r,t:1|
CNC(=O)c1ccc(nc1)C#Cc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:28|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1ccc(OC(F)F)cn1 |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1ccc(OC2CCC2)cn1 |r,t:1|
CNC(=O)c1ccnc(c1)C#Cc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:28|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1cccc2[nH]ccc12 |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1ccc2[nH]ccc2c1 |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1ccc2cc[nH]c2c1 |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)C#Cc1cccc2cc[nH]c12 |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(cc(Cl)n2)-c2ccccc2)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2F)C#N)cc(F)c1F |r,t:1|
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2F)cc(F)c1F |r,t:1|
Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F)C#N |r,c:27|
COc1cccnc1Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:25|
Cc1cc(NC(=O)c2ncc(cc2C)C(F)F)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:30|
COc1cnc(C(=O)Nc2cc(C)c(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c(C)n1 |r,c:25|
Cc1cc(NC(=O)c2cnc(OCC#C)cn2)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:30|
Cc1cc(NC(=O)c2ncc(cc2C)C#N)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:29|
Cc1cc(NC(=O)c2ncc(OCC(F)(F)F)cc2C)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:33|
Cc1cc(NC(=O)c2ccc(cn2)C(F)F)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:29|
COc1cc(Cl)cnc1C(=O)Nc1cc(C)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:29|
Cc1cc(NC(=O)c2ccc(F)cn2)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
Cc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
Cc1cc(NC(=O)c2ccc(cn2)C#N)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:28|
COc1cnc(C(=O)Nc2cc(C)c(F)c(c2)[C@]2(CF)C[C@H](OC(N)=N2)C(F)(F)F)c(C)c1 |r,c:25|
COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(C)c1 |r,c:24|
COc1cnc(cn1)C(=O)Nc1cc(C)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:28|
Cc1cc(NC(=O)c2ncc(OC(F)F)cc2C)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:31|
COc1ccc(nc1)C(=O)Nc1cc(C)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:28|
Cc1cc(Nc2ncnc3cc(Cl)cnc23)cc(c1F)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:30|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2F)cc(F)c1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)cc(F)c1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)cc(Cl)c1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)cc(F)c1F |r,c:6|
CC#CCOc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(C)c1 |r,c:27|
CC#CCOc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:30|
Cc1cc(OCC2CC2)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:32|
Cc1cc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:32|
COc1cc(Cl)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:28|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(F)c1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)cc(F)c1F |r,c:6|
Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:32|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C(F)F)cc(F)c1F |r,c:6|
COCc1cc(Cl)cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:29|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C(F)F)cc(F)c1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cc(Cl)c1F |r,c:6|
COc1cnc(cn1)C(=O)Nc1cc(Cl)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
COc1ccc(nc1)C(=O)Nc1cc(Cl)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
Cc1cc(cnc1C(=O)Nc1cc(Cl)c(F)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F)C#N |r,c:26|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(cn2)C(F)F)cc(Cl)c1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(Cl)c1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Br)cn2)cc(Cl)c1F |r,c:6|
COc1cnc(C(=O)Nc2cc(Cl)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(C)n1 |r,c:24|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(Cl)c1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1Cl |r,c:6|
COc1cnc(cn1)C(=O)Nc1cc(F)c(Cl)c(c1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:27|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1Cl |r,c:6|
COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)C[C@H](OC(N)=N2)C(F)(F)F)c(F)c1 |r,c:24|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Br)cc2F)cc(F)c1F |r,c:6|
CC(C)(C)OC(=O)N(C(=O)c1ccccc1)C1=N[C@@](C)(C[C@H](O1)C(F)(F)F)c1cc(Br)cnc1F |r,t:17|
CCCCOC(=O)C[C@](C)(N[S@](=O)C(C)(C)C)c1cc(Br)ccc1F |r|
CC(C)(C)OC(=O)N(C(=O)c1ccccc1)C1=N[C@@](C)(C[C@H](O1)C(F)(F)F)c1nc(Br)ccc1F |r,t:17|
CC1OB(OC1(C)C)c1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(NC(=O)c2ccccc2)=N1)C(F)(F)F |r,c:33|
NC1=N[C@@](CO)(C[C@H](O1)C(F)(F)F)c1cc(Oc2cc(Br)ccn2)ccc1F |r,t:1|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F)C#N |r,c:26|
CN(C)\N=C(\C[C@](CF)(N[S@](=O)C(C)(C)C)c1cccc(F)c1F)C(F)(F)F |r|
CC[Si](CC)(CC)c1cc(Br)nc(c1F)[C@@](CC(=O)OC(C)(C)C)(N[S@](=O)C(C)(C)C)C(F)F |r|
FC(F)[C@@]1(C[C@H](OC(NC(=O)c2ccccc2)=N1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:17|
CC(C)(C)OC(=O)N(C(=O)c1ccccc1)C1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Br)cnc1F |r,t:17|
CN(C)\N=C(\C[C@](CF)(N[S@](=O)C(C)(C)C)c1cccc(Br)c1)C(F)(F)F |r|
FC[C@]1(C[C@H](OC(NC(=O)c2ccccc2)=N1)C(F)(F)F)c1nc(Br)ccc1F |r,c:16|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ncc(Br)cc21 |t:1|
NC1=NC2(CCO1)c1cc(NC(=O)c3cnc(O)cn3)ccc1Oc1ncc(Br)cc21 |t:1|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3ncc(Br)cc3C3(CCOC(N)=N3)c2c1 |c:30|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1c(F)nc(Cl)cc21 |t:1|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1Oc1c(F)nc(Cl)cc21 |t:1|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(Cl)cc3C3(CCOC(N)=N3)c2c1 |c:31|
CC#CCOc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(Cl)cc3C3(CCOC(N)=N3)c2c1 |c:34|
NC1=NC2(CCO1)c1cc(NC(=O)c3cnc(Cl)cn3)ccc1Oc1c(F)nc(Cl)cc21 |t:1|
COc1cc(F)c2Oc3ccc(NC(=O)c4ccc(Cl)cn4)cc3C3(CCSC(N)=N3)c2c1 |c:31|
COc1cc(F)c2Oc3ccc(NC(=O)c4cnc(OC)cn4)cc3C3(CCSC(N)=N3)c2c1 |c:32|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ncc(cc21)C1=CCOCC1 |t:1,35|
COc1cc(F)c2Oc3ccc(NC(=O)c4ccc(Cl)cn4)cc3C3(CCOC(N)=N3)c2c1 |c:31|
NC1=NC2(CCO1)c1cccnc1Oc1ccc(NC(=O)c3ccc(Cl)cn3)cc21 |t:1|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cc3F)ccc1Oc1ncc(Br)cc21 |t:1|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1c(F)nc(cc21)C1=CCCOC1 |t:1,36|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)C1=CCCOC1 |c:30,t:37|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1Oc1c(F)nc(cc21)C1=CCCOC1 |t:1,37|
COc1nc(cc2c1Oc1ccc(NC(=O)c3ccc(Cl)cn3)cc1C21CCOC(N)=N1)C1CC1 |c:34|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1c(F)nc(cc21)C1CC1 |t:1|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)C1CC1 |c:30|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ncc(cc21)C1=CCCOC1 |t:1,35|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(Cl)cc3C3(CCSC(N)=N3)c2c1 |c:31|
Cc1cccnc1Nc1ccc2Oc3c(F)nc(Cl)cc3[C@]3(CCOC(N)=N3)c2c1 |c:28|
CCOc1cccnc1Nc1ccc2Oc3c(F)cc(OC)cc3C3(CCSC(N)=N3)c2c1 |c:31|
COc1cc(F)c2Oc3ccc(Nc4ncccc4OCc4ccccc4)cc3C3(CCOC(N)=N3)c2c1 |c:37|
CCOc1cccnc1Nc1ccc2Oc3c(F)cc(OC)cc3C3(CCOC(N)=N3)c2c1 |c:31|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3cnc(cc3[C@]3(CCOC(N)=N3)c2c1)C1=CCCOC1 |r,c:29,t:36|
Cc1ccc(nc1)C(=O)Nc1ccc2Oc3cnc(cc3[C@]3(CCOC(N)=N3)c2c1)C1=CCCOC1 |r,c:28,t:35|
NC1=N[C@@]2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1c(F)nc(cc21)C1=CCOCC1 |r,t:1,36|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1Oc1c(F)nc(cc21)C1=CCOCC1 |t:1,37|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)C1=CCOCC1 |c:30,t:37|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)C1=CCCOC1 |c:30,t:37|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)C1=CCOCC1 |c:30,t:37|
NC1=NC2(CCS1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1c(F)nc(cc21)C1=CCCOC1 |t:1,36|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1Oc1c(F)nc(cc21)-c1cncc(F)c1 |t:1|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)-c1cncc(F)c1 |c:30|
NC1=NC2(CCO1)c1cc(NC(=O)c3cnc(Cl)cn3)ccc1Oc1c(F)nc(cc21)-c1cncc(F)c1 |t:1|
NC1=NC2(CCO1)c1cc(NC(=O)c3cnc(F)cn3)ccc1Oc1c(F)nc(cc21)-c1cccnc1 |t:1|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3cnc(cc3C3(CCOC(N)=N3)c2c1)C1=CCCOC1 |c:29,t:36|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1cnc(cc21)C1=CCCOC1 |t:1,35|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ncc(cc21)C1CC1 |t:1|
COc1cc(F)c2Oc3ccc(NC(=O)c4ccc(cn4)C#N)cc3C3(CCOC(N)=N3)c2c1 |c:32|
COc1cc(F)c2Oc3ccc(NC(=O)c4cnc(OC)cn4)cc3C3(CCOC(N)=N3)c2c1 |c:32|
COc1cc(F)c2Oc3ccc(NC(=O)c4ccc(Cl)cc4F)cc3C3(CCOC(N)=N3)c2c1 |c:32|
COc1ccc(C(=O)Nc2ccc3Oc4c(F)cc(OC)cc4C4(CCOC(N)=N4)c3c2)c(F)c1 |c:29|
COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3[C@]3(CCOC(N)=N3)c2c1)C1=CCOCC1 |c:30,t:37|
NC1=NC2(CCO1)c1cc(Cl)ncc1Oc1ccc(NC(=O)c3ccc(Cl)cn3)cc21 |t:1|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3cnc(cc3C3(CCOC(N)=N3)c2c1)C1CC1 |c:29|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1cnc(cc21)C1CC1 |t:1|
CC(C)(C)C#Cc1cc2c(Oc3ccc(NC(=O)c4ccc(Cl)cn4)cc3C22CCOC(N)=N2)cn1 |c:35|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1Oc1c(F)nc(cc21)C1=CCCOC1 |t:1,36|
COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)C1=CCCOC1 |c:30,t:37|
Cc1nc(cs1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)C1=CCCOC1 |c:28,t:35|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3cnc(cc3C3(CCOC(N)=N3)c2c1)C#CC(C)(C)C |c:29|
COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)-c1cncc(F)c1 |c:30|
Cc1nc(cs1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)-c1cncc(F)c1 |c:28|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1Oc1c(F)nc(cc21)-c1cncc(F)c1 |t:1|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ncc(cc21)-c1ccnc(F)c1 |t:1|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1 |t:1|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)-c1ccnc(F)c1 |c:30|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3cnc(cc3C3(CCOC(N)=N3)c2c1)-c1ccnc(F)c1 |c:29|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1cnc(cc21)-c1ccnc(F)c1 |t:1|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)cc(cc3C3(CCOC(N)=N3)c2c1)-c1ccnc(F)c1 |c:30|
COc1nc(cc2c1Oc1ccc(NC(=O)c3ccc(Cl)cn3)cc1C21CCOC(N)=N1)C1=CCOCC1 |c:34,t:37|
COc1nc(cc2c1Oc1ccc(NC(=O)c3ccc(F)cn3)cc1C21CCOC(N)=N1)C1=CCOCC1 |c:34,t:37|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1 |t:1|
COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)-c1ccnc(F)c1 |c:30|
Cc1nc(cs1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCOC(N)=N3)c2c1)-c1ccnc(F)c1 |c:28|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1 |t:1|
COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)C1=CCOCC1 |c:30,t:37|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)cc(cc3C3(CCOC(N)=N3)c2c1)C1CCOCC1 |c:30|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(F)cn3)ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1 |t:1|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3cnc(cc3C3(CCSC(N)=N3)c2c1)C1=CCOCC1 |c:29,t:36|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3cnc(cc3C3(CCSC(N)=N3)c2c1)C1=CCCOC1 |c:29,t:36|
COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)cc(O)cc3C3(CCSC(N)=N3)c2c1 |c:31|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)cc(cc3C3(CCOC(N)=N3)c2c1)C1=CCCOC1 |c:30,t:37|
COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)cc(cc3C3(CCSC(N)=N3)c2c1)N1CCOCC1 |c:30|
NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(cn3)C#N)ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1 |t:1|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)cc(O)cc3C3(CCSC(N)=N3)c2c1 |c:31|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)cc(cc3C3(CCSC(N)=N3)c2c1)N1CCOCC1 |c:30|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)cc(cc3C3(CCSC(N)=N3)c2c1)C1=CCOCC1 |c:30,t:37|
COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)C1=CCCOC1 |c:30,t:37|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)-c1cncc(F)c1 |c:30|
COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)-c1cncc(F)c1 |c:30|
COc1cnc(cn1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)-c1ccnc(F)c1 |c:30|
COc1ccc(nc1)C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)-c1ccnc(F)c1 |c:30|
NC1=NC2(CCS1)c1cc(NC(=O)c3ccc(F)cn3)ccc1Oc1c(F)nc(cc21)C1=CCOCC1 |t:1,36|
NC1=NC2(CCS1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1c(F)nc(cc21)C1=CCOCC1 |t:1,36|
NC1=NC2(CCS1)c1cc(NC(=O)c3ccc(F)cn3)ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1 |t:1|
NC1=NC2(CCS1)c1cc(NC(=O)c3ncc(Cl)cc3F)ccc1Oc1c(F)nc(cc21)C1=CCOCC1 |t:1,37|
Cc1cc(Br)cnc1C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)C1=CCOCC1 |c:30,t:37|
COc1cnc(C(=O)Nc2ccc3Oc4c(F)nc(cc4C4(CCSC(N)=N4)c3c2)C2=CCOCC2)c(C)c1 |c:27,t:34|
Cc1cc(Cl)cnc1C(=O)Nc1ccc2Oc3c(F)nc(cc3C3(CCSC(N)=N3)c2c1)C1=CCOCC1 |c:30,t:37|
NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C(F)(F)CC1 |r,t:1|
NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C(F)(F)CC1 |r,t:1|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21|
Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:19|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21|
NC1=N[C@](C(F)F)(c2cc(NC(=O)c3cnc(cn3)C(F)F)ccc2F)C(F)(F)CC1 |r,t:1|
NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C(F)(F)CC1 |r,t:1|
Cc1csc(n1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:19|
COc1cnc(nc1)C(=O)Oc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)CCC2(F)F)C(F)F)c(C)n1 |r,t:18|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F)C#N |r,t:20|
NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)C(F)(F)CC1 |r,t:1|
NC1=NC2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F |t:1|
NC1=N[C@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(COCC1)c1cc(Br)ccc1Oc1cnc(Cl)cc21 |r,t:1|
NC1=N[C@]2(COCC1)c1cc(Br)ccc1Oc1cnc(Cl)cc21 |r,t:1|
CC(C)(C)COc1cc(F)c2Oc3ccc(cc3C3(COCCC(N)=N3)c2c1)-c1cccnc1F |c:25|
CC(C)(C)COc1cc(F)c2Oc3ccc(cc3[C@@]3(COCCC(N)=N3)c2c1)-c1cccnc1F |r,c:25|
CC(C)(C)COc1cc(F)c2Oc3ccc(cc3[C@]3(COCCC(N)=N3)c2c1)-c1cccnc1F |r,c:25|
NC1=N[C@@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)-c1ccc(F)c(F)c1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(COCC1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)C1)-c1cccnc1F |r,t:1|
C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:9|
C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:9|
C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:9|
C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:9|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:22|
C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F |r,c:9|
Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:20|
C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nccs2)ccc1F |r,c:9|
Cn1cc(Br)nc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:21|
Cc1csc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:20|
C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r,c:9|
COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:22|
C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F |r,c:9|
C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)co2)ccc1F |r,c:9|
C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)cs2)ccc1F |r,c:9|
C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:9|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:22|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F)C#N |r,t:21|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(C)n1 |r,t:19|
Cc1nnc(o1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:20|
Cc1noc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:20|
Cn1cnc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:20|
C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F |r,c:9|
C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:9|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F |r,t:22|
COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F |r,t:22|
Cc1csc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F |r,t:20|
C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r,c:9|
C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F |r,c:9|
C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)co2)ccc1F |r,c:9|
C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)cs2)ccc1F |r,c:9|
C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:9|
C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:9|
Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F |r,t:20|
Cc1nc(no1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F |r,t:20|
C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nccs2)ccc1F |r,c:9|
Cn1cc(Br)nc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F |r,t:21|
Cc1cn(C)c(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F |r,t:21|
Cn1ccc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F |r,t:20|
Cc1cc(on1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F |r,t:20|
Cc1ccc(o1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F |r,t:20|
Cc1ncc(o1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F |r,t:20|
COc1ccc(cc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F |r,t:22|
C[C@@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F |r,c:9|
C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:9|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(F)c1 |r,t:19|
Cc1nc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(C)o1 |r,t:17|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@](C)(F)CC2(F)F)c(C)c1 |r,t:19|
Cc1cc(F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:22|
CCC(CN1C(=N)NC(C1=O)(c1ccccc1)c1ccccc1)c1ccccc1 |w:2.1|
COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(CC2CCOCC2)C1=O)c1ccc(OC)cc1
COc1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(OC)c1
COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)c1cccc(c1)-c1cccnc1
N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1cccc(c1)-c1cccnc1
CN1C(=N)NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1
COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C)C1=O)c1ccccc1
COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)c1ccccc1
COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccc1
COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C)C1=O)C1CC1
COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCCCC2)C1=O)C1CC1
COc1cccc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1
N=C1NC(C(=O)N1C1CCCCC1)(c1ccccc1)c1ccccc1
COc1ccc(cc1)C1(NC(=N)N(C2CC2)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(CC2CCCCC2)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(CC23CC4CC(CC(C4)C2)C3)C1=O)c1ccc(OC)cc1 |TLB:13:14:17:21.20.19,23:14:21:17.18.19,THB:23:18:21:14.22.15,22:14:17:21.20.19,22:20:17:14.23.15|
COc1ccc(cc1)C1(NC(=N)N(Cc2ncccc2C)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(Cc2ccccc2C#N)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(CC2CCN(C)CC2)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(C)=O)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)c2ccccc2)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(CC2CCN(CC2)C(=O)OC(C)(C)C)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(C2CCN(CC2)C(=O)CCN(C)C)C1=O)c1ccc(OC)cc1
COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1cccnc1
COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1
COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CCCCC1
COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccccn1
COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1cncnc1
COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1ccncc1
COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CCCC1
COc1ccc(cc1)C1(NC(=N)N(C2CCOCC2)C1=O)c1cnn(C)c1
COc1ccc(cc1)C1(NC(=N)N(C2CCCCC2)C1=O)C1CCCCC1
N=C1NC(C2CC2)(C(=O)N1C1CCOCC1)c1cccc(c1)-c1cccnc1
N=C1NC(C2CC2)(C(=O)N1C1CCOCC1)c1cccc(c1)-c1cncc(c1)C#N
Clc1cncc(c1)-c1cccc(c1)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1
COc1ccc(cc1-c1cccc(c1)C#N)C1(NC(=N)N(C2CCOCC2)C1=O)C1CC1
N=C1NC(C2CC2)(C(=O)N1C1CCCCC1)c1cccc(c1)-c1cccnc1
N=C1NC(C2CC2)(C(=O)N1C1CCCCC1)c1cccc(c1)-c1cncc(c1)C#N
N=C1NC(C2CCCCC2)(C(=O)N1C1CCOCC1)c1cccc(c1)-c1cccnc1
c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O
Oc1cccc(\C=C\C(=O)c2ccc(O)cc2O)c1
Oc1ccc(C(=O)\C=C\c2ccccc2O)c(O)c1
COc1ccccc1/C=C/C(=O)c2ccc(cc2O)O
Oc1ccc(C(=O)\C=C\c2ccccc2OCC=C)c(O)c1
Oc1ccc(C(=O)\C=C\c2ccccc2Cl)c(O)c1
Oc1ccc(C(=O)\C=C\c2ccccc2[N+]([O-])=O)c(O)c1
Oc1ccccc1\C=C\C(=O)c1ccccc1
Oc1ccccc1\C=C\C(=O)c1ccccc1O
Oc1cccc(c1)C(=O)\C=C\c1ccccc1O
Oc1ccc(cc1)C(=O)\C=C\c1ccccc1O
Oc1cccc(C(=O)\C=C\c2ccccc2O)c1O
Oc1ccc(O)c(c1)C(=O)\C=C\c1ccccc1O
Oc1ccccc1\C=C\C(=O)c1c(O)cccc1O
Oc1ccc(cc1O)C(=O)\C=C\c1ccccc1O
Oc1cc(O)cc(c1)C(=O)\C=C\c1ccccc1O
Oc1ccc(C(=O)\C=C\c2cccc(O)c2O)c(O)c1
Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)c(O)c1
Oc1ccc(C(=O)\C=C\c2cc(O)ccc2O)c(O)c1
Oc1ccc(C(=O)\C=C\c2c(O)cccc2O)c(O)c1
c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O
Oc1ccc(C(=O)\C=C\c2cc(O)cc(O)c2)c(O)c1
CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 |r|
Cn1ccc(n1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 |r|
Cc1cc(no1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 |r|
CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cn3ccsc3n2)ccc1F |r|
CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F |r|
Cc1cc(on1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 |r|
Cn1cc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(n1)C(F)(F)F |r|
CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r|
Cc1nc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(C)o1 |r|
COCC(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 |r|
CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)C(F)F)ccc1F |r|
CO[C@@H](C)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 |r|
CO[C@H](C)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 |r|
CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F |r|
CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(C)c1 |r|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(=N)N3)c(C)n1 |r|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@H]1S(=O)(=O)C(C)(C)C(=N)N2)C#N |r|
CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnsn2)ccc1F |r|
CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r|
CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F |r|
CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F |r|
CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F |r|
CC1(C)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
CC1(C)C(=N)N[C@]2(COC(CF)[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CC1(C)C(=N)N[C@]2(COC(CF)[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC(CF)[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12COC(CF)[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 |r|
C[C@@]1(C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F)c1ccc(F)cc1 |r|
C[C@]1(C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F)c1ccc(F)cc1 |r|
C[C@@H]1OC[C@@]2(NC(=N)C(C)(C)S(=O)(=O)[C@H]12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@H]1OC[C@@]2(NC(=N)C(C)(C)S(=O)(=O)[C@H]12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@@]1(C2CC2)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(C2CC2)C(=N)N[C@]2(COC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CCCO1)c1ccc(F)cc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1ccc(F)cc1F |t:1|
NC1=N[C@@]2(CO[C@@H](C[C@@H]2CS1)C1CC1)c1ccc(F)cc1F |t:1|
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)C1CC1)c1ccc(F)cc1F |c:4|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CCO1)c1ccc(F)cc1F |t:1|
COC[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)C1CC1)c1ccc(F)cc1F |c:6|
NC1=N[C@]2(CO[C@H](C[C@H]2[C@@H](CF)S1)C1CC1)c1ccc(F)cc1F |t:1|
NC1=N[C@@]2(CO[C@@H](C[C@@H]2[C@H](CF)S1)C1CC1)c1ccc(F)cc1F |t:1|
CC1(CC1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:11|
CC1(CC1)[C@@H]1C[C@@H]2CSC(N)=N[C@@]2(CO1)c1ccc(F)cc1F |c:11|
NC1=N[C@]2(CO[C@@H](CC3CC3)C[C@H]2CS1)c1ccc(F)cc1F |t:1|
NC1=N[C@@]2(CO[C@H](CC3CC3)C[C@@H]2CS1)c1ccc(F)cc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1c(F)cc(F)cc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1ccc(F)cc1 |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1cc(F)ccc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1c(F)cccc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1ccccc1F |t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)C1CC1)c1ccccc1 |t:1|
Cc1ccc(c(F)c1)[C@]12CO[C@H](C[C@H]1CSC(N)=N2)C1CC1 |c:19|
Cc1ccc(cc1F)[C@]12CO[C@H](C[C@H]1CSC(N)=N2)C1CC1 |c:19|
NC1=N[C@@]2(CO[C@@H](C[C@@H]2CS1)C1CC1)c1ccccc1F |t:1|
NC1=N[C@@]2(CO[C@@H](C[C@@H]2CS1)C1CC1)c1ccc(F)cc1 |t:1|
CC1(C)CCC(O1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:14|
C[C@@H]1C[C@H]1[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:11|
NC1=N[C@]2(CO[C@H](C[C@H]2CS1)[C@@H]1CCCO1)c1ccc(F)cc1F |t:1|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cncc(c1)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1cc[nH]n1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1ncco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1ncco1 |r|
CN1\C(N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1cccc(c1)-c1ncco1)=N/C(=O)OC(C)(C)C |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cncc(c1)-c1ncco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cncc(c1)-c1ncco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1cnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1cnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1ccno1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1ccno1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1nnc(C)o1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1nnc(C)o1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1nnc(o1)C1CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1nnc(o1)C1CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1cccc(c1)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cncc(c1)-c1cnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cncc(c1)-c1cnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1cncc(c1)-c1cnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(F)cc(c1)-c1cnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1cc(F)cc(c1)-c1cnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cc(F)cc(c1)-c1cnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1ncc(s1)-c1cccc(c1)-c1ncco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1ncc(s1)-c1cccc(c1)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(F)cc(c1)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cc(F)cc(c1)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1cc(F)cc(c1)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(ccc1F)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cc(ccc1F)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(F)c(c1)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccc(F)c(c1)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(-c2nnco2)c1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(-c2nnco2)c1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1nc(C)no1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1nc(C)no1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1nc(no1)C1CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1nc(no1)C1CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1noc(C)n1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1noc(C)n1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(cs1)-c1cc(F)cc(c1)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1noc(n1)C1CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1noc(n1)C1CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1ncon1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1ncon1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cccc(c1)-c1ncno1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccnc(c1)-c1nc(C)no1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-c1nc(C)no1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccnc(c1)-c1nc(no1)C1CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-c1nc(no1)C1CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-c1ccccc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-c1cncnc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-c1cnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cncc(c1)-c1nnc(o1)C1CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(ncc1F)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1cc(ncc1F)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-n1cccn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)N1CCS(=O)(=O)CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1ccccc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-n1nccn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(cc1)-c1cccnc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(cc1)-c1ccccn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(nc1)N1CCOCC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(cc1)-n1nccn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(n1)-n1ccnc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(cc1)-c1ncco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(cc1)-c1nccs1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc(cc1)-n1ccnn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-n1cnc(C)c1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-c1ccncc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-c1cccnc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-n1cc(C)cn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-n1ccnc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1ccnc(c1)-n1cccn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1cnc(nc1)C1CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(nc1)C1CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(nc1)-n1cccn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)C1CC(=O)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(nc1)-c1ccc(F)cc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-n1ccnn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-c1ccncc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)N1CCS(=O)(=O)CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-c1nccn1C |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(nc1)-n1cccn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-c1ncc(C)cn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-n1cccn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-c1ncco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-c1nccs1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(cc1)-n1nccn1 |r|
CN1CCN(CC1)c1ccc(cn1)-c1cccc2c(F)c(sc12)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(nc1)N1CCOCC1 |r|
CN1CCN(CC1)c1ccc(cc1)-c1cccc2c(F)c(sc12)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1ccc(nc1)C1CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1cnc(nc1)-n1cccn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-c1cc(n[nH]1)C(F)(F)F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-n1nccn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-c1ncco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)C1CC(=O)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-n1cccn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-c1ccn[nH]1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-n1ccnn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-c1nccn1C |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1)-c1nccs1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1ccoc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1cnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1ccoc1C |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1cocc1C |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1ccnn1C |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1cnn(C)c1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1cncs1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-c1cn[nH]c1 |r|
COc1cnn(c1)-c1ccc(c(F)c1)-c1nccc2c(Cl)c(sc12)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-n1cccn1 |r|
CCCc1cnn(c1)-c1ccc(c(F)c1)-c1nccc2c(Cl)c(sc12)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CCc1cnn(c1)-c1ccc(c(F)c1)-c1nccc2c(Cl)c(sc12)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)-c1ccc(cc1F)-n1cc(C)cn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)N1CCN(CC1)c1nonc1C |r|
COc1ccnc(c1)N1CCN(CC1)c1nccc2c(Cl)c(sc12)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(nccc2c1Cl)N1CCC(CC1)c1nc(C)ns1 |r|
CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r|
CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F |r|
CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F |r|
CN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)COC)ccc1F |r|
CN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)COC)ccc1F |r|
CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CCN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(C[S@]1(O)NCC1CC1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(C[S@@]1(O)NCC1CC1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CN=S1(=O)C[C@](C)(NC(=N)[C@@]1(C)c1ccc(F)cc1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(C[S@@]1(O)NCCF)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(C[S@]1(O)NCCF)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
COCCN[S@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
COCCN[S@@]1(O)C[C@](C)(NC(=N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1ccccc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ncc([nH]1)-c1ccccc1 |r|
CN1\C(N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ncc([nH]1)-c1ccccn1)=N/C(=O)OC(C)(C)C |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1[nH]cnc1-c1ccccc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cn(nn1)-c1ccccc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)C1=NCCO1 |r,t:25|
CC1CN=C(O1)c1ccc([nH]1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r,c:3|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnc(C)o1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1ccc([nH]1)-c1nnc(o1)C1CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1ccc([nH]1)-c1nnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(on1)-c1ccccc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1cc(on1)-c1ccccc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc(no1)-c1ccccc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(Cl)cc1 |r|
COc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C(F)(F)F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccccc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccccn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)cc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C#N |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ccccc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ccc(Cl)cc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnccn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccncc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cccnc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cc2ccccn2n1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cccc(c1)C#N |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1nccs1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cncs1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cccc2ccnn12 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnn2ccccc12 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ncccn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cscn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)C1Cc2ccccc2C1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cncnc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ncco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cocn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccncn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccon1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1cnn(C)c1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccn(C)n1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccnn1C |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)C1CC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1nccs1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cncs1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cscn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)C1Cc2ccccc2C1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ncco1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1cocn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-c1nnc(o1)-c1ccon1 |r|
CC(C)c1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(Cl)cc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2[nH]cnc2c1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)c(F)c1 |r|
CC(C)Oc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CCCCOc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CCCOc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(OCc2ccccc2)cc1 |r|
CCCCCOc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(c(F)c1)C(F)(F)F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C1(COC1)C#N |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C1CCC(F)(F)C1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)N1CCCCC1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)N1CCCC1=O |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-n1cnnn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-n1cccn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2sc(C)nc2c1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2scnc2c1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc2CCC(=O)c2c1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cn1)C(F)(F)F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-c1ccon1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(OC(F)(F)F)cc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(OC(F)F)cc1 |r|
COC(=O)Cc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1cnn(c1)-c1ccccc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1coc(n1)-c1ccc(F)cc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc2c(cccc2c1F)-c1cnc(o1)-c1ccc(F)cc1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cnn(c1)-c1ccccc1 |r|
CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CN[S@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r|
CN[S@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r|
CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)COC)ccc1F |r|
CN[S@@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CN[S@]1(O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CCN=S1(=O)C[C@](C)(NC(=N)N1C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CCN1C(=N)N[C@@](C)(CS1(=O)=NC)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(Cl)cn2)ccc1F |r|
COc1ccc(nc1)C(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
COCC(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)C(F)F)ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(cn2)C(F)(F)F)ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(F)cn2)ccc1F |r|
COc1cnc(cn1)C(=S)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CO\N=C(\Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1)c1ccc(Cl)cn1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=N)c2ccc(Br)cn2)ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(Cl)cn2)cc(F)c1F |r|
COc1ccc(nc1)C(=S)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
COCC(=S)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)C(F)F)cc(F)c1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(F)cn2)cc(F)c1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(cn2)C(F)(F)F)cc(F)c1F |r|
COc1cnc(cn1)C(=S)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C)C2)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C)C2)C(=N)N1 |r|
CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)cn2)ccc1F |r|
CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r|
CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F |r|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CN(C)C3)C(=N)N2)c(C)c1 |r|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CN(C)C3)C(=N)N2)c(C)n1 |r|
CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r|
CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C)C2)C(=N)N1 |r|
CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C2CC2)C#N)ccc1F |r|
CN1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C(F)F)C#N)ccc1F |r|
CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1 |r|
CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)(F)F)cn2)ccc1F |r|
CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r|
CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F |r|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CCN(C)CC3)C(=N)N2)c(C)c1 |r|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C3(CCN(C)CO3)C(=N)N2)c(C)n1 |r|
CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r|
CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1 |r|
CN1CCC2(CC1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)C(F)F)ccc1F |r|
COCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCN(C)CC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C2(CNC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CNC2)C(=N)N1 |r|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CNC2)C(=N)N1)C#N |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C2)C(C)=O)C(=N)N1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C2)S(C)(=O)=O)C(=N)N1 |r|
CNC(=O)N1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(Cc3ccccc3)C2)C(=N)N1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CN(C2)c2ccc(cc2)[N+]([O-])=O)C(=N)N1 |r|
COC(C)(C)C1CCCCN1C(=O)[C@@H]1CNCC11CCCc2ccccc12 |r|
Cc1cccc(c1)C1CC(CCN1C(=O)[C@@H]1CNC[C@]11CCCc2nc(Cl)ccc12)c1ccccc1 |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(Cc3ccccc3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCNC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)S(C)(=O)=O)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(C)=O)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(=O)C2CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(=O)CC2CC2)S1(=O)=O |r|
CC(C)CC(=O)N1CCC2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cscn2)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CC2CCOC2)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2ccccn2)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cccnc2)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CC2CC2)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(CCC(F)(F)F)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cnco2)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cncnc2)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cnn(C)c2)C1 |r|
COC1CC(CN2CC[C@@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(OC)cn3)ccc2F)C1 |r,wD:11.12,9.9,(11.25,-2.59,;9.92,-1.82,;8.58,-2.59,;8.19,-4.08,;6.7,-3.68,;5.36,-4.45,;4.03,-3.68,;2.57,-4.15,;1.66,-2.91,;2.57,-1.66,;4.03,-2.14,;1.23,-.89,;.83,-2.38,;1.23,.65,;2.57,1.42,;2.57,2.96,;3.9,.65,;5.23,1.42,;3.9,-.89,;5.23,-1.66,;5.23,-.12,;-.26,-1.29,;-1.34,-.2,;-2.83,-.6,;-3.92,.49,;-5.41,.09,;-5.81,-1.4,;-6.5,1.18,;-6.1,2.67,;-7.19,3.76,;-8.67,3.36,;-9.76,4.45,;-11.25,4.05,;-9.07,1.87,;-7.98,.78,;-3.23,-2.09,;-2.14,-3.18,;-.65,-2.78,;.44,-3.87,;7.1,-2.19,)|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cocn2)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cscn2)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(CC2CCOC2)C1 |r|
COC1CC(CN2CC[C@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(OC)cn3)ccc2F)C1 |r,wU:9.9,wD:11.12,(11.25,-2.59,;9.92,-1.82,;8.58,-2.59,;8.19,-4.08,;6.7,-3.68,;5.36,-4.45,;4.03,-3.68,;2.57,-4.15,;1.66,-2.91,;2.57,-1.66,;4.03,-2.14,;1.23,-.89,;.83,-2.38,;1.23,.65,;2.57,1.42,;2.57,2.96,;3.9,.65,;5.23,1.42,;3.9,-.89,;5.23,-1.66,;5.23,-.12,;-.26,-1.29,;-1.34,-.2,;-2.83,-.6,;-3.92,.49,;-5.41,.09,;-5.81,-1.4,;-6.5,1.18,;-6.1,2.67,;-7.19,3.76,;-8.67,3.36,;-9.76,4.45,;-11.25,4.05,;-9.07,1.87,;-7.98,.78,;-3.23,-2.09,;-2.14,-3.18,;-.65,-2.78,;.44,-3.87,;7.1,-2.19,)|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2ccccn2)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cccnc2)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(CC2CC2)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(CCC(F)(F)F)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cncnc2)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cnn(C)c2)C1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(Cc2cnco2)C1 |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3ccncc3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cnco3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CC3CC3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CC3CCOC3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cscn3)C2)S1(=O)=O |r|
COC1CC(CN2CC[C@@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C1 |r,wD:11.12,9.9,(11.01,-1.84,;9.68,-1.07,;8.34,-1.84,;7.95,-3.33,;6.46,-2.93,;5.12,-3.7,;3.79,-2.93,;2.33,-3.41,;1.42,-2.16,;2.33,-.92,;3.79,-1.39,;.99,-.15,;.59,-1.63,;.99,1.39,;2.33,2.16,;2.33,3.7,;3.66,1.39,;4.99,2.16,;3.66,-.15,;4.99,-.92,;4.99,.62,;-.34,-.92,;-1.68,-.15,;-3.01,-.92,;-4.34,-.15,;-5.68,-.92,;-5.68,-2.46,;-7.01,-.15,;-7.01,1.39,;-8.34,2.16,;-9.68,1.39,;-11.01,2.16,;-9.68,-.15,;-8.34,-.92,;-3.01,-2.46,;-1.68,-3.23,;-.34,-2.46,;.99,-3.23,;6.86,-1.45,)|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cccnc3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(CCC(F)(F)F)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cocn3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cncnc3)C2)S1(=O)=O |r|
CCCCN1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3cnn(C)c3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3ccccn3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cscn3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(CC3CCOC3)C2)S1(=O)=O |r|
COC1CC(CN2CC[C@]3(C2)[C@](C)(NC(=N)N(C)S3(=O)=O)c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C1 |r,wU:9.9,wD:11.12,(11.01,-1.84,;9.68,-1.07,;8.34,-1.84,;7.95,-3.33,;6.46,-2.93,;5.12,-3.7,;3.79,-2.93,;2.33,-3.41,;1.42,-2.16,;2.33,-.92,;3.79,-1.39,;.99,-.15,;.22,-1.48,;.99,1.39,;2.33,2.16,;2.33,3.7,;3.66,1.39,;4.99,2.16,;3.66,-.15,;4.99,-.92,;4.99,.62,;-.34,-.92,;-1.68,-.15,;-3.01,-.92,;-4.34,-.15,;-5.68,-.92,;-5.68,-2.46,;-7.01,-.15,;-7.01,1.39,;-8.34,2.16,;-9.68,1.39,;-11.01,2.16,;-9.68,-.15,;-8.34,-.92,;-3.01,-2.46,;-1.68,-3.23,;-.34,-2.46,;.99,-3.23,;6.86,-1.45,)|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3ccccn3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cccnc3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(CC3CC3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(CCC(F)(F)F)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cocn3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cncnc3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cnn(C)c3)C2)S1(=O)=O |r|
CCCCN1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3ccncc3)C2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(Cc3cnco3)C2)S1(=O)=O |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(C)(=O)=O |r|
CCS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)CC(C)C |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1ccc(F)cc1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1ccccc1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)C1CC1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1cn(C)cn1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)CC1CCCO1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1ccccc1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)C1CC1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1cn(C)cn1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)CC1CCCO1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1cn[nH]c1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(C)(=O)=O |r|
CCS(=O)(=O)N1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)CC(C)C |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)c1ccc(F)cc1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@]11CCN(C1)S(=O)(=O)CC(F)(F)F |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2ccc(F)cc2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)CC(F)(F)F)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(C)(=O)=O)S1(=O)=O |r|
CCS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CC(C)CS(=O)(=O)N1CC[C@@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2ccccc2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)C2CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)Cc2cccnc2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2cn(C)cn2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)CC2CCCO2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)c2cn[nH]c2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(C2)S(=O)(=O)C2CCCC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)C2CCCC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)CC2CCCO2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2cn[nH]c2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(C)(=O)=O)S1(=O)=O |r|
CCS(=O)(=O)N1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CC(C)CS(=O)(=O)N1CC[C@]2(C1)[C@](C)(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2ccccc2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)C2CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)Cc2cccnc2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2cn(C)cn2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@@]2(CCN(C2)S(=O)(=O)c2ccc(F)cc2)S1(=O)=O |r|
COCC(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(Cc2ccccc2)S(=O)(=O)[C@@]11CCN(Cc2ccccc2)C1 |r|
COCC(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCNC1 |r|
CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(CCOCC2)OC(N)=N1 |c:28|
CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(CCC2)OC(N)=N1 |c:26|
CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CC2(CCOCC2)OC(N)=N1 |r,c:28|
CC#Cc1cncc(c1)-c1csc(c1)[C@@]1(C)CC2(CCOCC2)OC(N)=N1 |r,c:28|
CC1(CC2(CCOCC2)OC(N)=N1)c1cc(ccc1F)-c1cncnc1 |c:12|
CCCn1cc(cn1)-c1ccc(F)c(c1)C1(C)CC2(CCOCC2)OC(N)=N1 |c:29|
CC#Cc1cncc(c1)-c1cc(sc1C)[C@]1(C)CC2(CCOCC2)OC(N)=N1 |r,c:29|
CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(CCC(F)(F)CC2)OC(N)=N1 |c:30|
CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CC2(CCC(F)(F)CC2)OC(N)=N1 |r,c:30|
CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@]1(C)CC2(CCC2)OC(N)=N1 |r,c:28|
CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(COC2)OC(N)=N1 |c:26|
CC#Cc1cncc(c1)-c1csc(c1)C1(C)CC2(CCOCC2)SC(N)=N1 |c:28|
CC#Cc1cncc(c1)-c1csc(c1)C1(C)N=C(N)OC2(CCOCC2)C1(F)F |t:18|
CC1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |c:12|
CC1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |c:12|
C[C@]1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:12|
C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:14|
C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:14|
CC1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |c:10|
C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10|
C[C@@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10|
C[C@]1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:12|
C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:10|
C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r,c:10|
C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r,c:14|
C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r,c:14|
C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)C2CC2)ccc1F |r,c:14|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC2(CCC2)OC(N)=N1 |r,c:30|
C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,c:14|
C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C2CC2)ccc1F |r,c:14|
Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC2(CCC2)OC(N)=N1 |r,c:28|
CC1(CC2(CCOCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |c:12|
COc1cc(Cl)ccc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC2(CCC2)OC(N)=N1 |r,c:31|
C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F |r,c:10|
CC1(CC2(CCCCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |c:12|
C[C@@]1(CC2(CCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10|
C[C@]1(CC2(CCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10|
C[C@]1(CC2(CCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:10|
C[C@]1(CC2(COC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10|
CC1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |c:12|
C[C@]1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:12|
C[C@@]1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:12|
CC1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |c:12|
C[C@]1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:12|
C[C@]1(CC2(CC2)OC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:9|
CC1(N=C(N)OC2(CCOCC2)C1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |t:2|
C[C@]1(N=C(N)OC2(CCOCC2)C1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC2(CCOCC2)C1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:2|
CC1(N=C(N)OC2(CCOCC2)C1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |t:2|
CC1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |t:2|
CC1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |t:2|
CC1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
C[C@]1(N=C(N)OC2(CCC2)C1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)C1(C)N=C(N)OC2(CCC2)C1(F)F |t:22|
Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)C1(C)N=C(N)OC2(CCC2)C1(F)F |t:20|
C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(NCc2ccc(F)cn2)ccc1F |r,c:10|
C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(\C=C\c2ccc(F)cc2)ccc1F |r,c:10|
C[C@]1(CC2(CCC(F)(F)CC2)OC(N)=N1)c1cc(\C=C\c2ccc(F)cc2)ccc1F |r,c:14|
C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(\C=C\c2ccc(Cl)cc2)ccc1F |r,c:10|
COc1cccnc1Nc1ccc(F)c(c1)[C@]1(C)CC2(CCOCC2)SC(N)=N1 |r,c:30|
C[C@@]1(CC2(CCOCC2)SC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:12|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC2(CCOCC2)SC(N)=N1 |r,c:32|
C[C@]1(CC2(CCC2)OC(N)=N1)c1cc(Nc2ncnc3cc(Cl)ccc23)ccc1F |c:10|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)c(F)c1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cc2F)ccc1F |r|
Cc1nc(no1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Cc1noc(n1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Cc1nnc(o1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)cc(F)c1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r|
COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
COc1cnc(C(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)c(F)c1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2cnc(cn2)C(F)F)cc(F)c1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)cc(Cl)c1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(Cl)c1F |r|
COc1ccc(nc1)C(=O)Nc1cc(Cl)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)cc(Cl)c1F |r|
COc1cnc(cn1)C(=O)Nc1cc(Cl)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1c(F)ccc(NC(=O)c2ccc(F)cn2)c1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1F)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1F)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1c(F)c(F)cc(NC(=O)c2ccc(F)cn2)c1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)c(F)cc(NC(=O)c2ccc(Cl)cn2)c1F |r|
COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1F)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1c(F)c(F)cc(NC(=O)c2ccc(cn2)C(F)(F)F)c1F |r|
COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1F)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC1(COC1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)CC(F)(F)F)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)C2(CC2)C#N)ccc1F |r|
CC(F)(F)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC1(CC1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)[C@H]2CCCO2)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)C2CC2)ccc1F |r|
CC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Cc1noc(CC(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)n1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2cocn2)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)C2CCC2)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)CC2CC2)ccc1F |r|
CCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
COCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)C(F)F)ccc1F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)C2CCOCC2)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)C2CCC2(F)F)ccc1F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccno2)ccc1F |r|
CC1(CC1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ncc(F)cc2F)cc(F)c1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)CC(F)(F)F)cc(F)c1F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)C(F)F)cc(F)c1F |r|
CCC(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)cc(F)c1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)cc(F)c1F |r|
Cc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cc2)cc(F)c1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)C2(CC2)C#N)cc(F)c1F |r|
COCC(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC(F)(F)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)[C@H]2CCCO2)cc(F)c1F |r|
CC(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Cc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC1(COC1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Cc1noc(CC(=O)Nc2cc(F)c(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)n1 |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)C2CCC2(F)F)cc(F)c1F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2ccno2)cc(F)c1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)C2CCC2)cc(F)c1F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=O)c2cocn2)cc(F)c1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)CC2CC2)cc(F)c1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)Cc2ncccn2)cc(F)c1F |r|
COc1cnc(cn1)C(=O)Nc1cc(c(F)cc1Br)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(O)cn2)ccc1F |r|
CCC1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)C(C)(N)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc(NC(=O)c2ccc(F)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc(NC(=O)c2ccncn2)ccc1F |r|
COc1ccc(nn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(NC(=O)c2cnc(Br)cn2)ccc1F |r|
CC[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CC[C@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CC[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r|
CC[C@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r|
CC[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F |r|
CC[C@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(c1)C(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
COCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(c1)C(F)(F)F |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C2CC2)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C2CC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CC2CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CC2CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC2CCOCC2)C(=N)N1 |r|
COc1cccc2cc([nH]c12)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC2CCOCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1 |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(F)c1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(F)c1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(F)c1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(F)c1 |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(F)c1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccc(F)cc1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccc(F)cc1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1ccc(F)cc1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccc(F)cc1 |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CC2CC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(CC2CC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CC2CC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(CC2CC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC2CC2)C(=N)N1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(CC2CC2)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC2CC2)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(CC2CC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CC2CC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(CC2CC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC=C)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(CC=C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccc1F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(CC(F)(F)F)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(CC(F)(F)F)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(CC(F)(F)F)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C2CCOCC2)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C2CCOCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C2CCC2)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C2CCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
CC(C)[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CC(C)[C@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(C)C)C(=N)N1 |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(C)C)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(C)C)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(C)C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cc(ccn1)C(F)(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(=N)N1)c1cc(ccn1)C(F)(F)F |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(=N)N1)c1cc(ccn1)C(F)(F)F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(NC(=N)c2ncc(F)cc2F)ccc1F |r|
COc1cccc2cc([nH]c12)-c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(ccc1F)-c1cccc(c1)C#N |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc(ccc1F)-c1ccc(s1)C#N |r|
COc1cccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)n1 |r|
CCc1cccc(NC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)n1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)Nc1cccc(Cl)n1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)Nc1cccc(F)n1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)Nc1cccc(n1)C(F)(F)F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ncccc1Cl |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ncccn1 |r|
Cc1cccc(CNC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)n1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccc2cnccc2c1 |r|
Cc1ccc(CNC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)nn1 |r|
CC1=NOC(CNC(=O)c2cc(Cl)c(s2)[C@]2(C)CS(=O)(=O)C(C)(C)C(=N)N2)C1 |r,t:1|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cccc(c1)-c1ccon1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccccc1Cl |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cccc(F)c1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccc(F)cc1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccc(Cl)cc1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cccc(Cl)c1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccc(cc1)C#N |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCC1CCC1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ncc(F)cc1Cl |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccc(cn1)C(F)(F)F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cnoc1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cnsn1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cnn2ccccc12 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccncn1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1cc(Cl)ccn1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)C(=O)NCc1ccsn1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cncnc1 |r|
CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
COc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
COC(=O)c1ccc([nH]1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1ccc(F)c(c1)C(F)(F)F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1cnco1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1ccno1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)C(F)(F)F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cc2ccccc2s1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1csc2ccccc12 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(OC(F)(F)F)c1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cc(F)cc(F)c1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1ccc(F)c(c1)C#N |r|
COc1cc(ccn1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cncc(Cl)c1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cnn2CCCc12 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1ccn2ncnc2c1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(OC(F)F)c1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1ccc2nncn2c1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1ccc2ncnn2c1 |r|
COCCn1cc(cn1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cc(Cl)cc(c1)C#N |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1ccc(C#N)c(c1)C(F)(F)F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-n1nccn1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cnc(o1)-c1ccc(F)cc1 |r|
COc1cncc(n1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1coc(n1)-c1ccc(F)cc1 |r|
COc1ncc(cn1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cccc(C#N)c1F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cc(F)cc(c1)-c1cnco1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cc(F)cc(c1)-c1nnco1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)-c1cnco1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)-c1ncco1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(cs1)-c1cccc(c1)-c1nnco1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(cs1)-c1cccc(c1)-c1cnco1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(cs1)-c1cccc(c1)-c1ccno1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(cs1)-c1cncc(c1)-c1ncco1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(cs1)-c1cncc(c1)-c1cnco1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(cs1)-c1cc(F)cc(c1)-c1cnco1 |r|
COc1cccc2cc([nH]c12)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1cccc(c1)-c1ncon1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1cncc(c1)C#N |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1cccc(c1)C#N |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1cccc(c1)-c1nnco1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1cc(F)cc(c1)-c1nnco1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1cc(F)cc(c1)-c1cnco1 |r|
COc1cncc(n1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1ccnc(c1)C1CC1 |r|
Cc1noc(n1)-c1cccc(c1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Cc1nnc(o1)-c1ccc(F)c(c1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
Cc1nnc(o1)-c1cccc(c1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1cncc(c1)-c1nnco1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1nnc(o1)-c1ccccc1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(F)cc1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(Cl)cc1 |r|
COc1ccc(cc1)-c1nnc(o1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cc1)C#N |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1nnc(o1)-c1ccc(F)cc1 |r|
COc1ccc(cc1)-c1nnc(o1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1F)-c1nnc(o1)-c1ccc(cc1)C#N |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1cccc(c1)C#N |r|
C[C@]1(CS(=O)(=O)[C@](C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1cccc(c1)C#N |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1cccc(c1)-c1nnco1 |r|
C[C@]1(CS(=O)(=O)[C@](C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1cccc(c1)-c1nnco1 |r|
COc1cccc(c1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1 |r|
COc1cccc(c1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)[C@](C)(CC(F)(F)F)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1ccc(F)c(c1)C#N |r|
COc1cncc(c1)-c1cc(F)c(s1)[C@]1(C)CS(=O)(=O)C(C)(CC(F)(F)F)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1cccc(c1)C#N |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1cccc(c1)C#N |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1cccc(c1)-c1nnco1 |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1cccc(c1)-c1nnco1 |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1cncc(c1)C#N |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1cncc(c1)C#N |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1)c1sc(cc1F)-c1cccc(c1)C#N |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(F)c1)c1sc(cc1F)-c1cccc(c1)C#N |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccc1F)c1sc(cc1F)-c1cccc(c1)C#N |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccc1F)c1sc(cc1F)-c1cccc(c1)C#N |r|
COCC1(COC)C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)C#N |r|
COCC1(COC)C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 |r|
COCC1(COC)C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1cc2cccc(OC)c2[nH]1 |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CC2CCOCC2)C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N |r|
COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)[C@@](C)(CC2CCOCC2)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1 |r|
C[C@]1(CS(=O)(=O)[C@](C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1 |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1 |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1ccccn1)c1sc(cc1F)-c1nnc(o1)-c1ccc(Cl)cc1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cn2ccccc2n1 |r|
COc1cccn2cc(nc12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)-c1cn2ccsc2n1 |r|
COc1cccc2nc(cn12)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc2ccc(cc2s1)-c1ccccc1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc2ccc(cc2s1)-c1cccnc1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc2ccc(cc2s1)-c1ccc(F)cc1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1nc2ccc(cc2s1)-c1cccc(c1)C#N |r|
COc1cccc(c1)-c1ccc2nc(sc2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(Nc2cccc(Cl)c2F)ccc1F |r|
COc1ccccc1Nc1ccc(F)c(n1)[C@@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(Nc2noc3cc(F)cnc23)ccc1F |r|
COc1ccc(cc1)C#Cc1ccc(F)c(n1)C1(C)CS(=O)(=O)C(C)(C)C(=N)N1
Cc1nc2cc(C[C@]3(C)C(=N)N[C@@](C)(CS3(=O)=O)c3cc(F)ccc3F)ccc2o1 |r|
Cc1nc2cc(C[C@@]3(C)C(=N)N[C@@](C)(CS3(=O)=O)c3cc(F)ccc3F)ccc2o1 |r|
Cc1nc2ccc(C[C@]3(C)C(=N)N[C@@](C)(CS3(=O)=O)c3cc(F)ccc3F)cc2o1 |r|
Cc1nc2ccc(C[C@@]3(C)C(=N)N[C@@](C)(CS3(=O)=O)c3cc(F)ccc3F)cc2o1 |r|
COC[C@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(F)ccc1F |r|
COC[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(F)ccc1F |r|
COc1cccc(c1)[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(F)ccc1F |r|
COc1cccc(c1)[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1ccc(F)cc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(Br)c1)c1ccc(F)cc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(Br)c1)c1ccc(F)cc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(=N)N1)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1F |r|
COc1cccc(C[C@@]2(C)C(=N)N[C@@](C)(CS2(=O)=O)c2ccc(F)cc2F)c1 |r|
COc1cccc(C[C@]2(C)C(=N)N[C@@](C)(CS2(=O)=O)c2ccc(F)cc2F)c1 |r|
C[C@]1(CS(=O)(=O)[C@@](C)(Cc2cccc(Br)c2)C(=N)N1)c1ccc(F)cc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(Cc2cccc(Br)c2)C(=N)N1)c1ccc(F)cc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccc1)c1ccc(F)cc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(O)c1)c1ccc(F)cc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(OCc2ccccc2)c1)c1ccc(F)cc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(OCC2CC2)c1)c1ccc(F)cc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(O)c1)c1cc(F)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(OCc2ccccc2)c1)c1cc(F)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)N1Cc2cc(Br)ccc2C1=O |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(cc1Cl)N1Cc2cc(F)ccc2C1=O |r|
CC(=O)c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N)ccc1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cccc(Cl)c1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N)cc(Cl)c1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)cccc1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(N)c1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(F)c1F |r|
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(N)ccc1F |r|
CC(C)[C@@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N)ccc1F |r|
CC(C)[C@]1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1)c1cc(N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1)c1cc(N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CC2CC2)C(=N)N1)c1cc(N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CCOCC2)C(=N)N1)c1cc(N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CC2CCOCC2)C(=N)N1)c1cc(N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1)c1cc(N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(c1)C(F)(F)F)c1cc(ccc1F)[N+]([O-])=O |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(c1)C(F)(F)F)c1cc(N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cc(ccn1)C(F)(F)F)c1cc(N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1cc(N)ccc1F |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1sc(Br)cc1Cl |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1)c1sc(Br)cc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1ccccn1)c1sc(Br)cc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(=N)N1)c1cccc(F)c1)c1sc(Br)cc1F |r|
COCC1(COC)C(=N)N[C@@](C)(CS1(=O)=O)c1sc(Br)cc1Cl |r|
C[C@]1(CS(=O)(=O)C(C)(C)C(=N)N1)c1cc(Br)cs1 |r|
CC1(C)C[C@](C)(NC(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
CC12OC1[C@](CF)(NC(N)O2)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CC(C)(C)OC(N)N1)C(F)F)C#N |r|
NC1=CC(CCCO1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |t:1|
NC1=N[C@](CCO1)(C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
NC1=N[C@@](C#C)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:2|
CO[C@H]1[C@@H](CF)OC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:8|
COC[C@H]1OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6|
C[C@]1(CC2(COC2)OC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
NC1=N[C@@](C#C)([C@H]2COC[C@H]2O1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:1|
C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC2(COC2)[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
C[C@H]1OC(N)=N[C@@](CF)([C@H]1CF)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:4|
COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F |r|
COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)c(F)cc1F |r|
COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)c(F)cc1F |r|
COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(OC)ccn2)c(F)cc1F |r|
COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)c(F)cc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1ccc(F)cc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C(F)F)c1ccc(F)cc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1cc(C)no1)c1cc(F)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)c(F)cc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)c(F)cc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Br)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cc(ncn2)-n2cccn2)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cc(ccn2)C#N)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncccc2F)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnc(c2)-n2cncn2)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cncc(C)n2)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncc(F)cc2F)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnc(c2)C(F)F)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnc(C)n2)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CC2)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cccc(c2)C#N)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC23CC(C2)(C3)C#N)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cncc(c2)C#N)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(ccc1F)-c1cncnc1 |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cncc(n2)C(F)F)ccc1F |r|
COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(ccn2)C#N)ccc1F |r|
COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)ccc1F |r|
COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCC2CC2)ccc1F |r|
COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Br)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cccc(n2)-n2cccn2)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cccc(c2)-c2cocn2)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncc(F)cc2F)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC23CC(C2)(C3)C#N)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(ccc1F)C#N |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cnccn2)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccncc2)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ccnnc2)ccc1F |r|
COc1cncc(Oc2ccc(F)c(c2)[C@]23CO[C@H](C[C@H]2C(=O)N(C)C(=N)N3)C2CC2)n1 |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncccn2)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CCC2)ccc1F |r|
CC(C)COc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1C(=O)N(C)C(=N)N2)C1CC1 |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC(F)F)ccc1F |r|
COC[C@@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F |r|
COC(=O)[C@@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1ccc(F)cc1F |r|
CCCOc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1C(=O)N(C)C(=N)N2)C1CC1 |r|
COCCOc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1C(=O)N(C)C(=N)N2)C1CC1 |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CC(F)(F)C2)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC2CC2(F)F)ccc1F |r|
COC1CC(COc2ccc(F)c(c2)[C@]23CO[C@H](C[C@H]2C(=O)N(C)C(=N)N3)C2CC2)C1 |r,wU:14.14,wD:19.19,17.29,(-7.86,6.38,;-6.32,6.38,;-5.55,5.05,;-4.06,4.65,;-4.46,3.16,;-3.69,1.83,;-2.15,1.83,;-1.38,.49,;-2.15,-.84,;-1.38,-2.17,;.16,-2.17,;.93,-3.51,;.93,-.84,;.16,.49,;2.47,-.84,;1.7,-2.17,;2.47,-3.51,;4.01,-3.51,;4.78,-2.17,;4.01,-.84,;4.78,.49,;6.32,.49,;4.01,1.83,;4.78,3.16,;2.47,1.83,;1.7,3.16,;1.7,.49,;4.78,-4.84,;4.78,-6.38,;6.11,-5.61,;-5.95,3.56,)|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC23CC(C2)C3)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OCC(F)(F)F)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2cc(ccn2)-n2cccn2)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(OC2CC(F)(F)C2)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](CC2C1=O)C1CC1)c1cc(Oc2ncncc2F)ccc1F |r|
COC[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(F)cnc2F)c(F)cc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C1CC1)c1cc(Oc2ncc(C)cc2F)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)C(F)F)c1cc(Oc2ncc(F)cc2F)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(O)ccc1F |r|
COc1cncc(Oc2ccc(F)c(c2)[C@]23CO[C@@H](C)C[C@H]2C(=O)N(C)C(=N)N3)n1 |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cnccn2)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cncc(C)n2)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ccc(F)cn2)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncncc2F)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2nccnc2C)ccc1F |r|
COc1ccnc(Oc2ccc(F)c(c2)[C@]23CO[C@@H](C)C[C@H]2C(=O)N(C)C(=N)N3)c1 |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2Cl)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2C)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ccncc2F)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cnccc2Cl)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ccccn2)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc3ccccc3cn2)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cncc(F)c2)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(F)cnc2F)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cccnc2)ccc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2cc(F)ccc2F)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1ccc(F)cc1)c1cc(Br)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1ccc(F)cc1)c1cc(O)ccc1F |r|
CN1C(=N)N[C@]2(CO[C@H](C[C@H]2C1=O)c1ccc(F)cc1)c1cc(OCC2CC2)ccc1F |r|
CN1C(=N)N[C@]2(COCC[C@H]2C1=O)c1cc(Br)ccc1F |r|
CN1C(=N)N[C@]2(COCC[C@H]2C1=O)c1cc(Oc2ncccc2F)ccc1F |r|
CN1C(=N)N[C@]2(COCC[C@H]2C1=O)c1cc(OCC2CC2)ccc1F |r|
COc1cc(c(F)cn1)[C@]12CO[C@@H](C)C[C@H]1C(=O)N(C)C(=N)N2 |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(OCCC=C)ncc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(=O)n(CC2CC2)cc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(=O)n(CCC=C)cc1F |r|
C[C@H]1C[C@H]2C(=O)N(C)C(=N)N[C@]2(CO1)c1cc(Oc2ncccc2F)ncc1F |r|
COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CCC1(F)F)C(F)F |r,t:21|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)CC(N)=N1 |r,wD:18.20,c:28,(-8.77,1.54,;-7.44,2.31,;-6.1,1.54,;-4.77,2.31,;-3.44,1.54,;-3.44,,;-4.77,-.77,;-6.1,,;-2.1,-.77,;-2.1,-2.31,;-.77,,;.56,-.77,;.56,-2.31,;1.9,-3.08,;3.23,-2.31,;4.56,-3.08,;2.92,-.46,;2.36,.46,;4.56,,;5.9,-.77,;3.25,-.91,;1.87,-.02,;1.28,-1.67,;.27,.7,;1.78,1.62,;3.23,2.31,;1.9,3.08,;3.23,.77,)|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)CC(N)=N3)nccc2c1 |r,wD:15.16,c:24,(-8.77,1.54,;-7.44,2.31,;-6.1,1.54,;-4.77,2.31,;-3.44,1.54,;-3.44,,;-2.1,-.77,;-.77,,;.56,-.77,;.56,-2.31,;1.9,-3.08,;3.23,-2.31,;4.56,-3.08,;2.92,-.46,;2.36,.46,;4.56,,;5.9,-.77,;3.25,-.91,;1.87,-.02,;.28,.77,;1.49,-1.78,;1.78,1.62,;3.23,2.31,;1.9,3.08,;3.23,.77,;-2.1,-2.31,;-3.44,-3.08,;-4.77,-2.31,;-4.77,-.77,;-6.1,,)|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CSCC(N)=N1 |r,c:26|
C[C@]1(CS(=O)(=O)CC(N)=N1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F |r,wD:1.0,c:8,(5.9,-.77,;4.56,,;3.25,-.91,;1.87,-.02,;.28,.77,;1.49,-1.78,;1.78,1.62,;3.23,2.31,;1.9,3.08,;3.23,.77,;2.92,-.46,;2.36,.46,;.56,-.77,;-.77,,;-2.1,-.77,;-2.1,-2.31,;-3.44,-3.08,;-4.77,-2.31,;-4.77,-.77,;-6.1,,;-6.1,1.54,;-7.44,2.31,;-4.77,2.31,;-3.44,1.54,;-3.44,,;.56,-2.31,;1.9,-3.08,;3.23,-2.31,;4.56,-3.08,)|
Cc1nc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)CC(N)=N3)nccc2s1 |r,wD:13.14,c:22,(-6.75,3,;-5.98,1.67,;-4.45,1.51,;-4.13,,;-2.79,-.77,;-1.46,,;-.13,-.77,;-.13,-2.31,;1.21,-3.08,;2.54,-2.31,;3.88,-3.08,;2.23,-.46,;1.67,.46,;3.88,,;5.21,-.77,;2.56,-.92,;1.17,-.02,;.62,-1.46,;-.35,.22,;1.1,1.62,;2.54,2.31,;1.21,3.08,;2.54,.77,;-2.79,-2.31,;-4.13,-3.08,;-5.46,-2.31,;-5.46,-.77,;-6.61,.26,)|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F |r,c:4|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)nccc2c1 |r,c:26|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:4|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)nccc2n1 |r,c:26|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,c:4|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)C(N)=N1 |r,c:29|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(CS(=O)(=O)C(C)(C)C(N)=N1)C(F)(F)F |r,c:29|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(CS(=O)(=O)C(C)(C)C(N)=N3)C(F)(F)F)nccc2c1 |r,c:25|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)C1(CS(=O)(=O)C(C)(C)C(N)=N1)C(F)F |c:29|
COc1cnc2c(Nc3ccc(F)c(c3)C3(CS(=O)(=O)C(C)(C)C(N)=N3)C(F)F)nccc2c1 |c:25|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C4(CCCC4)C(N)=N3)nccc2c1 |r,c:29|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C4(CC4)C(N)=N3)nccc2c1 |r,c:27|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(F)C(N)=N3)nccc2c1 |r,c:26|
CC1(C)C(N)=N[C@](C)(CS1(=O)=O)c1cc(Nc2noc3cc(Cl)cnc23)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(F)c3cc(Cl)cnc23)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F |r,c:4|
CC1(C)C(N)=NC(C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |c:4|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CS(=O)(=O)C(C)(C)C(N)=N1)C(F)F |r,c:29|
COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(CS(=O)(=O)C(C)(C)C(N)=N3)C(F)F)nccc2c1 |r,c:25|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(F)c3cc(cnc23)[N+]#[C-])ccc1F |r,c:4|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(F)C(N)=N1 |r,c:30|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Sc2cccc3ccccc23)ccc1F |r,c:4|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(F)C(N)=N3)nccc2n1 |r,c:26|
C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,c:10|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)F)ccc1F |r,c:4|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)ncc(F)c2c1 |r,c:26|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)ncnc2c1 |r,c:26|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F |r,c:4|
COc1cc(F)c2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)ncnc2c1 |r,c:27|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2csc3cc(cnc23)C#N)ccc1F |r,c:4|
COc1cnc2c(Nc3cnc(F)c(c3)C3(C)CS(=O)(=O)C(C)(C)C(N)=N3)nccc2c1 |c:26|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)cccc2n1 |r,c:26|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)C1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 |c:31|
COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(C)N=C(N)C(C)(C)S(=O)(=O)[C@@H]3F)nccc2c1 |r,t:18|
COc1cnc2c(Nc3ccc(F)c(c3)C3(CF)CS(=O)(=O)C(C)(C)C(N)=N3)nccc2c1 |c:27|
Cc1nc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C(C)(C)C(N)=N3)nccc2s1 |r,c:24|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:30|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r,c:4|
Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:30|
CC#CCOc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:33|
Cc1nc(cs1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:28|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,c:4|
CC1(C)C(N)=N[C@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,c:4|
COc1cnc(cn1)C(=O)Nc1cc(c(F)cn1)C1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |c:30|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:30|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3nc(cnc23)C(F)(F)F)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3nc(O)cnc23)cc(F)c1F |r,c:4|
CC1(C)C(N)=N[C@](C)(CS1(=O)=O)c1cc(Nc2nccc3nc(O)cnc23)cc(F)c1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Oc2ccc(cc2)C#N)ccc1F |r,c:4|
COc1cc(C)ccc1Oc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:29|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Oc2cc(F)cc(c2)C(F)(F)F)ccc1F |r,c:4|
CCc1cccc(Oc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)c1 |r,c:26|
CCc1cc(Oc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)ccc1Cl |r,c:24|
COc1ccc(C)cc1Oc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:29|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Oc2ccc3ccccc3c2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Oc2ccccn2)ccc1F |r,c:4|
C[C@@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(Br)ncc1F |r,c:12|
C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(Br)ncc1F |r,c:12|
C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F |r,c:12|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)C4(CC(F)(F)C4)C(N)=N3)nccc2n1 |r,c:30|
C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)[N+]#[C-])ccc1F |r,c:12|
C[C@]1(CS(=O)(=O)C2(CC(O)C2)C(N)=N1)c1cc(Br)ccc1F |r,wU:1.0,c:13,(2.34,1,;1.16,.01,;.39,-1.32,;-1.15,-1.32,;-.88,-2.84,;-2.6,-1.85,;-1.92,.01,;-3.01,-1.08,;-4.1,.01,;-5.64,.01,;-3.01,1.1,;-1.15,1.34,;-1.92,2.68,;.39,1.34,;2.34,-.98,;3.79,-.45,;4.97,-1.44,;6.41,-.92,;4.7,-2.96,;3.25,-3.49,;2.07,-2.5,;.63,-3.02,)|
C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(Br)ccc1F |r,c:12|
C[C@]1(CS(=O)(=O)[C@@]2(C[C@H](F)C2)C(N)=N1)c1cc(Br)ccc1F |r,wU:1.0,6.6,wD:8.8,c:13,(2.34,1,;1.16,.01,;.39,-1.32,;-1.15,-1.32,;-.88,-2.84,;-2.6,-1.85,;-1.92,.01,;-3.01,-1.08,;-4.1,.01,;-5.64,.01,;-3.01,1.1,;-1.15,1.34,;-1.92,2.68,;.39,1.34,;2.34,-.98,;3.79,-.45,;4.97,-1.44,;6.41,-.92,;4.7,-2.96,;3.25,-3.49,;2.07,-2.5,;.63,-3.02,)|
COc1cnc(cn1)C(=O)Nc1cc(c(F)cn1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:30|
Cc1c(CNc2cc(c(F)cn2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)nc2ccc(Cl)cn12 |r,c:23|
CC(=C)c1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:32|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2C=C)ccc1F |r,c:4|
CCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:31|
CCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:32|
CC(C)c1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:33|
Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F |r,t:22|
Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@H]1F |r,t:22|
COc1cnc(cn1)C(=O)Nc1cc(c(F)cn1)[C@@]1(C)CS(=O)(=O)C2(CCC2)C(N)=N1 |r,c:32|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:33|
C[C@]1(CS(=O)(=O)C2(CC(F)(F)C2)C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:14|
C[C@]1(CS(=O)(=O)[C@@]2(C[C@H](F)C2)C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,wU:6.10,wD:1.0,8.8,c:13,(6,-2.63,;4.67,-1.86,;6,-1.09,;6,.45,;7.34,1.22,;7.34,-.32,;4.67,1.22,;3.58,2.31,;4.67,3.4,;4.67,4.94,;5.76,2.31,;3.33,.45,;2,1.22,;3.33,-1.09,;3.33,-2.63,;2,-1.86,;.67,-2.63,;-.67,-1.86,;-2,-2.63,;-2,-4.17,;-3.33,-1.86,;-4.67,-2.63,;-6,-1.86,;-6,-.32,;-7.34,.45,;-4.67,.45,;-3.33,-.32,;.67,-4.17,;2,-4.94,;3.33,-4.17,;4.67,-4.94,)|
Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC(F)(F)C2)C(N)=N1 |r,c:34|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CC(F)(F)C2)C(N)=N1 |r,c:37|
Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(N)=N1 |r,c:32|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:34|
Cc1cc(OCC2CCC2)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:37|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,c:4|
Cc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:29|
Cc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)c(C)n1 |r,c:26|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(N)=N1 |r,c:35|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(N)=N1)C#N |r,c:31|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C2(CCC2)C(N)=N1)C(F)F |r,c:31|
C[C@@]1(N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F |r,t:25|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F)C(F)F |r,t:21|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)N=C(N)C3(CCC3)S(=O)(=O)[C@@H]2F)c(C)c1 |r,t:19|
COc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F |r,t:23|
C[C@@]1(N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,t:2|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2c(Cl)sc3cc(cnc23)C#N)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)([C@@H](F)S1(=O)=O)c1cc(N)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)([C@@H](F)S1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NCc2nn(cc2Cl)C(F)F)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NCc2nn(CC(F)(F)F)cc2Cl)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NCc2c(Cl)cnn2CC(F)(F)F)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)C(=O)Nc1ccc(cc1O)C#N |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(OCC(F)F)cnc23)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2nncc3cc(Br)cnc23)ccc1F |r,c:4|
C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F |r,c:10|
C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F |r,c:10|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(F)C(N)=N3)ncnc2c1 |r,c:26|
C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncnc3cc(cnc23)C#N)ccc1F |r,c:10|
CC1(C)C(N)=N[C@]2(C[C@H]2S1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F |r,c:4|
Cc1c(CNc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)nc2ccc(Cl)cn12 |r,c:23|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)C(=O)Nc1ccc(Cl)cc1 |r,c:4|
C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cccc(Br)c1 |r,c:12|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(CF)CS(=O)(=O)C(C)(C)C(N)=N2)c(OC)n1 |r,c:28|
CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(Nc2ncc(F)c3cc(cnc23)[N+]#[C-])ccc1F |r,c:4|
Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:35|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(CF)CS(=O)(=O)C(C)(C)C(N)=N3)ncc(F)c2c1 |r,c:27|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Sc2ccccn2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(OCC4CC4)cnc23)ccc1F |r,c:4|
Cc1cc(OCCF)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:34|
Cc1cc(OC2COC2)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:36|
Cc1nc(F)c(cc1Br)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:20|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(C#C[Si](C)(C)C)c3cc(Cl)cnc23)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(Br)c3cc(Cl)cnc23)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(Cl)c3cc(Cl)cnc23)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(C#C)c3cc(Cl)cnc23)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncc(CO)c3cc(Cl)cnc23)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cc2F)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)N2CCC=CC2)ccc1F |r,c:4,22|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Br)c[nH]c1=O |r,c:4|
COc1ncc(NC(=O)c2ccc(Cl)cn2)cc1[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:30|
Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(c(=O)n(C)c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:34|
C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncc(F)c3cc(Cl)cnc23)ccc1F |r,c:10|
C[C@]1(CS(=O)(=O)[C@@](C)(F)C(N)=N1)c1cc(Nc2ncc(F)c3cc(cnc23)C#N)ccc1F |r,c:10|
C[C@]1(CS(=O)(=O)C2(CC2)C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:11|
CC(C)(C)S(=O)N[C@@](C)(CS(=O)(=O)C1(CC1)C#N)c1cc(Br)cnc1F |r|
C[C@]1(CS(=O)(=O)C2(CCOC2)C(N)=N1)c1cc(Br)ccc1F |r,c:13|
C[C@]1(CS(=O)(=O)C2(CCOC2)C(N)=N1)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F |r,c:13|
C[C@@]1(N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)C2(CC2)S(=O)(=O)[C@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F |r,t:25|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@H]1F |r,t:25|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@@H]1F)C(F)F |r,t:21|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)C2(CC2)S(=O)(=O)[C@H]1F)C(F)F |r,t:21|
COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(C)N=C(N)C4(CC4)S(=O)(=O)[C@@H]3F)nccc2n1 |r,t:18|
COc1cnc2c(Nc3ccc(F)c(c3)[C@@]3(C)N=C(N)C4(CC4)S(=O)(=O)[C@H]3F)nccc2n1 |r,t:18|
CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:4|
NC1=N[C@](CF)(CS(=O)(=O)C11CC1)c1cc(Br)ccc1F |r,t:1|
Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)CS(=O)(=O)C2(CC2)C(N)=N1 |r,c:32|
Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C2(CC2)C(N)=N1 |r,c:32|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C2(CC2)C(N)=N1 |r,c:35|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)CS(=O)(=O)C2(CC2)C(N)=N1 |r,c:35|
NC1=N[C@@](CF)(CS(=O)(=O)C11CCC1)c1cc(Br)ccc1F |r,t:1|
CC1(C)C(N)=N[C@](C)(c2cc(Br)ccc2F)C2(CC2)S1(=O)=O |r,c:4|
CO[C@H]1C[C@]2(C1)C(N)=N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2C)ccc1F |r,wU:9.10,wD:4.3,2.1,c:8,(-6.27,-5.48,;-5.5,-4.15,;-3.96,-4.15,;-2.87,-5.24,;-1.78,-4.15,;-2.87,-3.06,;-1.01,-2.82,;-1.78,-1.48,;.53,-2.82,;1.3,-4.15,;2.48,-5.14,;.53,-5.48,;-1.01,-5.48,;-.74,-7,;-2.45,-6.01,;2.48,-3.16,;2.21,-1.64,;3.39,-.65,;3.13,.86,;4.31,1.85,;5.75,1.32,;4.04,3.37,;5.22,4.36,;4.95,5.87,;3.5,6.4,;3.24,7.92,;2.32,5.41,;2.59,3.89,;1.41,2.91,;4.84,-1.18,;5.11,-2.7,;3.93,-3.69,;4.2,-5.2,)|
CO[C@H]1C[C@]2(C1)C(N)=N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ncc(OC)cc2C)ccc1F |r,wU:9.10,wD:4.3,2.1,c:8,(-5.99,-5.77,;-5.22,-4.43,;-3.68,-4.43,;-2.59,-5.52,;-1.5,-4.43,;-2.59,-3.35,;-.73,-3.1,;-1.5,-1.77,;.81,-3.1,;1.58,-4.43,;2.76,-5.42,;.81,-5.77,;-.73,-5.77,;-.46,-7.28,;-2.18,-6.29,;2.76,-3.44,;2.49,-1.93,;3.67,-.94,;3.41,.58,;4.59,1.57,;6.03,1.04,;4.32,3.09,;5.5,4.08,;5.23,5.59,;3.78,6.12,;3.52,7.64,;4.7,8.63,;2.6,5.13,;2.87,3.61,;1.69,2.62,;5.12,-1.46,;5.39,-2.98,;4.21,-3.97,;4.48,-5.49,)|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)[C@@]3(C[C@H](F)C3)C(N)=N2)c(C)c1 |r,wU:24.25,16.17,wD:22.27,c:30,(.1,7.93,;1.54,7.4,;1.81,5.89,;3.26,5.36,;3.53,3.84,;2.35,2.85,;2.61,1.34,;1.43,.35,;4.06,.81,;4.33,-.71,;5.78,-1.23,;6.04,-2.75,;4.86,-3.74,;5.13,-5.26,;3.42,-3.21,;3.15,-1.7,;2.24,-4.2,;3.42,-5.19,;1.47,-5.54,;-.07,-5.54,;.19,-7.05,;-1.52,-6.06,;-.84,-4.2,;-1.93,-3.11,;-3.02,-4.2,;-4.56,-4.2,;-1.93,-5.29,;-.07,-2.87,;-.84,-1.54,;1.47,-2.87,;.9,3.38,;-.28,2.39,;.63,4.9,)|
Cc1c(nc2ccc(Cl)cn12)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@]2(C[C@H](F)C2)C(N)=N1 |r,wU:29.32,21.24,wD:27.34,c:37,(4.88,-6.35,;5.35,-4.88,;4.45,-3.64,;5.35,-2.39,;6.82,-2.87,;8.15,-2.1,;9.48,-2.87,;9.48,-4.41,;10.82,-5.18,;8.15,-5.18,;6.82,-4.41,;2.91,-3.64,;2.14,-4.97,;2.14,-2.3,;.6,-2.3,;-.17,-3.64,;-1.71,-3.64,;-2.48,-2.3,;-4.02,-2.3,;-1.71,-.97,;-.17,-.97,;-2.48,.37,;-3.66,-.62,;-3.66,1.36,;-3.4,2.87,;-4.94,2.87,;-3.66,4.39,;-1.95,3.4,;-.69,4.28,;-1.57,5.54,;-1.3,7.06,;-2.83,4.66,;-.77,2.41,;.68,2.94,;-1.04,.89,)|
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C(F)(F)CC1 |r,t:1|
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C(F)(F)CC1 |r,t:1|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F |r,t:23|
NC1=N[C@](CF)(c2cc(NC(=O)c3ccn(n3)C(F)F)ccc2F)C(F)(F)CC1 |r,t:1|
NC1=N[C@](CF)(c2cc(NC(=O)c3coc(n3)C(F)F)ccc2F)C(F)(F)CC1 |r,t:1|
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C(F)(F)CC1 |r,t:1|
Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F |r,t:21|
COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F |r,t:23|
NC1=N[C@](CF)(c2cc(NC(=O)c3ncc(cn3)C(F)F)ccc2F)C(F)(F)CC1 |r,t:1|
Cc1nc(co1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F |r,t:22|
COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F |r,t:24|
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(F)cn3)cc(F)c2F)C(F)(F)CC1 |r,t:1|
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)cc(F)c2F)C(F)(F)CC1 |r,t:1|
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(cn3)C#N)cc(F)c2F)C(F)(F)CC1 |r,t:1|
COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F |r,t:24|
Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F)C#N |r,t:23|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)CCC1(F)F |r,t:23|
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Br)cn3)ccc2F)C(F)(F)CC1 |r,t:1|
C[C@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:8|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@@H]1F |r,t:22|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@@H]1F |r,t:22|
C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:8|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)C[C@@H]1F |r,t:22|
Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)C[C@@H]1F |r,t:20|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)C[C@@H]1F |r,t:22|
C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:8|
Cn1ccnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)C[C@@H]1F |r,t:20|
C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F |r,c:8|
Cc1csc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)C[C@@H]1F |r,t:20|
C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F |r,c:8|
C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F |r,c:8|
C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:8|
C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1F |r,c:8|
C[C@@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:8|
COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)C[C@@H]1F |r,t:23|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@@H]1F)C#N |r,t:21|
COc1ccc(nc1)C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@@H]1F |r,t:23|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)C[C@H]1F |r,t:22|
C[C@]1(F)C[C@H](F)[C@](C)(N=C1N)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,c:8|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Cl)cnc23)ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(Br)cnc23)ccc1F |r|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2c1 |r|
COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2c1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(cnc23)[N+]#[C-])ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2ncnc3cc(cnc23)[N+]#[C-])ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3cc(F)cnc23)ccc1F |r|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)nccc2n1 |r|
COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)ncnc2c1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1c(F)ccc(Nc2nccc3cc(cnc23)[N+]#[C-])c1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2nccc3nc(cnc23)C(F)F)ccc1F |r|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)ncnc2n1 |r|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(=N)N3)ncnc2c1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@@H]2CCc3ncc(Cl)cc23)ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@@H]2CCc3ncc(cc23)C(F)(F)F)ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@H]2CCc3cc(Cl)ccc23)ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@H]2CCc3cc(cnc23)[N+]#[C-])ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@@H]2CCc3cc(cnc23)[N+]#[C-])ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(N[C@H]2CCCc3cc(Br)cnc23)ccc1F |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(Nc2cccc3OC(F)(F)Oc23)ccc1F |r|
COc1ccccc1Nc1cccc(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cccc(Nc2ccccc2C#N)n1 |r|
COc1ccccc1Nc1cccc(n1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cccc(Nc2cccc3OC(F)(F)Oc23)n1 |r|
CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cccc(Nc2ncccc2C#N)n1 |r|
COc1cccnc1Nc1ccnc(c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
COc1cccnc1Nc1cc(ccn1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
COc1ccccc1Nc1cc(ccn1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
NC1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(Cl)cn2)n1 |t:1|
Cc1cc(Cl)cnc1C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1 |c:26|
NC(=S)c1ccc(nc1)C(=O)Nc1cccc(n1)C1(CF)COCC([NH3+])=N1
Cc1cc(Cl)cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC(N)=N1 |c:26|
NC1=NC(CF)(COC1)c1cc(NC(=O)c2ccc(Br)cn2)cnc1Cl
Cc1cc(Cl)cnc1C(=O)Nc1cccc(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:26|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)CS1(=O)=O |r|
COc1ccc(nc1)C(=O)Nc1ccc2OCC[C@]3(CS(=O)(=O)N(C)C(=N)N3)c2c1 |r|
COCC(=O)Nc1ccc2OCC[C@]3(CS(=O)(=O)N(C)C(=N)N3)c2c1 |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)C(F)F)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(OCF)cn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4coc(C)n4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(cn4)[N+]#[C-])cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ncc(cn4)C(F)(F)F)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ncc(Cl)cc4F)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cnc(OCC#C)cn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cnc(OCC(F)(F)F)cn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(OCC#C)cn4)cc23)CS1(=O)=O |r|
COc1cnc(C(=O)Nc2ccc3OCC[C@]4(CS(=O)(=O)N(C)C(=N)N4)c3c2)c(C)c1 |r|
COc1cnc(C(=O)Nc2ccc3OCC[C@]4(CS(=O)(=O)N(C)C(=N)N4)c3c2)c(C)n1 |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ncc(cc4C)C#N)cc23)CS1(=O)=O |r|
COc1cnc(cn1)C(=O)Nc1ccc2OCC[C@]3(CS(=O)(=O)N(C)C(=N)N3)c2c1 |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cnc(cn4)C(F)(F)F)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cc5ccccn5n4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccn(n4)C(F)F)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4noc(C)n4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cn5cc(ccc5n4)C#N)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cnsn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(F)cn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(OC(F)(F)F)cn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4cnc(OCCF)cn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(COCc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)CS1(=O)=O |r|
COc1ccc(nc1)C(=O)Nc1ccc2COC[C@]3(CS(=O)(=O)N(C)C(=N)N3)c2c1 |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)CS1(=O)=O |r|
COc1ccc(nc1)C(=O)Nc1ccc2CCC[C@]3(CS(=O)(=O)N(C)C(=N)N3)c2c1 |r|
COCC(=O)Nc1ccc2CCC[C@]3(CS(=O)(=O)N(C)C(=N)N3)c2c1 |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)C(F)F)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4cn5cc(ccc5n4)C#N)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(F)cn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(OC(F)(F)F)cn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4cnc(OCCF)cn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4noc(C)n4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(OCF)cn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4coc(C)n4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ncc(cn4)C(F)(F)F)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ncc(Cl)cc4F)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4cnc(OCC#C)cn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4cnc(OCC(F)(F)F)cn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(OCC#C)cn4)cc23)CS1(=O)=O |r|
COc1cnc(C(=O)Nc2ccc3CCC[C@]4(CS(=O)(=O)N(C)C(=N)N4)c3c2)c(C)c1 |r|
COc1cnc(C(=O)Nc2ccc3CCC[C@]4(CS(=O)(=O)N(C)C(=N)N4)c3c2)c(C)n1 |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ncc(cc4C)C#N)cc23)CS1(=O)=O |r|
COc1cnc(cn1)C(=O)Nc1ccc2CCC[C@]3(CS(=O)(=O)N(C)C(=N)N3)c2c1 |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4cnc(cn4)C(F)(F)F)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4cnsn4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4cc5ccccn5n4)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc23)CS1(=O)=O |r|
CN1C(=N)N[C@@]2(CCCc3ccc(NC(=O)c4ccn(n4)C(F)F)cc23)CS1(=O)=O |r|
CC(C)C1=C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2cnc(C)cn2)ccc1F |r,t:3,7|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(SC(N)=N1)C(C)C |r,c:22,26|
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(OCCO)cn2)ccc1F |r,c:2,6|
C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1ccccc1F |r,c:13|
C[C@]1(C[S@]2(=O)=NCCCCN2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:13|
C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:13|
C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(ccc1F)-c1cc(no1)-c1ncc(Cl)cn1 |r,c:13|
C[C@]1(C[S@]2(=O)=NCCCCN2C(N)=N1)c1cc(ccc1F)-c1cc(no1)-c1ncc(Cl)cn1 |r,c:13|
C[C@]1(C[S@]2(=O)=NCCCCN2C(N)=N1)c1cc(ccc1F)-c1cn(nn1)-c1ccc(cn1)C#N |r,c:13|
C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(ccc1F)C#Cc1ccc(cc1)C#N |r,c:13|
COc1cnc(cn1)-c1cc(on1)-c1ccc(F)c(c1)[C@]1(C)C[S@@]2(=O)=NCCCCN2C(N)=N1 |r,c:36|
COc1cnc(cn1)-c1cc(on1)-c1ccc(F)c(c1)[C@]1(C)C[S@]2(=O)=NCCCCN2C(N)=N1 |r,c:36|
C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(ccc1F)-c1cc(no1)-c1cnc(OCC(F)F)cn1 |r,c:13|
C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:13|
C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F |r,c:13|
CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[S@@]2(=O)=NCCCCN2C(N)=N1 |r,c:36|
Cc1cc(F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C[S@@]2(=O)=NCCCCN2C(N)=N1 |r,c:33|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS2(=O)=NCC(F)(F)CN2C(N)=N1)C#N |r,c:33|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:7|
[H][C@@]12CCOC[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |t:8|
NC1=N[C@]2(COCC[C@H]2CS1)c1cc(NC(=O)c2ccc(cn2)C#N)cs1 |r,t:1|
[H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)C(F)(F)F)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |c:5|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 |c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(CF)n2)cs1 |c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(n2)C(F)F)cs1 |c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 |c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)cs1 |c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(n2)C(F)F)cs1 |c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(F)cn2)cs1 |r,c:7|
COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:29|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(CF)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OCC(F)F)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(F)cc2C)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(F)cc2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(cn2)C(F)F)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(cn2)C(F)(F)F)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C(F)(F)F)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(F)cc2F)cs1 |r,c:7|
COc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:29|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)(F)F)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cc2)cs1 |r,c:7|
CC#CCOc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:32|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc3ccccn3n2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(C)n2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C(F)F)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OCF)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(n2)C2CC2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnccn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cn(C)nc2C)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cccnn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(on2)C2CC2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(on2)C(F)(F)F)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cn(cn2)C2CCC2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(nn2C)C2CCC2)cs1 |r,c:7|
COCc1cc(no1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:29|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(=O)n(C)c2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OCC(F)F)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(C)oc2C(F)(F)F)cs1 |r,c:7|
CCc1cc(C(=O)Nc2csc(n2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)n(C)n1 |r,c:25|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnn(C)n2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(C)nn2C)cs1 |r,c:7|
CCc1nc(co1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:28|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncn(C)n2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(C)(F)F)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 |r,c:7|
COc1cnc(C(=O)Nc2csc(n2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)c(C)n1 |r,c:26|
COc1cnc(C(=O)Nc2csc(n2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)c(C)c1 |r,c:26|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)nc2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(C)n2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(n2)C(F)(F)F)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(C)no2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2noc(C)n2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(C)oc2C)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OCC3CC3)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OC3CC3)cn2)cs1 |r,c:7|
C[C@@H](F)COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:32|
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1nc2ccccc2s1
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OCC(C)(F)F)cn2)cs1 |r,c:7|
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1cnccn1
Cn1c(nc2ccccc12)-n1nc(Nc2ccc(OCCN3CCCC3)cc2)nc1N
Nc1nc(Nc2ccc(OCCN3CCCCC3)cc2)nn1-c1ccnc(c1)N1CCOCC1
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1cccc(Cl)n1
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ccc(Cl)cn1
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncccc1Cl
Nc1nc(Nc2ccc(OCCN3CCCCC3)cc2)nn1-c1cccc(Cl)n1
Nc1nc(Nc2ccc(OCCN3CCCCC3)cc2)nn1-c1cccc(n1)N1CCOCC1
CC1CCCN1CCOc1ccc(Nc2nc(N)n(n2)-c2cnc3ccccc3n2)cc1
CC1CCCN1CCOc1ccc(Nc2nc(N)n(n2)-c2nc3ccccc3s2)cc1
CC1CCCN1CCOc1ccc(Nc2nc(N)n(n2)-c2nc3ccccc3n2C)cc1
CC1CCCN1CCOc1ccc(Nc2nc(N)n(n2)-c2nc3ccccc3[nH]2)cc1
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1nncc2ccccc12
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1cc(ccn1)C(F)(F)F
CC1CCCN1CCOc1ccc(Nc2nc(N)n(n2)-c2ccccc2F)cc1
Nc1nc(Nc2ccc(OCCN3CCCCC3)cc2)nn1-c1ccccc1F
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncccc1C(F)(F)F
COc1cccc(n1)-n1nc(Nc2ccc(OCCN3CCCC3)cc2)nc1N
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1nc2ccccc2[nH]1
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ccc(Br)cn1
COC(=O)C1CCCN1CCOc1ccc(Nc2nc(N)n(n2)-c2cnc3ccccc3n2)cc1
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ccccc1F
CNc1cccc(n1)-n1nc(Nc2ccc(OCCN3CCCCC3)cc2)nc1N
CN(C)c1cccc(n1)-n1nc(Nc2ccc(OCCN3CCCCC3)cc2)nc1N
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1nc(Cl)nc2ccccc12
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1nc(nc2ccccc12)N1CCOCC1
Nc1nc(Nc2ccc(OCCN3CCCC3)c(Cl)c2)nn1-c1nc2ccccc2s1
Cn1c(nc2ccccc12)-n1nc(Nc2ccc(OCCN3CCCC3)c(Cl)c2)nc1N
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(CC(F)F)n2)cs1 |r,c:7|
COCCn1ccc(n1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:30|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(CC#C)n2)cs1 |r,c:7|
COCc1nc(co1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:29|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(CC(F)(F)F)n2)cs1 |r,c:7|
CC#CCn1ccc(n1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:30|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2CCC2)cs1 |r,c:7|
CC#CCOc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:32|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(co2)C(F)F)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nn(cc2C)C(F)F)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)nc2C)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 |r,c:7|
COCC(F)(F)c1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:33|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OCC#N)cn2)cs1 |c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nc(CF)oc2C)cs1 |r,c:7|
COCC(F)(F)c1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:33|
CCC(F)(F)Oc1ccc(nc1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:33|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C23CC(C2)C3)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2(CC2)C#N)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2CC2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2(CCC2)C#N)cs1 |c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2(C)CCC2)cs1 |r,c:7|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(NC(=O)c2ccccc2)OC2C[C@H]12 |r,t:22|
Cc1c(F)cccc1[C@]1(N=C(NC(=O)c2ccccc2)O[C@@H]2C[C@H]12)C(F)F |r,t:10|
Cc1cc(OCC#CC(C)(C)O)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(N)O[C@H]2C[C@@H]12 |r,t:29|
CSc1c(F)cc(NC(=O)c2ccc(Cl)cn2)cc1[C@@]1(CF)N=C(N)OC2C[C@H]12 |r,t:24|
NC1=N[C@@](CF)([C@H]2CC2O1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2CC2O1)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@](CF)([C@@H]2C[C@H]2O1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl |r,t:1|
COc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:24|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)N=C(NC(=O)c2ccccc2)O[C@H]2C[C@@H]12 |r,t:22|
NC1=N[C@](C(F)F)([C@H]2C[C@H]2O1)c1nc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2CC2O1)c1nc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
NC1=N[C@](CF)([C@@H]2C[C@@H]2O1)c1cc(Nc2nccc3cc(Cl)cnc23)cc(F)c1F |r,t:1|
COc1cnc2c(Nc3ccc(Cl)c(c3)[C@@]3(CF)N=C(N)O[C@@H]4C[C@H]34)nccc2c1 |r,t:19|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@@H]2CCc3cc(Br)cnc23)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCOc3cc(ccc23)C#N)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCc3cc(Br)ccc23)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(Nc2coc3cc(Cl)cnc23)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC2CCc3cc(cnc23)C#N)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H]2CCCc3cc(cnc23)C#N)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(CCC#CC3CC3)cn2)ccc1F |r,t:1|
OCc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(N=[C-]O[C@@H]2C[C@H]12)C(F)F |r,c:22|
FC[C@@]1(N=C(NC(=O)c2ccccc2)O[C@@H]2C[C@H]12)c1cc(Br)ccc1Cl |r,t:3|
FC(F)[C@]1(N=C(NC(=O)c2ccccc2)O[C@H]2C[C@@H]12)c1cc(Br)ccc1F |r,t:4|
FC(F)[C@@]1(N=C(NC(=O)c2ccccc2)O[C@@H]2C[C@H]12)c1cc(Br)ccc1F |r,t:4|
CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12 |r,t:21|
COc1ccc(COCc2cc(F)c(cc2-c2cncc(c2)C#CC)[C@@]2(CF)N=C(N)OC3C[C@H]23)cc1 |r,t:30|
CC(C)(C)OC(=O)N=C1OC2C[C@@H]2[C@](CF)(N1C(=O)OC(C)(C)C)c1cc(c(CO)cc1F)-c1cncc(F)c1 |r|
CN(C(=O)OC(C)(C)C)c1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F |r,t:28|
C[C@]1(CS(=O)(=O)[C@@](CF)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,c:14|
C[C@]1(CS(=O)(=O)[C@@](CF)(C2CC2)C(N)=N1)c1nc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,c:14|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(Br)cnc23)ncc1F |r,c:13|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ncc1F |r,c:13|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1nc(Nc2nccc3cc(cnc23)C#N)ncc1F |r,c:13|
COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2c1 |r,c:29|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2c1 |r,c:30|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2n1 |r,c:30|
COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2n1 |r,c:29|
CC#CCOc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2c1 |r,c:32|
CC#CCOc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2c1 |r,c:33|
COc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2c1 |r,c:30|
CC#CCOc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](CF)(C4CC4)C(N)=N3)nccc2n1 |r,c:33|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2c1 |r,c:29|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ncnc3cc(Br)cnc23)ccc1F |r,c:13|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ncnc3cc(cnc23)C#N)ccc1F |r,c:13|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F |r,c:13|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r,c:13|
COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ncnc2c1 |r,c:29|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ncnc2c1 |r,c:29|
COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ccnc2c1 |r,c:29|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ncnc2n1 |r,c:29|
COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ncnc2n1 |r,c:29|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2n1 |r,c:29|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(O)cnc23)ncc1F |r,c:13|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(F)cnc23)ncc1F |r,c:13|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2nccc3cc(Cl)cnc23)ncc1F |r,c:13|
CC#CCOc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2n1 |r,c:32|
CC#CCOc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2n1 |r,c:32|
CC#CCOc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2c1 |r,c:32|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ccnc3cccnc23)ncc1F |r,c:13|
COc1cnc2c(Nc3cnc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)nccc2c1 |r,c:29|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ccnc3cc(Cl)cnc23)ncc1F |r,c:13|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ccnc3cc(F)cnc23)ncc1F |r,c:13|
COc1cnc2c(Nc3cc(c(F)cn3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ccnc2n1 |r,c:29|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ccnc2c1 |r,c:29|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)[C@@](C)(C4CC4)C(N)=N3)ccnc2n1 |r,c:29|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ncnc3cc(Br)cnc23)ncc1F |r,c:13|
C[C@]1(CS(=O)(=O)[C@@](C)(C2CC2)C(N)=N1)c1cc(Nc2ncnc3cc(cnc23)C#N)ncc1F |r,c:13|
C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,c:16|
C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 |r,c:16|
C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2coc(CF)n2)cs1 |r,c:16|
C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(n2)C(F)F)cs1 |r,c:16|
C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 |r,c:16|
C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)cs1 |r,c:16|
C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 |r,c:16|
C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(N)cs1 |r,c:16|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(F)cc2C)cs1 |r,c:7|
C[C@H](F)COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:32|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2oc(C)nc2C)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cn(C)nc2C(F)(F)F)cs1 |r,c:7|
CC(C)n1cnc(c1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:29|
CC(C)Cc1cc(no1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:30|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnn(C)c2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(C)on2)cs1 |r,c:7|
CC(C)Cc1cc(nn1C)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:31|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccncn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(C)no2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(C)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc3CCCn3n2)cs1 |r,c:7|
CC(C)c1cc(C(=O)Nc2csc(n2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)n(C)n1 |r,c:26|
CCc1cc(on1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:28|
CCn1cc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:28|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(C)n(C)n2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncnn2C)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cn(C)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cn(C)nn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccon2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)C2CC(F)(F)C2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncccn2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnn(c2)C2CC2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cc(Cl)n(C)n2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnc(cn2)C2CC2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2cnn(c2)C(F)F)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(n2)C2CC2)cs1 |r,c:7|
C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccnn2C2CC2)cs1 |r,c:7|
CC(C)c1nc(co1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:29|
C[C@H]1C[C@H]2CSC(N)N[C@]2(CO1)c1ncc(NC(=O)c2ccc(OC(F)F)cn2)s1 |r|
C[C@H]1C[C@H]2CSC(N)N[C@]2(CO1)c1cc(NC(=O)c2ccc(cn2)C#N)cs1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1 |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1 |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N2)c(C)c1 |r|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N2)c(C)n1 |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnccn2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2noc(C)n2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnsn2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cn3ccc(cc3n2)C#N)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccn(C)n2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cc(C)on2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc3nc(C)oc3c2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccccn2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cc(C)no2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r|
COCCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1 |r|
COCC(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1 |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cn(C)nc2C(F)(F)F)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cn3ccsc3n2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)C(F)F)ccc1F |r|
CO[C@H](C)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1 |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)CC2CC2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ncc(cn2)C(F)(F)F)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2nc(C)oc2C)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)C2CC2)ccc1F |r|
CO[C@@H](C)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N1 |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(C)=O)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(OCc2ccc(cc2)C#N)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(Nc2nccc3cc(cnc23)C#N)ccc1F |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F |r|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CN(C)S(=O)(=O)C(C)(C)C(=N)N3)nccc2c1 |r|
CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(Nc2nccn3ccnc23)ccc1F |r|
C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10|
C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nncc2C(N)=N1 |r,c:30|
C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:10|
C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,c:10|
C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F |r,c:10|
C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F |r,c:10|
C[C@]1(Cn2nncc2C(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)cc(F)c1F |r,c:10|
NC1=N[C@@](CF)(Cn2nncc12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:1|
NC1=N[C@](CF)(Cn2nncc12)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:1|
C[C@H]1C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,c:7|
C[C@H]1C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 |r,c:7|
C[C@H]1C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 |r,c:7|
C[C@H]1C[C@H]2CCOC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,c:8|
C[C@H]1C[C@H]2CCOC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 |r,c:8|
C[C@H]1C[C@H]2[C@@H](CF)OC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,c:9|
C[C@H]1C[C@H]2[C@H](OC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1)C(F)(F)F |r,c:7|
CC1(C)C[C@H]2COC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,c:8|
Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12COC(C)(C)C[C@H]1COC(N)=N2 |r,c:33|
NC1=N[C@@]2(CO[C@@H](C[C@@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 |r,t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(Cl)cn2)cs1 |r,t:1|
Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@@]12CO[C@@H](C[C@@H]1COC(N)=N2)C(F)(F)F |r,c:31|
Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12CO[C@H](C[C@H]1COC(N)=N2)C(F)(F)F |r,c:31|
NC1=N[C@@]2(CO[C@@H](C[C@@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,t:1|
NC1=N[C@@]2(CO[C@@H](C[C@@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 |r,t:1|
NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 |r,t:1|
NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,t:1|
Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12COC3(CCC3)C[C@H]1COC(N)=N2 |r,c:35|
NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 |r,t:1|
NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 |r,t:1|
NC1=N[C@]2(COC3(CCC3)C[C@H]2CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 |r,t:1|
Cc1cc(cnc1C(=O)Nc1csc(n1)[C@]12COC3(CCC3)C[C@H]1COC(N)=N2)C#N |r,c:31|
NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2cnc(OC(F)F)cn2)cs1 |r,t:1|
Cc1cc(cnc1C(=O)Nc1csc(n1)[C@]12CO[C@H](C[C@H]1COC(N)=N2)C(F)(F)F)C#N |r,c:27|
Cc1nc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@]12CO[C@H](C[C@H]1COC(N)=N2)C(F)(F)F |r,c:31|
COc1cnc(C(=O)Nc2csc(n2)[C@]23CO[C@H](C[C@H]2COC(N)=N3)C(F)(F)F)c(C)n1 |r,c:25|
NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)cs1 |r,t:1|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)C11CC1 |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cn(C)nc3C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(OCC#C)cn3)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnsn3)ccc2F)C2(CC2)S1(=O)=O |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)C11CC1 |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(cn3)C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3noc(C)n3)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(cn3)C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O |r|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)NC(=N)N(C)S(=O)(=O)C22CC2)c(C)c1 |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(cc3C)C#N)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccn(n3)C(F)F)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cn4ccc(cc4n3)C#N)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cc(C)on3)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(Cl)cc3F)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnc(cn3)C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O |r|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)NC(=N)N(C)S(=O)(=O)C22CC2)c(C)n1 |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(OC(F)F)cn3)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnc(OCCF)cn3)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3nc(C)oc3C)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cn4ccsc4n3)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3cnc(OCC(F)(F)F)cn3)ccc2F)C2(CC2)S1(=O)=O |r|
CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O |r|
C[C@]1(Cc2ncncc2C(=N)N1)c1cc(cs1)-c1cccc(c1)C#N |r|
C[C@]1(Cc2ncncc2C(=N)N1)c1cccc(c1)-c1cccc(c1)C#N |r|
CC#Cc1cncc(c1)-c1cccc(c1)[C@]1(C)Cc2ncncc2C(=N)N1 |r|
C[C@]1(Cc2ncncc2C(=N)N1)c1cc(ccc1F)-c1cncc(Cl)c1 |r|
COc1cccc(c1)-c1ccc(F)c(c1)[C@]1(C)Cc2ncncc2C(=N)N1 |r|
C[C@]1(Cc2ncncc2C(=N)N1)c1cc(ccc1F)-c1cccc(c1)C(F)(F)F |r|
C[C@]1(Cc2ncncc2C(=N)N1)c1cc(ccc1F)-c1cncnc1 |r|
COc1cncc(c1)-c1ccc(F)c(c1)[C@]1(C)Cc2ncncc2C(=N)N1 |r|
C[C@]1(Cc2ncncc2C(=N)N1)c1cc(ccc1F)-c1cncc(c1)C#N |r|
C[C@]1(Cc2ncncc2C(=N)N1)c1cc(ccc1F)-c1cccnc1 |r|
C[C@]1(Cc2ncncc2C(=N)N1)c1cc(ccc1F)-c1cccc(c1)C#N |r|
CC#Cc1cncc(c1)-c1ccc(F)c(c1)[C@]1(C)Cc2ncncc2C(=N)N1 |r|
C[C@]1(Cc2ncncc2C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)C#N |r|
C[C@]1(Cc2ncncc2C(=N)N1)c1sc(cc1Cl)-c1cncc(c1)C#N |r|
C[C@]1(Cc2ncncc2C(=N)N1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 |r|
C[C@]1(Cc2ncncc2C(=N)N1)c1sc(cc1Cl)-c1ccc(F)c(c1)C#N |r|
C[C@]1(Cc2ncncc2C(=N)N1)c1sc(cc1Cl)-c1cc(F)cc(c1)-c1nnco1 |r|
C[C@@]1(NC(=N)c2cncnc2C1(F)F)c1cc(cs1)-c1cccc(c1)C#N |r|
C[C@@]1(NC(=N)c2cncnc2C1(F)F)c1sc(cc1Cl)-c1cccc(c1)C#N |r|
C[C@@]1(NC(=N)c2cncnc2C1(F)F)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 |r|
Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1cccc(c1)-c1cccc(c1)C#N |r|
CC#Cc1cncc(c1)-c1cccc(c1)[C@]1(C)Cc2nc(C)ncc2C(=N)N1 |r|
Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1cc(cs1)-c1cccc(c1)C#N |r|
Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1sc(cc1Cl)-c1cccc(c1)C#N |r|
Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1sc(cc1Cl)-c1cncc(c1)C#N |r|
Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1sc(cc1Cl)-c1cccc(c1)-c1nnco1 |r|
Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1sc(cc1Cl)-c1ccc(F)c(c1)C#N |r|
Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1sc(cc1Cl)-c1cc(F)cc(c1)-c1nnco1 |r|
Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1sc(cc1Cl)-c1cccc(c1)-c1ncno1 |r|
C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1cccc(c1)-c1cccc(c1)C#N |r|
CC#Cc1cncc(c1)-c1cccc(c1)[C@]1(C)Cc2nc(ncc2C(=N)N1)C1CC1 |r|
C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1cc(cs1)-c1cccc(c1)C#N |r|
COc1cccc2cc([nH]c12)-c1csc(c1)[C@]1(C)Cc2nc(ncc2C(=N)N1)C1CC1 |r|
C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1cc(cs1)-c1cccc(c1)-c1nnco1 |r|
C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1cc(cs1)-c1cncc(c1)C#N |r|
C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1sc(cc1Cl)-c1cccc(c1)C#N |r|
C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1sc(cc1Cl)-c1cncc(c1)C#N |r|
COc1cccc2cc([nH]c12)-c1cc(Cl)c(s1)[C@]1(C)Cc2nc(ncc2C(=N)N1)C1CC1 |r|
COc1cccc2cc([nH]c12)-c1csc(c1)[C@]1(C)Cc2nc(ncc2C(=N)N1)C(F)(F)F |r|
C[C@]1(Cc2nc(ncc2C(=N)N1)C(F)(F)F)c1cc(cs1)-c1cccc(c1)C#N |r|
C[C@]1(Cc2nc(ncc2C(=N)N1)C(F)(F)F)c1cc(cs1)-c1cncc(c1)C#N |r|
C[C@]1(Cc2nc(ncc2C(=N)N1)C(F)(F)F)c1cc(cs1)-c1cccc(c1)-c1nnco1 |r|
C[C@]1(Cc2ncncc2C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
Cc1ncc2C(=N)N[C@@](C)(Cc2n1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cc2nc(C)ncc2C(=N)N1 |r|
C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
C[C@]1(Cc2nc(ncc2C(=N)N1)C1CC1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r|
Cc1ncc2C(=N)N[C@](Cc2n1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
C[C@]1(Cc2nccnc2C(=N)N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccccn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4nc(C)oc4C)cc23)S1(=O)=O |r|
COCC(=O)Nc1ccc2OCC[C@@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1 |r|
CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(OCC#C)cn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@@H](CCOc3ccc(NC(=O)c4ncc(F)cc4C)cc23)S1(=O)=O |r|
COc1cnc(cn1)C(=O)Nc1ccc2OCC[C@@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1 |r|
CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccccn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(Cl)cc4Cl)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(Cl)cc4F)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(F)cc4F)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(C)cn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(cn4)C(F)(F)F)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ccc(OC(F)(F)F)cn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC(=O)c4ncc(cc4Cl)C(F)(F)F)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(C)cn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(Cl)cn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4cnc(C)cn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(Cl)cc4F)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(F)cc4F)cc23)S1(=O)=O |r|
COc1cc(Br)cnc1C(=O)Nc1ccc2CCC[C@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1 |r|
CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(OC(F)(F)F)cn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(cc4Cl)C(F)(F)F)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(F)cc4C)cc23)S1(=O)=O |r|
COc1cnc(C(=O)Nc2ccc3CCC[C@H]4[C@](C)(NC(=N)N(C)S4(=O)=O)c3c2)c(C)c1 |r|
COc1cnc(C(=O)Nc2ccc3CCC[C@H]4[C@](C)(NC(=N)N(C)S4(=O)=O)c3c2)c(C)n1 |r|
COc1cnc(cn1)C(=O)Nc1ccc2CCC[C@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1 |r|
CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ncc(cc4C)C#N)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCCc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4ccc(F)cn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4ccc(OC(F)F)cn4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@@H](CCCc3ccc(NC(=O)c4cnc(C)cn4)cc23)S1(=O)=O |r|
COc1cnc2c(Nc3ccc4OCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2n1 |r|
COc1cnc2c(Nc3ccc4OCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)ccnc2c1 |r|
COc1cnc2c(Nc3ccc4OCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2c1 |r|
COc1cnc2c(Nc3ccc4CCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2n1 |r|
COc1cnc2c(Nc3ccc4CCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)ccnc2n1 |r|
COc1cnc2c(Nc3ccc4CCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2c1 |r|
CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NC4CCCC4)cc23)S1(=O)=O |r|
CN1C(=N)N[C@@]2(C)[C@H](CCOc3ccc(NCC4CC4)cc23)S1(=O)=O |r|
CCCNc1ccc2OCC[C@H]3[C@](C)(NC(=N)N(C)S3(=O)=O)c2c1 |r|
COC[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:10|
COC[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(\C=C(\F)c2ccc(Cl)cn2)ccc1F |t:10|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:11|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:2|
COc1ccc(nc1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1 |t:22|
COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F |t:10|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:11|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F |r,t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#CC2CC2)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#C)ccc1F |t:11|
COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:10|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@@]2(CO)C[C@@H]12)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@@]2(CC#N)C[C@@H]12)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:2|
CC(O)CCNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:14|
CC1CCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:14|
COC[C@@H]1CCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:17|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)Nc1ccccc1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:2|
C[C@H]1CCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:14|
C[C@@H]1CCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:14|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)NC1CC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC(F)(F)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)C(=O)N3CCOCC3)c4cc(ccc4F)/C=C(/c5ccc(cn5)C#N)\F
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@H](O)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](F)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@H](F)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)NC1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1Cc2ccccc2C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
COC(=O)[C@H]1CCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:18|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCN(CC1)c1ccccc1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC2CC1CO2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@H]1CC[C@@H](C)N1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:16|
CN(C)[C@@H]1CCN(C1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:17|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H]2CCCC[C@H]2C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
CC12CC(CC(C)(C)C1)N(C2)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:21|
CC1CC(C)CN(C1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:17|
CC1CCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:15|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC(CC1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC(C1)c1ccccc1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCN(CC2CC2)CC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCNC(=O)CC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC(C1)C#N)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCNC(=O)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
CC1CCCN(C1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:16|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
CC1CCN(CC1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:16|
COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(Br)cn2)ccc1F |t:10|
COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |t:10|
COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(C)=O)cn2)ccc1F |t:10|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F |t:11|
CC(Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N(C)C)c1ncco1 |t:23|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(Br)cn2)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#N)cn2)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#CC2CC2)ccc1F |t:11|
Cc1cc(cnc1\C(F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)C#N |t:21|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(Br)cn2)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#CC)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#CC2CC2)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#C[Si](C)(C)C)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#C)ccc1F |t:10|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cc2)C#N)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ncc(cn2)C#N)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(nc2)C#N)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cc2F)C#N)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(nc2)C#N)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(nn2)C#N)ccc1F |t:11|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:10|
COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)cnc1F |t:10|
COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(\F)c2ccc(Cl)cn2)cnc1F |t:10|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)cnc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(\F)c2ccc(Cl)cn2)cnc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F |t:11|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](F)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@H](F)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F |t:2|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C(\F)=C\c1ccc(Cl)cn1 |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C(\F)=C\c1ccc(cc1)C#N |t:11|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCCC1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@H](F)C1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](F)C1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |t:2|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#C)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)I)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)C#Cc2ccccc2)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C/F)ccc1F |t:11|
CC#C\C(F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N(C)C |t:16|
COCCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N(C)C |t:25|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3CC3)cn2)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3COC3)cn2)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)F)cn2)ccc1F |t:11|
COC[C@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N(C)C |t:26|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3CC3(F)F)cn2)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3nnc(C)o3)cn2)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3nc(C)no3)cn2)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3cc(C)no3)cn2)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ncc(s2)C#N)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(s2)C#N)ccc1F |t:11|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C(F)(F)F)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ncc(cc2C)C#N)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3cnco3)cn2)ccc1F |t:10|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:2|
Cc1nnc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@@]2(C)N=C(N)S[C@]3(C[C@@H]23)S(C)(=O)=O)o1 |t:27|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |t:2|
CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O |t:25|
C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)C#C |t:23|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)S(C)(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
CC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:9|
CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(C)=O |t:25|
CC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F |t:9|
C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(C)=O)C#C |t:23|
CC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:9|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(N)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C#N)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:2|
CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(N)=O |t:25|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(N)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(N)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C#N |t:25|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C#N)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cn3cc(ccc3n2)C#N)ccc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cc3nccnc3cn2)ccc1F |t:11|
COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)cc(F)c1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cc3OCCOc3cn2)ccc1F |t:10|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ncc3OCCOc3n2)ccc1F |t:11|
COc1ccc(CNC2=N[C@@](C)([C@@H]3C(F)(F)[C@]3(CO)S2)c2cc(\C=C(/F)c3ccc(cn3)C#N)ccc2F)cc1 |r,t:8|
C[C@@]1(N=C(N)S[C@]2(CO)[C@H]1C2(F)F)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(CO)[C@H]1C2(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(CO)[C@H]1C2(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(CO)[C@H]1C2(F)F)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:2|
COC(=O)[C@@]12SC(N)=N[C@@](C)([C@@H]1C2(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |c:7|
CC(C)(O)[C@@]12SC(N)=N[C@@](C)([C@@H]1C2(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |c:7|
COC[C@@]12SC(N)=N[C@@](C)([C@@H]1C2(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |c:6|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC(F)(F)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC(F)(F)CC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F |t:2|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#CC)cn2)ccc1F |r,t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(O[C@@H](C)C#C)cn2)ccc1F |r,t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OC[C@H](C)OC)cn2)ccc1F |r,t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)F)cn2)ccc1F |r,t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F |r,t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCCC(F)(F)F)cn2)ccc1F |r,t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCCF)cn2)ccc1F |r,t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3CC3)cn2)ccc1F |r,t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3CCC3)cn2)ccc1F |r,t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3COC3)cn2)ccc1F |r,t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3CCO3)cn2)ccc1F |r,t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(C)C)cn2)ccc1F |r,t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3cc(C)on3)cn2)ccc1F |r,t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCc3cc(C)no3)cn2)ccc1F |r,t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OC(C)C(F)(F)F)cn2)ccc1F |r,t:9|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC3CC(F)(F)C3)cn2)ccc1F |r,t:9|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1[C@H]2COC[C@@H]1COC2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:2,THB:9:11:17.18.19:13.14.15|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@H](F)C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)NCC(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F |t:2|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)cnc1F |t:11|
C[C@@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F |t:16|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1[C@H]2COC[C@@H]1COC2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F |t:2,THB:9:11:17.18.19:13.14.15|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F |t:2|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:9|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F |t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(C)=O)cn2)cnc1F |t:11|
CC#CCOc1cnc(cn1)C(\F)=C\c1cnc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N(C)C |t:25|
C[C@@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F |t:16|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)cnc1F |t:11|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:2|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:9|
COC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F |t:10|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](F)C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F |t:2|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#N)cnc1F |t:11|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](F)C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1[C@H]2COC[C@@H]1COC2)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F |t:2,THB:9:11:17.18.19:13.14.15|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |t:9|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)NCC(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)NCC(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@H](F)C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:2|
C[C@@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:16|
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cc3OCCOc3cn2)ccc1F |t:9|
C[C@H]1[C@@H](F)CCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:16|
C[C@@H]1[C@H](F)CCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:16|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOC2(COC2)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@]1(O)CCN(C1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:16|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCO[C@H]2C[C@@H]12)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:2|
C[C@H]1COC[C@@H](C)N1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:17|
C[C@@H]1COC[C@@H](C)N1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:17|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1C2CCC1COC2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2,THB:9:11:16.17.18:13.14|
CC(C)[C@H]1CN(CCO1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:18|
CC(C)[C@@H]1CN(CCO1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:18|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOC2(CC2)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC2(C1)CCOCC2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC2(C1)CCOCC2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@H]1CN(CCO1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:16|
CC(C)[C@@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:18|
C[C@H]1CN(C[C@H](C)O1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:17|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC(F)(F)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC(F)(F)CC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC(F)CC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCC2(CCO2)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
COC[C@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:18|
C[C@H]1CN([C@@H](C)CO1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:17|
C[C@@H]1CN([C@H](C)CO1)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:17|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC11CCC1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
CC1(C)COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:17|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CC[C@@H](O)C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
CC[C@H]1COCCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:17|
C[C@H]1[C@H](O)CCN1C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:16|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1c1ccccc1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccccn2)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C2COC2)ccc1F |t:2|
COC(CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F)OC |t:13|
CC1COC(=N1)[C@]12C[C@H]1[C@](C)(N=C(NC(=O)OC(C)(C)C)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,c:4,t:13|
C[C@@H]1CN=C(O1)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |c:3,t:13|
Cc1cnc(o1)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:13|
Cc1cnc(o1)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,t:13|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)N2CCOC2=O)ccc1F |r,t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(\F)c2ccc(cn2)C#N)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#C)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)C#C[Si](C)(C)C)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)C#C)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)N2CCC2)ccc1F |t:2|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |t:10|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#C[Si](C)(C)C)ccc1F |t:2|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2cnc(cn2)C#CC2CC2)ccc1F |t:2|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(\F)c2ccc(Br)cn2)ccc1F |t:10|
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCOCC1)c1cc(\C=C(/F)c2ccc(cn2)C#CC2CC2)ccc1F |t:2|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#CC2CC2)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#CC(C)(C)C)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(cn2)C#CC2(C)COC2)ccc1F |t:10|
CCCC#Cc1ccc(nc1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)NC |t:25|
CNC(=O)[C@@]12C[C@@H]1[C@@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ncc(cn2)C#CCO)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2cnc(cn2)C#CCF)ccc1F |t:10|
CNC(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(\C=C(/F)c2ccc(OC(F)(F)F)cn2)ccc1F |t:10|
CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ncccn3)C2=O)C#N)CC[C@H]1OC |r,t:15|
CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCCCC3)C2=O)C#N)CC[C@H]1OC |r,t:15|
CC[C@H]1C[C@]2(Cc3ccc(cc3[C@]22NC(=S)N(C[C@H]3CCCO3)C2=O)C#N)CC[C@@H]1OC |r|
CNC1=NC(NC(=O)N1)c1ccccc1C |t:2|
CCNC1=NC(NC(=O)N1)c1ccc(F)cc1 |t:3|
CCCNC1=NC(NC(=O)N1)c1ccc(F)cc1 |t:4|
COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]12CN(C[C@H]1CSC(N)=N2)c1ncc(F)cn1 |c:28|
COc1cnc(cn1)C(=O)Nc2ccc(c(c2)[C@]34CN(C[C@H]3CSC(=N4)N)c5ncc(cn5)F)F
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 |t:1|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@](C)(F)CC1(F)F |r,t:22|
CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(OCCF)cn2)ccc1F |r|
[H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r|
[H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
[H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
[H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2cnc(C)cn2)ccc1F |r|
[H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccc(C)cn2)ccc1F |r|
[H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(Cl)cc2F)ccc1F |r|
[H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(F)cc2F)ccc1F |r|
[H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(F)cc2C)ccc1F |r|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]23CCC[C@H]2S(=O)(=O)N(C)C(=N)N3)c(C)c1 |r|
[H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ncc(OC)nc2C)ccc1F |r|
CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r|
CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F |r|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12CCC[C@H]1S(=O)(=O)N(C)C(=N)N2 |r|
CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12CCC[C@H]1S(=O)(=O)N(C)C(=N)N2 |r|
CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(NC(=O)c2ccc(OCC#C)cn2)ccc1F |r|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]34CCC[C@H]3S(=O)(=O)N(C)C(=N)N4)nccc2c1 |r|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]34CCC[C@H]3S(=O)(=O)N(C)C(=N)N4)nccc2n1 |r|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]34CCC[C@H]3S(=O)(=O)N(C)C(=N)N4)ccnc2c1 |r|
CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(Nc2nccc3cc(Br)cnc23)ccc1F |r|
CN1C(=N)N[C@]2(CCC[C@H]2S1(=O)=O)c1cc(Nc2ncnc3cc(Br)cnc23)ccc1F |r|
CN1C(=N)NC2(CC2S1(=O)=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
COCC(=O)Nc1ccc(F)c(c1)C12CCCC1S(=O)(=O)N(C)C(=N)N2
CN1C(=N)NC2(CCCC2S1(=O)=O)c1cc(NC(=O)C(F)F)ccc1F
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(F)cc(Cl)c2)CC1 |c:20|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |c:20|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC2CC2)CC1 |c:20,(8.43,-2.77,;6.89,-2.77,;6.12,-1.44,;5.03,-2.53,;3.69,-1.77,;2.15,-1.77,;1.25,-3.01,;-.22,-2.54,;-1.55,-3.31,;-2.89,-2.54,;-2.89,-1,;-1.55,-.23,;-.22,-1,;1.25,-.52,;2.15,.73,;1.25,1.97,;2.02,3.31,;-.22,1.5,;-1.55,2.27,;-.22,-.04,;-4.22,-.23,;-5.55,.54,;-6.89,1.31,;-7.66,2.65,;-8.43,1.31,;3.24,-.68,;4.58,-1.44,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(c2)C#N)CC1 |t:16|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(Cl)c2)CC1 |c:20|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(Cl)cc(Cl)c2)CC1 |c:20|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(Cl)cc(OC)c2)CC1 |c:20|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |c:20|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(OC(F)(F)F)c2)CC1 |c:20|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cc(Cl)cc(c1)C#N |c:4|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(OC(F)(F)F)c2)CC1 |t:16,(7.97,-2.7,;6.48,-2.3,;4.99,-1.91,;3.5,-2.28,;2.4,-3.36,;1.07,-2.59,;.17,-3.84,;-1.3,-3.36,;-2.63,-4.13,;-3.97,-3.36,;-3.97,-1.82,;-2.63,-1.05,;-1.3,-1.82,;.17,-1.35,;-.74,-.1,;.17,1.15,;-.6,2.48,;1.63,.67,;2.96,1.44,;1.63,-.87,;3.17,-.87,;-5.3,-1.05,;-6.63,-1.82,;-7.97,-1.05,;-7.97,.49,;-6.63,1.26,;-6.63,2.8,;-5.09,2.8,;-4.32,4.13,;-4.32,1.46,;-3.55,2.8,;-5.3,.49,;2.56,-2.28,;3.66,-1.14,)|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2ccc(F)c(c2)C#N)CC1 |c:20|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2ccc(F)c(Cl)c2)CC1 |c:20|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(F)cc(Cl)c2)CC1 |t:16,(8.63,-2.04,;7.15,-1.64,;5.66,-1.24,;4.17,-1.61,;3.07,-2.7,;1.74,-1.93,;.83,-3.17,;-.63,-2.7,;-1.97,-3.47,;-3.3,-2.7,;-3.3,-1.16,;-1.97,-.38,;-.63,-1.16,;.83,-.68,;-.41,.23,;.06,1.69,;-.71,3.02,;1.6,1.69,;2.37,3.02,;2.08,.23,;3.62,.23,;-4.63,-.39,;-4.63,1.15,;-5.97,1.93,;-5.97,3.47,;-7.3,1.15,;-7.3,-.39,;-8.63,-1.16,;-5.97,-1.16,;3.23,-1.61,;4.33,-.47,)|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cc(F)cc(Cl)c1 |c:4|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(Cl)cc(OC)c2)CC1 |t:16,(9.1,-.55,;8.01,-1.64,;6.53,-1.24,;5.03,-1.61,;3.94,-2.7,;2.6,-1.93,;1.7,-3.17,;.23,-2.7,;-1.1,-3.47,;-2.43,-2.7,;-2.43,-1.16,;-1.1,-.38,;.23,-1.16,;1.7,-.68,;.23,-.2,;.23,1.34,;-1.1,2.11,;1.7,1.81,;2.47,3.15,;2.6,.57,;4.14,.57,;-3.77,-.39,;-3.77,1.15,;-5.1,1.93,;-5.1,3.47,;-6.43,1.15,;-6.43,-.39,;-7.77,-1.16,;-9.1,-.38,;-5.1,-1.16,;4.1,-1.61,;5.19,-.47,)|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(Cl)c1 |c:4|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccnc2)CC1 |c:20,(7.77,-3.03,;6.28,-3.42,;5.19,-2.33,;3.86,-3.1,;2.76,-2.02,;1.27,-1.65,;.36,-2.89,;-1.1,-2.42,;-2.43,-3.19,;-3.77,-2.42,;-3.77,-.88,;-2.43,-.11,;-1.1,-.88,;.36,-.4,;1.83,.07,;1.83,1.61,;3.16,2.38,;.36,2.09,;-.41,3.42,;-.54,.84,;-5.1,-.11,;-6.43,-.88,;-7.77,-.11,;-7.77,1.43,;-6.43,2.2,;-5.1,1.43,;2.6,-.88,;3.7,-2.02,)|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(C)cc(C)c2)CC1 |c:20|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C(F)(F)F)CC1 |c:20|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cc(Cl)cc(Cl)c1 |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(c1)C#N |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1ccc(F)c(Cl)c1 |c:4|
CCOC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC2CC2)CC1 |c:21,(9.05,.07,;8.28,-1.27,;6.95,-.5,;5.62,.27,;4.85,-1.06,;3.36,-.64,;1.88,-1.06,;1.4,-2.53,;-.14,-2.53,;-1.17,-3.67,;-2.68,-3.35,;-3.15,-1.88,;-2.12,-.74,;-.62,-1.06,;.63,-.16,;1.54,1.09,;.63,2.34,;1.4,3.67,;-.83,1.86,;-2.17,2.63,;-.83,.32,;-4.64,-1.49,;-6.18,-1.49,;-7.72,-1.49,;-9.05,-.72,;-9.05,-2.26,;2.65,.27,;4.14,-.15,)|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1 |c:20|
COc1cc(Cl)cc(c1)-c1ccc2CC3(CCc4ccccc4CC3)C3(ON(C)C(N)=N3)c2c1 |c:33|
CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1 |r,wD:6.6,3.2,c:21,(8.44,.84,;7.67,-.5,;6.13,-.5,;4.79,.27,;3.31,-.15,;1.82,.27,;1.05,-1.06,;.58,-2.53,;-.96,-2.53,;-1.99,-3.67,;-3.5,-3.35,;-3.98,-1.88,;-2.94,-.74,;-1.44,-1.06,;-.19,-.16,;.71,1.09,;-.19,2.34,;.58,3.67,;-1.66,1.86,;-2.99,2.63,;-1.66,.32,;-5.46,-1.49,;-6.55,-2.58,;-8.04,-2.18,;-8.44,-.69,;-7.35,.4,;-5.86,0,;-7.75,1.89,;-8.15,3.37,;2.53,-.64,;4.02,-1.06,)|
CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(c1)C#N |c:3|
CN1OC2(N=C1N)c1cc(Cl)ccc1CC21CCc2ccccc2CC1 |c:4|
CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCc2ccccc2CC1 |c:4|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cc(F)ccc2C)CC1 |c:20|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cc(F)c(F)cc2C1)-c1cccc(c1)C#N |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCC(F)=CC1)-c1cccc(c1)C#N |c:4,21|
CN1OC2(N=C1N)c1ccccc1CC21CCc2ccccc2CC1 |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCOc2ccccc2C1)-c1cccc(c1)C#N |c:4|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2ccc3cc[nH]c3c2)CC1 |c:20,(8.25,.04,;6.76,.43,;5.67,-.66,;4.9,-1.99,;3.41,-1.57,;1.93,-1.99,;1.03,-3.23,;-.44,-2.76,;-1.77,-3.53,;-3.1,-2.76,;-3.1,-1.22,;-1.77,-.45,;-.44,-1.22,;1.03,-.74,;2.49,-.27,;2.49,1.27,;3.83,2.04,;1.03,1.75,;.26,3.08,;.12,.5,;-4.44,-.45,;-5.77,-1.22,;-7.11,-.45,;-7.11,1.09,;-8.25,2.12,;-7.62,3.53,;-6.09,3.37,;-5.77,1.86,;-4.44,1.09,;2.7,-.66,;4.19,-1.08,)|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(OC(F)(F)F)c1 |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(c1)C(F)(F)F |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21Cc2ccccc2C1)-c1cccc(c1)C#N |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCC(C)=C(C)C1)-c1cccc(c1)C#N |c:4,t:21|
COC1CCC2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cc(F)cc(Cl)c2)CC1 |c:22,(8.15,-4.44,;6.61,-4.44,;5.84,-3.11,;4.35,-3.5,;3.57,-2.17,;2.23,-1.43,;1.32,-2.67,;-.14,-2.2,;-1.48,-2.97,;-2.81,-2.2,;-2.81,-.66,;-1.48,.11,;-.14,-.66,;1.32,-.18,;2.65,.59,;2.65,2.13,;3.99,2.9,;1.32,2.9,;1.32,4.44,;-.01,2.13,;-1.35,2.9,;-.01,.59,;-4.15,.11,;-5.48,-.66,;-6.81,.11,;-8.15,-.66,;-6.81,1.65,;-5.48,2.42,;-5.48,3.96,;-4.15,1.65,;3.71,-1.03,;4.49,-2.36,)|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cc(F)ccc2C1)-c1cccc(c1)C#N |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCC(F)(F)CC1)-c1cccc(c1)C#N |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2C1)-c1cccc(c1)C#N |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCCc2ccccc2C1)-c1cccc(c1)C#N |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CC(C=C1)c1ccccc1)-c1cccc(c1)C#N |c:4,20|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2c(C1)ccc(F)c2F)-c1cccc(c1)C#N |c:4|
CCOC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1 |c:21,(8.31,.13,;6.98,-.64,;5.64,.13,;4.16,-.26,;3.76,-1.75,;2.27,-2.15,;1.18,-1.06,;.7,-2.53,;-.84,-2.53,;-1.87,-3.67,;-3.37,-3.35,;-3.85,-1.88,;-2.82,-.74,;-1.31,-1.06,;-.07,-.16,;.84,1.09,;-.07,2.34,;.7,3.67,;-1.53,1.86,;-2.86,2.63,;-1.53,.32,;-5.34,-1.49,;-6.42,-2.58,;-7.91,-2.18,;-8.31,-.69,;-7.22,.4,;-5.73,0,;-7.62,1.89,;-8.02,3.37,;1.58,.43,;3.07,.83,)|
CN1OC2(N=C1N)c1cc(ccc1CC21CCCC1)-c1cccc(c1)C#N |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCOCC1)-c1cccc(c1)C#N |c:4|
COC1CCC2(CC1)CCc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N |c:24,(8.7,.25,;7.93,-1.08,;6.39,-1.08,;5.62,-2.42,;4.08,-2.42,;3.31,-1.08,;4.08,.25,;5.62,.25,;3.31,-2.62,;1.97,-3.39,;.64,-2.62,;-.69,-3.39,;-2.03,-2.62,;-2.03,-1.08,;-.69,-.31,;.64,-1.08,;1.97,-.31,;3.22,.59,;2.74,2.06,;3.51,3.39,;1.2,2.06,;.43,3.39,;.73,.59,;-3.36,-.31,;-3.36,1.23,;-4.7,2,;-6.03,1.23,;-6.03,-.31,;-4.7,-1.08,;-7.36,-1.08,;-8.7,-1.85,)|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2c(F)cccc2C1)-c1cccc(c1)C#N |c:4|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)C#CC2CC2)CC1 |r,wD:5.5,2.1,c:22,(8.5,-4.47,;6.96,-4.47,;6.19,-3.14,;4.65,-2.35,;3.73,-.89,;2.08,-1.4,;1.17,-2.64,;-.29,-2.17,;-1.63,-2.94,;-2.96,-2.17,;-2.96,-.63,;-1.63,.14,;-.29,-.63,;1.17,-.15,;2.51,.62,;2.51,2.16,;3.84,2.93,;1.17,2.93,;1.17,4.47,;-.16,2.16,;-1.5,2.93,;-.16,.62,;-4.29,.14,;-5.63,.91,;-6.96,1.68,;-7.73,3.02,;-8.5,1.68,;3.62,-2.18,;4.54,-3.64,)|
CN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1 |c:3|
CO[C@@H]1CC2(C[C@@H]1OC)Cc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N |r,c:24|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cccc(c2)C#N)CC1 |r,wD:5.5,2.1,c:22,(7.48,-4.36,;5.94,-4.36,;5.17,-3.03,;3.82,-2.28,;3.05,-.95,;1.56,-1.35,;.65,-2.59,;-.81,-2.12,;-2.14,-2.89,;-3.48,-2.12,;-3.48,-.58,;-2.14,.19,;-.81,-.58,;.65,-.1,;2.14,.3,;2.54,1.78,;4.03,2.18,;1.45,2.87,;1.85,4.36,;-.04,2.47,;-1.13,3.56,;-.44,.99,;-4.81,.19,;-6.15,-.58,;-7.48,.19,;-7.48,1.73,;-6.15,2.5,;-4.81,1.73,;-6.15,4.04,;-4.61,4.04,;2.9,-2.1,;3.68,-3.43,)|
COC1CCC2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cccnc2)CC1 |c:22,(7.48,-4.44,;5.94,-4.44,;5.17,-3.11,;3.68,-3.5,;2.9,-2.17,;1.56,-1.43,;.65,-2.67,;-.81,-2.2,;-2.14,-2.97,;-3.48,-2.2,;-3.48,-.66,;-2.14,.11,;-.81,-.66,;.65,-.18,;1.99,.59,;1.99,2.13,;3.32,2.9,;.65,2.9,;.65,4.44,;-.68,2.13,;-2.01,2.9,;-.68,.59,;-4.81,.11,;-6.15,-.66,;-7.48,.11,;-7.48,1.65,;-6.15,2.42,;-4.81,1.65,;3.05,-1.03,;3.82,-2.36,)|
CN1O[C@]2(N=C1N)c1cc(ccc1C[C@]21CCc2ccccc2C1)-c1cccc(c1)C#N |r,c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21Cc2cccc3cccc(C1)c23)-c1cccc(c1)C#N |c:4|
CN1OC2(N=C1N)c1cc(ccc1CCC21CCc2ccccc2CC1)-c1cccc(c1)C#N |c:4|
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22CC(=O)N(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:23,(6.15,-4.36,;4.61,-4.36,;3.84,-3.03,;2.49,-2.28,;1.71,-.95,;.22,-1.35,;-.68,-2.59,;-2.14,-2.12,;-3.48,-2.89,;-4.81,-2.12,;-4.81,-.58,;-6.15,.19,;-3.48,.19,;-2.14,-.58,;-.68,-.1,;.81,.3,;1.21,1.78,;2.69,2.18,;.12,2.87,;.52,4.36,;-1.37,2.47,;-2.46,3.56,;-1.77,.99,;1.57,-2.1,;2.35,-3.43,)|
CO[C@H]1CC[C@]2(Cc3ccc(cc3C22CC(=O)N(C)C(N)=N2)-c2cccc(c2)C#N)CC1 |r,wU:2.1,wD:5.5,c:22,(7.48,-1.69,;5.94,-1.69,;5.17,-3.03,;3.68,-3.43,;2.9,-2.1,;1.56,-1.35,;.65,-2.59,;-.81,-2.12,;-2.14,-2.89,;-3.48,-2.12,;-3.48,-.58,;-2.14,.19,;-.81,-.58,;.65,-.1,;2.14,.3,;2.54,1.78,;4.03,2.18,;1.45,2.87,;1.85,4.36,;-.04,2.47,;-1.13,3.56,;-.44,.99,;-4.81,.19,;-6.15,-.58,;-7.48,.19,;-7.48,1.73,;-6.15,2.5,;-4.81,1.73,;-6.15,4.04,;-4.61,4.04,;3.05,-.95,;3.82,-2.28,)|
CO[C@H]1CC[C@]2(Cc3ccc(Br)cc3C22CC(=O)N(C)C(N)=N2)CC1 |r,wU:2.1,wD:5.5,c:23,(6.15,-1.69,;4.61,-1.69,;3.84,-3.03,;2.35,-3.43,;1.57,-2.1,;.22,-1.35,;-.68,-2.59,;-2.14,-2.12,;-3.48,-2.89,;-4.81,-2.12,;-4.81,-.58,;-6.15,.19,;-3.48,.19,;-2.14,-.58,;-.68,-.1,;.81,.3,;1.21,1.78,;2.69,2.18,;.12,2.87,;.52,4.36,;-1.37,2.47,;-2.46,3.56,;-1.77,.99,;1.71,-.95,;2.49,-2.28,)|
CN1OC2(N=C1N)c1cc(Br)ccc1OC21CCc2ccccc2CC1 |c:4|
COC1CCC2(CC1)Oc1ccc(cc1C21ON(C)C(N)=N1)-c1cccc(c1)C#N |c:23,(30.51,-40.36,;29.17,-41.13,;27.84,-40.36,;26.75,-41.45,;25.41,-40.68,;23.87,-40.68,;24.96,-39.59,;26.3,-40.36,;22.97,-41.93,;21.5,-41.45,;20.17,-42.22,;18.84,-41.45,;18.84,-39.91,;20.17,-39.14,;21.5,-39.91,;22.97,-39.44,;24.43,-38.96,;24.43,-37.42,;25.77,-36.65,;22.97,-36.95,;22.2,-35.61,;22.06,-38.19,;17.5,-39.14,;16.17,-39.91,;14.84,-39.14,;14.84,-37.6,;16.17,-36.78,;17.5,-37.6,;16.17,-35.24,;16.17,-33.7,)|
CN1OC2(CC3(CCOCC3)c3ccc(cc23)-c2cccc(c2)C#N)N=C1N |c:29|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#CC2CC2)CC1 |t:16,(8.4,-1.61,;7.47,-2.84,;5.94,-2.65,;4.45,-3.05,;3.67,-1.72,;2.33,-.97,;1.42,-2.21,;-.04,-1.74,;-1.37,-2.51,;-2.71,-1.74,;-2.71,-.2,;-1.37,.57,;-.04,-.2,;1.42,.28,;.18,1.18,;.65,2.65,;-.12,3.98,;2.19,2.65,;2.96,3.98,;2.67,1.18,;4,.41,;-4.04,.57,;-5.38,1.34,;-6.71,2.11,;-7.48,3.45,;-8.25,2.11,;3.82,-.57,;4.59,-1.9,)|
CN1OC2(N=C1N)c1cc(ccc1CC21CCCCC1)-c1cccc(c1)C#N |c:4|
COC1CCC2(Cc3ccc(Br)cc3C22ON(C)C(N)=N2)CC1 |c:21,(8.3,-3.95,;7.98,-5.46,;6.51,-5.93,;5.37,-4.9,;4.06,-5.53,;3.58,-6.88,;3.11,-8.35,;1.57,-8.35,;.54,-9.49,;-.97,-9.17,;-1.45,-7.71,;-2.95,-7.39,;-.41,-6.56,;1.09,-6.88,;2.34,-5.98,;3.58,-5.07,;3.11,-3.61,;3.88,-2.27,;1.57,-3.61,;.8,-2.27,;1.09,-5.07,;4.73,-7.91,;6.19,-7.44,)|
CC(C)(C)[Si](OC1CCC2(Cc3ccc(cc3C2=O)-c2cccc(c2)C#N)CC1)(c1ccccc1)c1ccccc1 |(-.36,-5.81,;.67,-4.67,;-.48,-3.64,;1.81,-5.7,;1.7,-3.53,;.55,-2.49,;-.91,-2.97,;-2.06,-1.94,;-3.52,-2.42,;-3.84,-3.92,;-4.21,-5.07,;-5.42,-5.07,;-6.23,-5.97,;-7.42,-5.72,;-7.79,-4.57,;-6.98,-3.67,;-5.8,-3.92,;-4.82,-3.21,;-4.82,-2,;-8.98,-4.32,;-9.78,-5.22,;-10.97,-4.97,;-11.34,-3.82,;-10.76,-2.36,;-9.35,-3.17,;-11.26,-.91,;-11.77,.54,;-2.7,-4.95,;-1.23,-4.48,;2.73,-2.38,;2.25,-.92,;3.28,.23,;4.79,-.09,;5.27,-1.56,;4.23,-2.7,;2.84,-4.56,;4.31,-4.08,;5.45,-5.11,;5.13,-6.62,;3.67,-7.09,;2.52,-6.06,)|
CN1OC2(N=C1N)c1cc(ccc1CC21CCC(CC1)NCC(F)(F)F)-c1cccc(c1)C#N |c:4,(18.84,-10.48,;18.07,-11.81,;18.54,-13.28,;17.3,-14.18,;16.05,-13.28,;16.53,-11.81,;15.76,-10.48,;16.05,-15.09,;14.55,-14.77,;13.52,-15.91,;13.99,-17.38,;15.5,-17.7,;16.53,-16.55,;18.07,-16.55,;18.54,-15.09,;20.02,-14.67,;21.51,-15.09,;22.28,-13.76,;20.8,-14.18,;19.31,-13.76,;23.62,-14.53,;23.62,-16.07,;24.95,-16.84,;26.29,-17.61,;24.18,-18.17,;25.72,-15.5,;12.01,-15.59,;10.98,-16.74,;9.47,-16.42,;9,-14.95,;9.97,-13.73,;11.53,-14.13,;9.48,-12.27,;8.98,-10.81,)|
CN1OC2(N=C1N)c1cc(ccc1CC21CC[C@@H](CC1)NCC(F)(F)F)-c1cccc(c1)C#N |r,wU:17.23,c:4,(18.84,-10.48,;18.07,-11.82,;18.55,-13.28,;17.3,-14.18,;16.05,-13.28,;16.53,-11.82,;15.76,-10.48,;16.05,-15.09,;14.55,-14.77,;13.52,-15.91,;13.99,-17.38,;15.5,-17.7,;16.53,-16.55,;18.07,-16.55,;18.55,-15.09,;20.03,-14.67,;21.52,-15.09,;22.29,-13.76,;20.8,-14.18,;19.32,-13.76,;22.45,-12.22,;23.85,-11.6,;24.01,-10.07,;24.18,-8.54,;25.55,-10.23,;22.48,-9.91,;12.01,-15.59,;10.98,-16.74,;9.47,-16.42,;9,-14.95,;9.97,-13.73,;11.53,-14.13,;9.48,-12.27,;8.99,-10.81,)|
CN1OC2(N=C1N)c1cc(ccc1CC21CCC(CC1)OC(F)F)C#CC1CC1 |c:4,(11.7,-9.34,;11.08,-10.74,;11.85,-12.08,;10.82,-13.22,;9.41,-12.59,;9.57,-11.06,;8.43,-10.03,;9.79,-14.37,;8.25,-14.37,;7.48,-15.7,;8.25,-17.03,;9.79,-17.03,;10.56,-15.7,;12.06,-15.38,;12.22,-13.85,;13.7,-13.42,;15.19,-13.85,;15.96,-12.51,;14.48,-12.94,;12.99,-12.51,;17.3,-13.28,;17.3,-14.44,;18.3,-15.02,;16.21,-15.53,;5.94,-15.7,;4.4,-15.7,;2.86,-15.7,;1.52,-14.93,;1.52,-16.47,)|
CN1OC2(N=C1N)c1cc(ccc1CC21CCC(CC1)OC(F)F)-c1cccc(c1)C#N |c:4,(11.14,-6.42,;10.37,-7.76,;10.85,-9.22,;9.6,-10.13,;8.35,-9.22,;8.83,-7.76,;8.06,-6.42,;8.35,-11.03,;6.85,-10.71,;5.82,-11.86,;6.29,-13.32,;7.8,-13.64,;8.83,-12.5,;10.37,-12.5,;10.85,-11.03,;12.33,-10.61,;13.82,-11.03,;14.59,-9.7,;13.11,-10.12,;11.62,-9.7,;15.92,-10.47,;17.25,-9.7,;18.59,-10.47,;17.25,-8.16,;4.31,-11.54,;3.28,-12.68,;1.77,-12.36,;1.3,-10.9,;2.27,-9.67,;3.84,-10.07,;1.78,-8.22,;1.29,-6.76,)|
COC1CCC2(Cc3ccc(OCC(F)(F)F)cc3C22ON(C(C)C)C(N)=N2)CC1 |c:28,(11.01,-23.76,;9.68,-24.53,;8.34,-23.76,;7.25,-24.85,;5.91,-24.09,;4.38,-24.09,;3.47,-25.34,;2.01,-24.86,;.67,-25.63,;-.66,-24.86,;-.66,-23.32,;-2,-22.55,;-3.33,-23.32,;-4.66,-22.55,;-6,-23.32,;-4.66,-21.01,;-6,-21.78,;.67,-22.55,;2.01,-23.32,;3.47,-22.84,;4.93,-22.37,;4.93,-20.83,;6.02,-19.74,;7.51,-20.14,;5.63,-18.25,;3.47,-20.35,;2.7,-19.02,;2.56,-21.6,;5.46,-23,;6.8,-23.76,)|
CN1OC2(N=C1N)c1cc(ccc1OC21CCc2ccccc2CC1)-c1cc(F)cc(Cl)c1 |c:4|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(c2)C#N)CC1 |c:20,(24.72,-14.84,;23.82,-13.6,;22.29,-13.76,;21.52,-15.09,;20.03,-14.67,;18.55,-15.09,;18.07,-16.55,;16.53,-16.55,;15.5,-17.7,;13.99,-17.38,;13.52,-15.91,;14.55,-14.77,;16.05,-15.09,;17.3,-14.18,;18.55,-13.28,;18.07,-11.82,;18.84,-10.48,;16.53,-11.82,;15.76,-10.48,;16.05,-13.28,;12.01,-15.59,;10.98,-16.74,;9.47,-16.42,;9,-14.95,;9.97,-13.73,;11.53,-14.13,;9.48,-12.27,;8.99,-10.81,;19.32,-13.76,;20.8,-14.18,)|
Brc1ccc(CC2(CCc3ccccc3CC2)C#N)c(I)c1
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccnn2)CC1 |c:20,(7.51,-20.55,;6.94,-21.55,;5.78,-21.55,;5.2,-20.55,;4.05,-20.55,;3.47,-21.55,;2.56,-22.8,;1.1,-22.32,;-.23,-23.09,;-1.57,-22.32,;-1.57,-20.78,;-.23,-20.01,;1.1,-20.78,;2.56,-20.31,;4.03,-19.83,;4.03,-18.29,;5.36,-17.52,;2.56,-17.82,;1.79,-16.48,;1.66,-19.06,;-2.9,-20.01,;-4.23,-20.78,;-5.57,-20.01,;-5.57,-18.47,;-4.23,-17.7,;-2.9,-18.47,;4.05,-22.55,;5.2,-22.55,)|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cnccn2)CC1 |c:20,(7.61,-14.35,;7.03,-15.35,;5.88,-15.35,;5.3,-14.35,;4.15,-14.35,;3.57,-15.35,;2.66,-16.6,;1.2,-16.12,;-.14,-16.89,;-1.47,-16.12,;-1.47,-14.58,;-.14,-13.81,;1.2,-14.58,;2.66,-14.11,;4.13,-13.63,;4.13,-12.09,;5.46,-11.32,;2.66,-11.61,;1.89,-10.28,;1.76,-12.86,;-2.8,-13.81,;-2.8,-12.27,;-4.14,-11.5,;-5.47,-12.27,;-5.47,-13.81,;-4.14,-14.58,;4.14,-16.35,;5.3,-16.35,)|
COC1CCC2(Cc3ccc(OCC4CC4)cc3C22ON(C)C(N)=N2)CC1 |c:26,(10.32,-19.99,;8.99,-20.76,;7.65,-19.99,;6.56,-21.08,;5.23,-20.32,;3.69,-20.32,;2.78,-21.56,;1.32,-21.09,;-.02,-21.86,;-1.35,-21.09,;-1.35,-19.55,;-2.68,-18.78,;-4.02,-19.55,;-5.35,-18.78,;-6.12,-17.44,;-6.89,-18.78,;-.02,-18.78,;1.32,-19.55,;2.78,-19.07,;4.25,-18.6,;4.25,-17.06,;5.58,-16.29,;2.78,-16.58,;2.01,-15.25,;1.88,-17.83,;4.78,-19.23,;6.11,-19.99,)|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cncc(OC)n2)CC1 |c:20,(7.52,-6.31,;6.95,-7.31,;5.79,-7.31,;5.21,-6.31,;4.06,-6.31,;3.48,-7.31,;2.57,-8.56,;1.11,-8.08,;-.22,-8.85,;-1.56,-8.08,;-1.56,-6.54,;-.22,-5.77,;1.11,-6.54,;2.57,-6.07,;4.04,-5.59,;4.04,-4.05,;5.29,-3.15,;2.57,-3.57,;1.8,-2.24,;1.67,-4.82,;-2.89,-5.77,;-2.89,-4.23,;-4.22,-3.46,;-5.56,-4.23,;-5.56,-5.77,;-6.89,-6.54,;-8.23,-5.77,;-4.22,-6.54,;4.06,-8.31,;5.21,-8.31,)|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#Cc2ccccc2)CC1 |c:20,(10.04,-6.43,;8.71,-7.2,;7.37,-6.43,;6.29,-7.52,;4.95,-6.76,;3.41,-6.76,;2.5,-8,;1.04,-7.53,;-.3,-8.3,;-1.63,-7.53,;-1.63,-5.99,;-.3,-5.22,;1.04,-5.99,;2.5,-5.51,;3.97,-5.04,;3.97,-3.5,;5.21,-2.59,;2.5,-3.02,;1.73,-1.69,;1.6,-4.27,;-2.96,-5.22,;-4.3,-4.45,;-5.63,-3.68,;-5.63,-2.14,;-6.96,-1.37,;-8.3,-2.14,;-8.3,-3.68,;-6.96,-4.45,;4.5,-5.67,;5.84,-6.43,)|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC(C)(C)C)CC1 |c:20,(10.04,-6.43,;8.71,-7.2,;7.37,-6.43,;6.29,-7.52,;4.95,-6.76,;3.41,-6.76,;2.5,-8,;1.04,-7.53,;-.3,-8.3,;-1.63,-7.53,;-1.63,-5.99,;-.3,-5.22,;1.04,-5.99,;2.5,-5.51,;3.97,-5.04,;3.97,-3.5,;5.21,-2.59,;2.5,-3.02,;1.73,-1.69,;1.6,-4.27,;-2.96,-5.22,;-4.3,-4.45,;-5.63,-3.68,;-5.63,-2.14,;-6.96,-4.45,;-6.96,-2.91,;4.5,-5.67,;5.84,-6.43,)|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC2CCCC2)CC1 |c:20,(10.04,-6.28,;8.71,-7.05,;7.37,-6.28,;6.29,-7.37,;4.95,-6.61,;3.41,-6.61,;2.5,-7.86,;1.04,-7.38,;-.3,-8.15,;-1.63,-7.38,;-1.63,-5.84,;-.3,-5.07,;1.04,-5.84,;2.5,-5.36,;3.97,-4.89,;3.97,-3.35,;5.21,-2.44,;2.5,-2.87,;1.73,-1.54,;1.6,-4.12,;-2.96,-5.07,;-4.3,-4.3,;-5.63,-3.53,;-5.63,-1.99,;-7.09,-1.51,;-8,-2.76,;-7.09,-4.01,;4.5,-5.52,;5.84,-6.28,)|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC(F)(F)F)CC1 |c:20,(4.78,1.49,;3.44,.72,;2.11,1.49,;1.02,.4,;-.32,1.16,;-1.86,1.16,;-2.76,-.08,;-4.23,.39,;-5.56,-.38,;-6.89,.39,;-6.89,1.93,;-5.56,2.7,;-4.23,1.93,;-2.76,2.41,;-1.3,2.88,;-1.3,4.42,;-.05,5.33,;-2.76,4.9,;-3.53,6.23,;-3.67,3.65,;-8.23,2.7,;-9.56,3.47,;-10.89,4.24,;-10.89,5.78,;-12.23,5.01,;-11.98,3.15,;-.77,2.25,;.57,1.49,)|
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cncs2)CC1 |c:20,(9.88,-8.45,;8.54,-9.22,;7.21,-8.45,;6.12,-9.54,;4.78,-8.77,;3.24,-8.77,;2.34,-10.02,;.87,-9.54,;-.46,-10.31,;-1.8,-9.54,;-1.8,-8,;-.46,-7.23,;.87,-8,;2.34,-7.53,;3.8,-7.05,;3.8,-5.51,;5.14,-4.74,;2.34,-5.04,;1.57,-3.7,;1.43,-6.28,;-3.13,-7.23,;-3.13,-5.69,;-4.59,-5.22,;-5.5,-6.46,;-4.59,-7.71,;4.33,-7.68,;5.67,-8.45,)|
COC1CCC2(Cc3ccc(CCC4CC4)cc3C22ON(C)C(N)=N2)CC1 |c:26,(10.32,-19.39,;8.99,-20.16,;7.66,-19.39,;6.57,-20.48,;5.23,-19.72,;3.69,-19.72,;2.79,-20.96,;1.32,-20.49,;-.01,-21.26,;-1.35,-20.49,;-1.35,-18.95,;-2.68,-18.18,;-4.01,-18.95,;-5.35,-18.18,;-6.89,-18.18,;-6.12,-16.85,;-.01,-18.18,;1.32,-18.95,;2.79,-18.47,;4.25,-18,;4.25,-16.46,;5.58,-15.69,;2.79,-15.98,;2.02,-14.65,;1.88,-17.23,;4.78,-18.63,;6.12,-19.39,)|
COC1CCC2(Cc3ccc(OCC(F)(F)F)cc3C22ON(C)C(N)=N2)CC1 |c:26,(10.74,-23.08,;9.4,-23.85,;8.07,-23.08,;6.98,-24.17,;5.65,-23.38,;4.11,-23.4,;3.2,-24.65,;1.74,-24.17,;.41,-24.94,;-.93,-24.17,;-.93,-22.63,;-2.26,-21.86,;-3.59,-22.63,;-4.93,-21.86,;-6.26,-22.63,;-4.93,-20.32,;-4.93,-23.4,;.41,-21.86,;1.74,-22.63,;3.2,-22.16,;4.67,-21.68,;4.67,-20.14,;6,-19.37,;3.2,-19.66,;2.43,-18.33,;2.3,-20.91,;5.2,-22.31,;6.53,-23.11,)|
CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCC(Cc2ccccc2)CC1 |c:4,(6,-19.37,;4.67,-20.14,;4.67,-21.68,;3.2,-22.16,;2.3,-20.91,;3.2,-19.66,;2.43,-18.33,;1.74,-22.63,;.41,-21.86,;-.93,-22.63,;-2.26,-21.86,;-.93,-24.17,;.41,-24.94,;1.74,-24.17,;3.2,-24.65,;4.11,-23.4,;5.65,-23.38,;6.98,-24.17,;8.07,-23.08,;8.39,-21.57,;9.85,-21.1,;11,-22.13,;12.46,-21.65,;12.78,-20.15,;11.64,-19.12,;10.17,-19.59,;6.53,-23.11,;5.2,-22.31,)|
CN1OC2(N=C1N)c1cc(ccc1CC21CCC(Cc2ccccc2)CC1)-c1cccc(c1)C#N |c:4,(6,-19.37,;4.67,-20.14,;4.67,-21.68,;3.2,-22.16,;2.3,-20.91,;3.2,-19.66,;2.43,-18.33,;1.74,-22.63,;.41,-21.86,;-.93,-22.63,;-.93,-24.17,;.41,-24.94,;1.74,-24.17,;3.2,-24.65,;4.11,-23.4,;5.65,-23.38,;6.98,-24.17,;8.07,-23.08,;8.39,-21.57,;9.85,-21.1,;11,-22.13,;12.46,-21.65,;12.78,-20.15,;11.64,-19.12,;10.17,-19.59,;6.53,-23.11,;5.2,-22.31,;-2.26,-21.86,;-3.59,-22.63,;-4.93,-21.86,;-4.93,-20.32,;-3.59,-19.55,;-2.26,-20.32,;-3.59,-18.01,;-3.59,-16.47,)|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnn1 |c:4|
COC1CCC2(CC1)Oc1ccc(CCC3CC3)cc1C21NC(=S)N(C)C1=O |(4.98,-11.73,;3.64,-12.5,;2.31,-11.73,;1.22,-12.82,;-.11,-12.02,;-1.65,-12.05,;-.56,-10.96,;.77,-11.75,;-2.56,-13.29,;-4.02,-12.82,;-5.35,-13.59,;-6.69,-12.82,;-6.69,-11.28,;-8.02,-10.51,;-8.02,-8.97,;-9.35,-8.2,;-10.12,-6.86,;-10.89,-8.2,;-5.35,-10.51,;-4.02,-11.28,;-2.56,-10.8,;-3.46,-9.56,;-2.56,-8.31,;-3.33,-6.98,;-1.09,-8.79,;.24,-8.02,;-1.09,-10.33,;.45,-10.33,)|
COC1CCC2(CC1)Oc1ccc(Br)cc1C21NC(=S)N(C)C1=O |(3.43,-13.38,;2.1,-14.15,;.76,-13.38,;-.33,-14.46,;-1.66,-13.67,;-3.2,-13.7,;-2.11,-12.61,;-.78,-13.4,;-4.1,-14.94,;-5.57,-14.47,;-6.9,-15.24,;-8.23,-14.47,;-8.23,-12.93,;-9.57,-12.16,;-6.9,-12.16,;-5.57,-12.93,;-4.1,-12.45,;-5.35,-11.54,;-4.87,-10.08,;-5.64,-8.75,;-3.33,-10.08,;-2.56,-8.75,;-2.85,-11.54,;-1.52,-12.31,)|
COC1CCC2(CC1)Oc1ccc(Br)cc1C21N=C(N)N(C)C1=O |t:20,(3.47,-13.13,;2.14,-13.9,;.81,-13.13,;-.28,-14.22,;-1.62,-13.46,;-3.16,-13.46,;-2.07,-12.37,;-.73,-13.13,;-4.07,-14.71,;-5.53,-14.23,;-6.86,-15,;-8.2,-14.23,;-8.2,-12.69,;-9.53,-11.92,;-6.86,-11.92,;-5.53,-12.69,;-4.07,-12.21,;-4.97,-10.97,;-4.07,-9.72,;-4.84,-8.39,;-2.6,-10.2,;-1.27,-9.43,;-2.6,-11.74,;-1.11,-12.14,)|
COC1CCC2(CC1)Oc1ccc(cc1C21N=C(N)N(C)C1=O)-c1cccc(c1)C#N |t:19,(3.47,-13.13,;2.14,-13.9,;.81,-13.13,;-.28,-14.22,;-1.62,-13.46,;-3.16,-13.46,;-2.07,-12.37,;-.73,-13.13,;-4.07,-14.71,;-5.53,-14.23,;-6.86,-15,;-8.2,-14.23,;-8.2,-12.69,;-6.86,-11.92,;-5.53,-12.69,;-4.07,-12.21,;-4.97,-10.97,;-4.07,-9.72,;-4.84,-8.39,;-2.6,-10.2,;-1.27,-9.43,;-2.6,-11.74,;-1.11,-12.14,;-9.53,-11.92,;-10.86,-12.69,;-12.2,-11.92,;-12.2,-10.38,;-10.86,-9.61,;-9.53,-10.38,;-10.86,-8.07,;-9.38,-7.67,)|
COC1CCC2(CC1)Oc1ccc(cc1C21N=C(N)N(C)C1=O)-c1cccc(OC)c1 |t:19,(-.52,11.15,;-1.85,10.38,;-3.18,11.15,;-4.27,10.06,;-5.61,10.82,;-7.15,10.82,;-6.06,11.91,;-4.72,11.15,;-8.06,9.58,;-9.52,10.05,;-10.85,9.28,;-12.19,10.05,;-12.19,11.59,;-10.85,12.36,;-9.52,11.59,;-8.06,12.07,;-8.96,13.31,;-8.06,14.56,;-8.83,15.89,;-6.59,14.08,;-5.26,14.85,;-6.59,12.54,;-5.1,12.15,;-13.52,12.36,;-14.86,11.59,;-16.19,12.36,;-16.19,13.9,;-14.86,14.67,;-14.86,16.21,;-13.52,16.98,;-13.52,13.9,)|
COC1CCC2(CC1)Oc1ccc(OCC3CC3)cc1C21NC(=S)N(C)C1=O |(5.1,-5.62,;3.76,-6.39,;2.43,-5.62,;1.34,-6.71,;0,-5.94,;-1.54,-5.94,;-.45,-4.85,;.89,-5.62,;-2.44,-7.19,;-3.91,-6.71,;-5.24,-7.48,;-6.58,-6.71,;-6.58,-5.17,;-7.91,-4.4,;-9.24,-5.17,;-10.58,-4.4,;-11.35,-3.07,;-12.12,-4.4,;-5.24,-4.4,;-3.91,-5.17,;-2.44,-4.7,;-3.69,-3.79,;-3.21,-2.33,;-3.98,-.99,;-1.67,-2.33,;-.9,-.99,;-1.2,-3.79,;.14,-4.56,)|
COC1CCC2(CC1)Oc1ccc(OCC(F)(F)F)cc1C21NC(=S)N(C)C1=O |(4.46,-5.57,;3.12,-6.34,;1.79,-5.57,;.7,-6.66,;-.64,-5.9,;-2.18,-5.9,;-1.09,-4.81,;.25,-5.57,;-3.08,-7.14,;-4.55,-6.67,;-5.88,-7.44,;-7.21,-6.67,;-7.21,-5.13,;-8.55,-4.36,;-9.88,-5.13,;-11.21,-4.36,;-11.21,-2.82,;-12.55,-5.13,;-12.55,-3.59,;-5.88,-4.36,;-4.55,-5.13,;-3.08,-4.65,;-4.33,-3.75,;-3.85,-2.28,;-4.62,-.95,;-2.31,-2.28,;-1.54,-.95,;-1.84,-3.75,;-.5,-4.52,)|
COC1CCC2(Cc3ccc(OCC(F)(F)F)cc3C22N=C(SC)N(C)C2=O)CC1 |t:22,(5.77,-14.36,;4.07,-14.81,;2.98,-13.72,;1.8,-14.71,;.53,-13.83,;-1,-13.68,;-1.9,-14.93,;-3.37,-14.45,;-4.7,-15.22,;-6.04,-14.45,;-6.04,-12.91,;-7.37,-12.14,;-8.7,-12.91,;-10.04,-12.14,;-10.04,-10.6,;-11.37,-12.91,;-11.37,-11.37,;-4.7,-12.14,;-3.37,-12.91,;-1.9,-12.44,;-2.81,-11.19,;-1.9,-9.95,;-2.3,-8.46,;-1.21,-7.37,;-.44,-10.42,;.89,-9.65,;-.44,-11.96,;1.05,-12.36,;.18,-12.7,;1.45,-13.58,)|
CCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)-c1cccc(c1)C#N |c:4,(6.63,-2.98,;5.3,-2.21,;3.97,-2.98,;2.5,-2.51,;1.73,-1.17,;1.6,-3.75,;2.5,-5,;3.97,-4.52,;5.51,-4.52,;1.04,-5.47,;-.3,-4.7,;-1.63,-5.47,;-1.63,-7.01,;-.3,-7.78,;1.04,-7.01,;2.5,-7.49,;3.41,-6.24,;4.95,-6.24,;6.29,-7.01,;7.37,-5.92,;5.84,-5.92,;4.5,-5.15,;8.71,-6.69,;10.04,-5.92,;-2.96,-4.7,;-2.96,-3.16,;-4.3,-2.39,;-5.63,-3.16,;-5.63,-4.7,;-4.3,-5.47,;-6.96,-5.47,;-8.3,-6.24,)|
CCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)-c1cccc(Cl)c1 |c:4,(6.63,-2.98,;5.3,-2.21,;3.97,-2.98,;2.5,-2.51,;1.73,-1.17,;1.6,-3.75,;2.5,-5,;3.97,-4.52,;5.51,-4.52,;1.04,-5.47,;-.3,-4.7,;-1.63,-5.47,;-1.63,-7.01,;-.3,-7.78,;1.04,-7.01,;2.5,-7.49,;3.41,-6.24,;4.95,-6.24,;6.29,-7.01,;7.37,-5.92,;5.84,-5.92,;4.5,-5.15,;8.71,-6.69,;10.04,-5.92,;-2.96,-4.7,;-2.96,-3.16,;-4.3,-2.39,;-5.63,-3.16,;-5.63,-4.7,;-6.96,-5.47,;-4.3,-5.47,)|
CCSC1=NC2(C(=O)N1CC)c1cc(OCC3CC3)ccc1CC21CCC(CC1)OC |t:3,(-5.47,4.63,;-4.7,3.3,;-3.16,3.3,;-2.39,1.96,;-2.87,.5,;-1.62,-.41,;-.38,.5,;.96,-.27,;-.85,1.96,;-.08,3.3,;1.46,3.3,;-3.09,-.88,;-4.42,-.11,;-5.75,-.88,;-7.09,-.11,;-8.42,-.88,;-9.76,-.11,;-11.3,-.11,;-10.53,1.22,;-5.75,-2.42,;-4.42,-3.19,;-3.09,-2.42,;-1.62,-2.9,;-.72,-1.65,;.82,-1.65,;2.16,-2.41,;3.25,-1.33,;1.71,-1.33,;.37,-.56,;4.34,-2.41,;5.83,-2.02,)|
CCSC1=NC2(C(=O)N1CC)c1cc(ccc1CC21CCC(CC1)OC)C#CC1CC1 |t:3,(1.33,-3.29,;-.16,-2.89,;-1.25,-3.98,;-.85,-5.47,;-1.75,-6.72,;-.85,-7.96,;.62,-7.49,;1.95,-8.26,;.62,-5.95,;1.95,-5.18,;3.28,-5.95,;-2.31,-8.44,;-3.65,-7.67,;-4.98,-8.44,;-4.98,-9.98,;-3.65,-10.75,;-2.31,-9.98,;-.85,-10.45,;.06,-9.21,;1.55,-9.58,;2.65,-10.66,;3.98,-9.89,;2.49,-9.58,;1.39,-8.44,;5.31,-10.66,;6.65,-9.89,;-6.31,-7.67,;-7.65,-6.9,;-8.98,-6.13,;-9.75,-4.79,;-10.52,-6.13,)|
COC1CCC2(Cc3ccc(Br)cc3C22NC(=S)N(Cc3ccccc3)C2=O)CC1 |(4.48,-2.62,;3.14,-3.39,;1.81,-2.62,;.48,-3.39,;-.62,-2.31,;-2.11,-1.94,;-3.02,-3.18,;-4.48,-2.71,;-5.82,-3.48,;-7.15,-2.71,;-7.15,-1.17,;-8.48,-.4,;-5.82,-.4,;-4.48,-1.17,;-3.02,-.69,;-3.92,.56,;-3.02,1.8,;-3.79,3.13,;-1.55,1.33,;-.22,2.1,;1.11,1.33,;1.11,-.21,;2.45,-.98,;3.78,-.21,;3.78,1.33,;2.45,2.1,;-1.55,-.21,;-.22,-.98,;-.78,-1.17,;.32,-2.31,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)-c2cncc(F)c2)CC1 |t:16,(10.04,-5.86,;8.95,-6.95,;7.46,-6.55,;6.37,-7.64,;5.04,-6.88,;3.5,-6.88,;2.59,-8.13,;1.13,-7.65,;-.21,-8.42,;-1.54,-7.65,;-1.54,-6.11,;-.21,-5.34,;1.13,-6.11,;2.59,-5.63,;1.69,-4.39,;2.59,-3.14,;1.82,-1.81,;4.06,-3.62,;5.14,-2.53,;6.63,-2.93,;7.03,-4.42,;8.52,-4.81,;9.61,-3.73,;9.21,-2.24,;7.72,-1.84,;4.06,-5.16,;5.54,-5.56,;-2.87,-5.34,;-2.87,-3.7,;-4.3,-2.88,;-5.72,-3.7,;-5.72,-5.34,;-7.14,-6.16,;-4.3,-6.16,;4.59,-5.79,;5.92,-6.55,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)-c2cncs2)CC1 |t:16,(-11.33,-3.04,;-12.82,-2.64,;-13.21,-1.16,;-14.7,-1.55,;-15.48,-.22,;-16.81,.55,;-17.72,-.7,;-19.18,-.22,;-20.52,-.99,;-21.85,-.22,;-21.85,1.32,;-20.52,2.09,;-19.18,1.32,;-17.72,1.79,;-18.62,3.04,;-17.72,4.28,;-18.49,5.62,;-16.25,3.81,;-15.16,4.9,;-13.68,4.5,;-13.28,3.01,;-11.79,2.61,;-10.7,3.7,;-11.1,5.19,;-12.59,5.59,;-16.25,2.27,;-14.77,1.87,;-23.18,2.09,;-23.18,3.63,;-24.65,4.1,;-25.55,2.86,;-24.65,1.61,;-15.33,.94,;-14.55,-.39,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)C#CC2CC2)CC1 |t:16,(6.47,-3.09,;5.14,-3.86,;3.8,-3.09,;2.72,-4.18,;1.38,-3.41,;-.16,-3.41,;-1.07,-4.66,;-2.53,-4.18,;-3.87,-4.95,;-5.2,-4.18,;-5.2,-2.64,;-3.87,-1.87,;-2.53,-2.64,;-1.07,-2.17,;-1.97,-.92,;-1.07,.32,;-1.47,1.81,;.4,-.15,;1.49,.94,;2.97,.54,;3.37,-.95,;4.86,-1.35,;5.95,-.26,;5.55,1.23,;4.06,1.63,;.4,-1.69,;1.88,-2.09,;-6.53,-1.87,;-7.87,-1.1,;-9.2,-.33,;-10.74,-.33,;-9.97,1,;.93,-2.33,;2.26,-3.09,)|
COC1CCC2(Cc3ccc(cc3[C@@]22N=C(N)N(Cc3ccccc3)C2=O)C#CC2CC2)CC1 |r,wU:13.15,t:16,(4.01,-1.82,;2.52,-2.21,;1.43,-1.13,;.1,-1.9,;-.99,-.81,;-2.48,-.41,;-3.39,-1.66,;-4.85,-1.18,;-6.18,-1.95,;-7.52,-1.18,;-7.52,.36,;-6.18,1.13,;-4.85,.36,;-3.39,.83,;-4.29,2.08,;-3.39,3.32,;-4.16,4.66,;-1.92,2.85,;-.83,3.94,;.65,3.54,;1.05,2.05,;2.54,1.65,;3.63,2.74,;3.23,4.23,;1.74,4.63,;-1.92,1.31,;-.38,1.31,;-8.85,1.13,;-10.19,1.9,;-11.52,2.67,;-13.06,2.67,;-12.29,4,;-1.15,.36,;-.05,-.73,)|
COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(Cc3ccccc3)C2=O)C#CC2CC2)CC1 |r,wD:13.15,t:16,(4.01,-1.82,;2.52,-2.21,;1.43,-1.13,;.1,-1.9,;-.99,-.81,;-2.48,-.41,;-3.39,-1.66,;-4.85,-1.18,;-6.18,-1.95,;-7.52,-1.18,;-7.52,.36,;-6.18,1.13,;-4.85,.36,;-3.39,.83,;-4.29,2.08,;-3.39,3.32,;-4.16,4.66,;-1.92,2.85,;-.83,3.94,;.65,3.54,;1.05,2.05,;2.54,1.65,;3.63,2.74,;3.23,4.23,;1.74,4.63,;-1.92,1.31,;-.38,1.31,;-8.85,1.13,;-10.19,1.9,;-11.52,2.67,;-13.06,2.67,;-12.29,4,;-1.15,.36,;-.05,-.73,)|
COC1CCC2(Cc3ccc(cc3C22N=C(SC)N(C)C2=O)C#Cc2ccccc2)CC1 |t:16,(5.97,-17.94,;4.63,-18.71,;3.3,-17.94,;2.21,-19.02,;.87,-18.26,;-.67,-18.26,;-1.57,-19.51,;-3.04,-19.03,;-4.37,-19.8,;-5.7,-19.03,;-5.7,-17.49,;-4.37,-16.72,;-3.04,-17.49,;-1.57,-17.02,;-2.82,-16.11,;-2.34,-14.65,;-3.11,-13.31,;-4.65,-13.31,;-.8,-14.65,;-.03,-13.31,;-.33,-16.11,;1.01,-16.88,;-7.04,-16.72,;-8.37,-15.95,;-9.71,-15.18,;-9.71,-13.64,;-11.04,-12.87,;-12.37,-13.64,;-12.37,-15.18,;-11.04,-15.95,;.42,-17.17,;1.76,-17.94,)|
COC1CCC2(Cc3ccc(cc3C22N=C(SC)N(C)C2=O)C#CC(C)(C)C)CC1 |t:16,(5.81,-15.3,;4.48,-16.07,;3.15,-15.3,;2.06,-16.39,;.72,-15.63,;-.82,-15.63,;-1.73,-16.87,;-3.19,-16.4,;-4.52,-17.17,;-5.86,-16.4,;-5.86,-14.86,;-4.52,-14.09,;-3.19,-14.86,;-1.73,-14.38,;-2.97,-13.48,;-2.5,-12.01,;-3.27,-10.68,;-4.81,-10.68,;-.96,-12.01,;-.19,-10.68,;-.48,-13.48,;.85,-14.25,;-7.19,-14.09,;-8.53,-13.32,;-9.86,-12.55,;-11.19,-13.32,;-9.86,-11.01,;-11.19,-11.78,;.27,-14.54,;1.61,-15.3,)|
COC1CCC2(Cc3ccc(cc3C22N=C(SC)N(C)C2=O)C#CC2CCCC2)CC1 |t:16,(7.49,-17.1,;6.16,-17.87,;4.82,-17.1,;3.49,-17.87,;2.4,-16.79,;.9,-16.42,;-0,-17.66,;-1.47,-17.19,;-2.8,-17.96,;-4.14,-17.19,;-4.14,-15.65,;-2.8,-14.88,;-1.47,-15.65,;-0,-15.17,;-.91,-13.93,;-0,-12.68,;-.4,-11.19,;.69,-10.1,;1.46,-13.16,;2.79,-12.39,;1.46,-14.7,;2.79,-15.47,;-5.47,-14.88,;-6.8,-14.11,;-8.14,-13.34,;-8.14,-11.8,;-9.6,-11.32,;-10.51,-12.57,;-9.6,-13.81,;2.24,-15.65,;3.33,-16.79,)|
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COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N(C(C)C)C2=O)CC1 |t:17,(4.25,-6.47,;2.92,-7.24,;1.59,-6.47,;.5,-7.56,;-.84,-6.8,;-2.38,-6.8,;-3.29,-8.04,;-4.75,-7.57,;-6.08,-8.34,;-7.42,-7.57,;-7.42,-6.03,;-8.75,-5.26,;-6.08,-5.26,;-4.75,-6.03,;-3.29,-5.55,;-4.19,-4.3,;-3.29,-3.06,;-4.06,-1.72,;-1.82,-3.53,;-.73,-2.45,;.75,-2.84,;-1.13,-.96,;-1.82,-5.07,;-.33,-5.47,;-1.29,-5.71,;.05,-6.47,)|
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COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2nc(Br)cs2)CC1 |t:16,(4.06,-9.39,;2.52,-9.39,;1.75,-8.06,;.41,-8.83,;-.68,-7.74,;-2.18,-7.37,;-3.08,-8.61,;-4.54,-8.14,;-5.88,-8.91,;-7.21,-8.14,;-7.21,-6.6,;-5.88,-5.83,;-4.54,-6.6,;-3.08,-6.12,;-3.99,-4.88,;-3.08,-3.63,;-3.85,-2.3,;-1.62,-4.11,;-.53,-3.02,;.96,-3.42,;-.93,-1.53,;-1.62,-5.65,;-.28,-6.42,;-8.55,-5.83,;-8.55,-4.29,;-10.01,-3.81,;-10.78,-2.48,;-10.92,-5.06,;-10.01,-6.3,;-.84,-6.6,;.25,-7.74,)|
COC1CCC2(Cc3ccc(cc3C22NC(=S)N(C)C2=O)-c2cncc(c2)C#CC)CC1 |(5.62,-30.7,;4.08,-30.7,;3.31,-29.36,;1.82,-29.76,;1.04,-28.43,;-.31,-27.68,;-1.21,-28.93,;-2.68,-28.45,;-4.01,-29.22,;-5.34,-28.45,;-5.34,-26.91,;-4.01,-26.14,;-2.68,-26.91,;-1.21,-26.44,;-2.12,-25.19,;-1.21,-23.95,;-1.98,-22.61,;.25,-24.42,;1.59,-23.65,;.25,-25.96,;1.59,-26.73,;-6.68,-26.14,;-8.01,-26.91,;-9.34,-26.14,;-9.34,-24.6,;-8.01,-23.83,;-6.68,-24.6,;-8.01,-22.29,;-8.01,-20.75,;-8.01,-19.21,;1.18,-27.29,;1.96,-28.61,)|
COC1CCC2(Cc3ccc(OCC4CC4)cc3C22NC(=S)N(C(C)C)C2=O)CC1 |(5.94,-5.02,;4.45,-5.42,;3.36,-4.33,;2.27,-5.42,;.93,-4.65,;-.61,-4.65,;-1.51,-5.9,;-2.98,-5.42,;-4.31,-6.19,;-5.64,-5.42,;-5.64,-3.88,;-6.98,-3.11,;-8.31,-3.88,;-9.65,-3.11,;-10.42,-1.78,;-11.19,-3.11,;-4.31,-3.11,;-2.98,-3.88,;-1.51,-3.41,;-2.42,-2.16,;-1.51,-.92,;-2.28,.42,;-.05,-1.39,;1.29,-.62,;1.29,.92,;2.62,-1.39,;-.05,-2.93,;1.44,-3.33,;.48,-3.57,;1.82,-4.33,)|
COC1CCC2(Cc3ccc(OCC4CC4)cc3C22NC(=S)N(C(C)C)C2=O)CC1 |(6.36,-1.92,;4.87,-2.32,;3.79,-1.23,;2.7,-2.32,;1.36,-1.55,;-.18,-1.55,;-1.09,-2.8,;-2.55,-2.32,;-3.88,-3.09,;-5.22,-2.32,;-5.22,-.78,;-6.55,-.01,;-7.89,-.78,;-9.22,-.01,;-9.99,1.32,;-10.76,-.01,;-3.88,-.01,;-2.55,-.78,;-1.09,-.31,;-1.99,.94,;-1.09,2.18,;-1.86,3.52,;.38,1.71,;1.71,2.48,;1.71,4.02,;3.05,1.71,;.38,.17,;1.87,-.23,;.91,-.47,;2.25,-1.23,)|
CO[C@H]1CCC2(Cc3ccc(OCC4CC4)cc3C22NC(=S)N(C(C)C)C2=O)CC1 |r,wU:2.1,(4.48,1.35,;4.87,-.14,;3.79,-1.23,;2.7,-2.32,;1.36,-1.55,;-.18,-1.55,;-1.09,-2.8,;-2.55,-2.32,;-3.88,-3.09,;-5.22,-2.32,;-5.22,-.78,;-6.55,-.01,;-7.89,-.78,;-9.22,-.01,;-9.99,1.32,;-10.76,-.01,;-3.88,-.01,;-2.55,-.78,;-1.09,-.31,;-1.99,.94,;-1.09,2.18,;-1.86,3.52,;.38,1.71,;1.71,2.48,;1.71,4.02,;3.05,1.71,;.38,.17,;1.87,-.23,;.91,-.47,;2.25,-1.23,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(Cl)c2)CC1 |t:16|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2ccc(F)c(Cl)c2)CC1 |t:16,(9.19,-7.16,;8.45,-8.44,;6.97,-8.44,;6.24,-7.16,;4.76,-7.16,;4.02,-8.44,;3.11,-9.68,;1.65,-9.21,;.31,-9.98,;-1.02,-9.21,;-1.02,-7.67,;.31,-6.9,;1.65,-7.67,;3.11,-7.19,;1.86,-6.29,;2.34,-4.82,;1.57,-3.49,;3.88,-4.82,;4.65,-3.49,;4.36,-6.29,;5.69,-7.06,;-2.35,-6.9,;-3.69,-7.67,;-5.02,-6.9,;-5.02,-5.36,;-6.36,-4.59,;-3.69,-4.59,;-3.69,-3.05,;-2.35,-5.36,;4.76,-9.72,;6.23,-9.72,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2ccc(F)c(c2)C#N)CC1 |t:16|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(cc(c2)C#N)C#N)CC1 |t:16,(9.67,-7.71,;8.89,-9.03,;7.35,-9.02,;6.59,-7.68,;5.05,-7.67,;4.27,-9,;3.37,-7.75,;1.9,-8.22,;.57,-7.44,;-.77,-8.2,;-.78,-9.74,;.55,-10.52,;1.89,-9.76,;3.35,-10.24,;2.44,-11.48,;3.34,-12.73,;2.85,-14.2,;4.8,-12.27,;6.04,-13.18,;4.81,-10.73,;6.07,-9.83,;-2.11,-10.5,;-2.12,-12.04,;-3.46,-12.8,;-4.79,-12.02,;-4.78,-10.48,;-3.44,-9.72,;-6.11,-9.7,;-7.44,-8.92,;-3.47,-14.34,;-3.48,-15.88,;5.09,-10.13,;6.57,-10.35,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(F)cc(c2)C(F)(F)F)CC1 |t:16|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(Cl)cc(Cl)c2)CC1 |t:16,(9.31,-6.45,;8.55,-7.76,;7.04,-7.76,;6.28,-6.45,;4.77,-6.45,;4.02,-7.76,;3.11,-9.01,;1.65,-8.53,;.31,-9.3,;-1.02,-8.53,;-1.02,-6.99,;.31,-6.22,;1.65,-6.99,;3.11,-6.52,;1.87,-5.61,;2.34,-4.15,;1.57,-2.81,;3.88,-4.15,;4.65,-2.81,;4.36,-5.61,;5.75,-5.39,;-2.35,-6.22,;-2.35,-4.68,;-3.69,-3.91,;-3.69,-2.37,;-5.02,-4.68,;-5.02,-6.22,;-6.36,-6.99,;-3.69,-6.99,;4.77,-9.07,;6.28,-9.07,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(F)cc(F)c2)CC1 |t:16|
COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N(C)C2=O)CC1 |t:17,(3.7,2.93,;2.37,2.16,;1.04,2.93,;-.07,1.86,;-1.39,2.67,;-2.93,2.67,;-3.83,1.43,;-5.3,1.9,;-6.63,1.13,;-7.96,1.9,;-7.96,3.44,;-9.3,4.21,;-6.63,4.21,;-5.3,3.44,;-3.83,3.92,;-5.08,4.82,;-4.69,6.35,;-5.61,7.58,;-3.06,6.29,;-2.29,7.62,;-2.59,4.82,;-1.1,4.42,;-1.82,3.74,;-.5,2.93,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(c2)C(F)(F)F)CC1 |t:16,(10.04,-6.62,;8.71,-7.39,;7.37,-6.62,;6.29,-7.71,;4.95,-6.94,;3.41,-6.94,;2.5,-8.19,;1.04,-7.71,;-.3,-8.48,;-1.63,-7.71,;-1.63,-6.17,;-.3,-5.4,;1.04,-6.17,;2.5,-5.7,;1.6,-4.45,;2.5,-3.21,;1.73,-1.87,;3.97,-3.68,;5.3,-2.91,;3.97,-5.22,;5.51,-5.22,;-2.96,-5.4,;-2.96,-3.86,;-4.3,-3.09,;-5.63,-3.86,;-5.63,-5.4,;-4.3,-6.17,;-6.96,-6.17,;-8.3,-5.4,;-8.05,-7.26,;-6.57,-7.66,;4.5,-5.86,;5.84,-6.62,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(Cl)c2)CC1 |t:16,(9.99,-7.21,;8.5,-7.61,;7.41,-6.52,;6.08,-7.29,;4.99,-6.21,;3.49,-5.83,;2.59,-7.08,;1.12,-6.6,;-.21,-7.37,;-1.55,-6.6,;-1.55,-5.06,;-.21,-4.29,;1.12,-5.06,;2.59,-4.59,;1.68,-3.34,;2.59,-2.09,;1.82,-.76,;4.05,-2.57,;5.38,-1.8,;4.05,-4.11,;5.59,-4.11,;-2.88,-4.29,;-2.88,-2.75,;-4.21,-1.98,;-5.55,-2.75,;-5.55,-4.29,;-6.88,-5.06,;-4.21,-5.06,;4.83,-5.06,;5.92,-6.21,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(F)c2)CC1 |t:16,(9.98,-8.72,;8.65,-9.49,;7.31,-8.72,;6.22,-9.81,;4.88,-9.05,;3.34,-9.05,;2.44,-10.29,;.97,-9.82,;-.36,-10.59,;-1.69,-9.82,;-1.69,-8.28,;-.36,-7.51,;.97,-8.28,;2.44,-7.8,;1.19,-6.9,;1.67,-5.43,;.9,-4.1,;3.21,-5.43,;3.98,-4.1,;3.69,-6.9,;5.02,-7.67,;-3.03,-7.51,;-3.03,-5.97,;-4.36,-5.2,;-5.69,-5.97,;-5.69,-7.51,;-7.03,-8.28,;-4.36,-8.28,;4.43,-7.96,;5.77,-8.72,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccnc2F)CC1 |t:16,(9.99,-7.28,;8.5,-7.68,;7.41,-6.59,;6.08,-7.36,;4.99,-6.27,;3.49,-5.9,;3.02,-7.37,;1.48,-7.37,;.45,-8.51,;-1.06,-8.19,;-1.54,-6.73,;-.51,-5.58,;1,-5.9,;2.25,-5,;1,-4.09,;1.48,-2.63,;.71,-1.29,;3.02,-2.63,;3.79,-1.29,;3.49,-4.09,;5.03,-4.09,;-2.87,-5.96,;-4.2,-6.73,;-5.54,-5.96,;-5.54,-4.42,;-4.2,-3.65,;-2.87,-4.42,;-1.54,-3.65,;4.83,-5.13,;5.92,-6.27,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2ccnc(OC)c2)CC1 |t:16,(9.99,-7.49,;8.65,-8.26,;7.32,-7.49,;6.23,-8.58,;4.89,-7.82,;3.35,-7.82,;2.45,-9.07,;.98,-8.59,;-.35,-9.36,;-1.68,-8.59,;-1.68,-7.05,;-.35,-6.28,;.98,-7.05,;2.45,-6.57,;1.2,-5.67,;1.68,-4.2,;.91,-2.87,;3.22,-4.2,;3.99,-2.87,;3.69,-5.67,;5.03,-6.44,;-3.02,-6.28,;-3.02,-4.74,;-4.35,-3.97,;-5.68,-4.74,;-5.68,-6.28,;-7.02,-7.05,;-8.35,-6.28,;-4.35,-7.05,;4.44,-6.73,;5.78,-7.49,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(F)cc(c2)C#N)CC1 |t:16|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(Cl)cc(c2)C#N)CC1 |t:16|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#Cc2ccsc2)CC1 |t:16,(9.99,-5.72,;8.65,-6.49,;7.32,-5.72,;6.23,-6.81,;4.89,-6.05,;3.35,-6.05,;2.45,-7.29,;.98,-6.82,;-.35,-7.59,;-1.68,-6.82,;-1.68,-5.28,;-.35,-4.51,;.98,-5.28,;2.45,-4.8,;1.2,-3.9,;1.68,-2.43,;.91,-1.1,;3.22,-2.43,;3.99,-1.1,;3.69,-3.9,;5.03,-4.67,;-3.02,-4.51,;-4.35,-3.74,;-5.68,-2.97,;-7.15,-3.44,;-8.05,-2.2,;-7.15,-.95,;-5.68,-1.43,;4.44,-4.96,;5.78,-5.72,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#CC2(O)CCCC2)CC1 |t:16,(9.99,-5.72,;8.65,-6.49,;7.32,-5.72,;6.23,-6.81,;4.89,-6.05,;3.35,-6.05,;2.45,-7.29,;.98,-6.82,;-.35,-7.59,;-1.68,-6.82,;-1.68,-5.28,;-.35,-4.51,;.98,-5.28,;2.45,-4.8,;1.2,-3.9,;1.68,-2.43,;.91,-1.1,;3.22,-2.43,;3.99,-1.1,;3.69,-3.9,;5.03,-4.67,;-3.02,-4.51,;-4.35,-3.74,;-5.68,-2.97,;-4.35,-2.2,;-5.68,-1.43,;-7.15,-.95,;-8.05,-2.2,;-7.15,-3.44,;4.44,-4.96,;5.78,-5.72,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncs2)CC1 |t:16,(9.99,-6.97,;8.65,-7.74,;7.32,-6.97,;6.23,-8.06,;4.89,-7.3,;3.35,-7.3,;2.45,-8.54,;.98,-8.07,;-.35,-8.84,;-1.69,-8.07,;-1.69,-6.53,;-.35,-5.76,;.98,-6.53,;2.45,-6.05,;1.54,-4.8,;2.45,-3.56,;1.68,-2.22,;3.91,-4.03,;5.24,-3.26,;3.91,-5.57,;5.45,-5.57,;-3.02,-5.76,;-3.02,-4.22,;-4.48,-3.74,;-5.39,-4.99,;-4.48,-6.23,;4.44,-6.21,;5.78,-6.97,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#N)CC1 |t:16,(6.43,-1.58,;5.21,-.64,;3.79,-1.23,;2.7,-2.32,;1.36,-1.55,;-.18,-1.55,;-1.09,-2.8,;-2.55,-2.32,;-3.88,-3.09,;-5.22,-2.32,;-5.22,-.78,;-3.88,-.01,;-2.55,-.78,;-1.09,-.31,;-1.99,.94,;-1.09,2.18,;-1.86,3.52,;.38,1.71,;1.71,2.48,;.38,.17,;1.87,-.23,;-6.55,-.01,;-7.8,.89,;.91,-.47,;2.25,-1.23,)|
COC1CCC2(Cc3ccc(C=C)cc3C22N=C(N)N(C)C2=O)CC1 |t:18,(-5.82,-5.29,;-7.31,-5.69,;-8.39,-4.6,;-9.73,-5.37,;-10.82,-4.29,;-12.32,-3.92,;-12.79,-5.38,;-14.33,-5.38,;-15.36,-6.52,;-16.87,-6.2,;-17.35,-4.74,;-18.83,-4.34,;-19.92,-5.43,;-16.31,-3.6,;-14.81,-3.92,;-13.56,-3.01,;-14.81,-2.1,;-14.33,-.64,;-15.1,.69,;-12.79,-.64,;-12.02,.69,;-12.32,-2.1,;-10.78,-2.1,;-10.98,-3.15,;-9.89,-4.29,)|
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COC1CCC2(Cc3ccc(Br)cc3C22NC(=O)N(C)C2=O)CC1 |(-1,18.28,;-2.49,17.88,;-3.58,18.97,;-4.91,18.2,;-6.01,19.28,;-7.5,19.66,;-8.41,18.41,;-9.87,18.89,;-11.21,18.12,;-12.54,18.89,;-12.54,20.43,;-13.87,21.2,;-11.21,21.2,;-9.87,20.43,;-8.41,20.9,;-9.31,22.15,;-8.41,23.39,;-8.88,24.86,;-6.94,22.92,;-5.7,23.82,;-6.94,21.38,;-5.4,21.04,;-6.17,20.43,;-5.08,19.28,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(c2)S(C)(=O)=O)CC1 |t:16,(10.05,-10.18,;8.51,-10.18,;7.74,-8.85,;6.39,-9.6,;5.33,-8.47,;3.84,-8.08,;2.94,-9.32,;1.47,-8.85,;.14,-9.62,;-1.19,-8.85,;-1.19,-7.31,;.14,-6.54,;1.47,-7.31,;2.94,-6.83,;2.03,-5.58,;2.94,-4.34,;2.17,-3,;4.4,-4.81,;5.74,-4.04,;4.4,-6.35,;5.89,-6.75,;-2.53,-6.54,;-3.86,-7.31,;-5.19,-6.54,;-5.19,-5,;-3.86,-4.23,;-2.53,-5,;-3.86,-2.69,;-3.86,-1.15,;-5.19,-1.92,;-2.53,-1.92,;5.19,-7.33,;6.25,-8.45,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cnc(C)s2)CC1 |t:16,(10.32,-11.95,;8.99,-12.72,;7.66,-11.95,;6.57,-13.04,;5.23,-12.27,;3.69,-12.27,;2.78,-13.52,;1.32,-13.04,;-.01,-13.81,;-1.35,-13.04,;-1.35,-11.5,;-.01,-10.73,;1.32,-11.5,;2.78,-11.03,;1.54,-10.12,;2.01,-8.66,;1.24,-7.32,;3.55,-8.66,;4.32,-7.32,;4.03,-10.12,;5.36,-10.89,;-2.68,-10.73,;-2.68,-9.19,;-4.15,-8.72,;-5.06,-9.91,;-6.55,-10.3,;-4.15,-11.21,;4.78,-11.18,;6.12,-11.95,)|
COC1CCC2(Cc3ccc(Br)cc3C22N=C(NC(=O)OC(C)(C)C)N(C)C2=O)CC1 |t:17,(-27.12,19.35,;-28.63,19.03,;-29.66,20.18,;-31.05,19.5,;-32.06,20.66,;-33.52,21.14,;-34.77,20.24,;-36.02,21.14,;-37.52,20.82,;-38.55,21.96,;-38.08,23.43,;-39.11,24.57,;-36.57,23.75,;-35.54,22.61,;-34,22.61,;-31.99,22.61,;-31.37,24.52,;-29.46,25.14,;-29.04,27.1,;-30.53,28.45,;-27.13,27.72,;-26.71,29.69,;-26.3,31.65,;-24.75,29.27,;-28.68,30.11,;-33,25.7,;-30.28,25.37,;-34.62,24.52,;-31.13,21.72,;-32.14,21.81,;-31.13,20.59,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C(=O)N2CCCC2)CC1 |t:16,(11.13,-26.5,;9.8,-27.27,;8.46,-26.5,;7.12,-27.25,;6.06,-26.12,;4.57,-25.72,;4.1,-27.19,;2.56,-27.19,;1.53,-28.34,;.02,-28.02,;-.46,-26.56,;.57,-25.41,;2.08,-25.73,;3.32,-24.82,;2.07,-23.91,;2.55,-22.45,;1.76,-21.11,;4.09,-22.45,;4.86,-21.11,;4.57,-23.91,;6.05,-24.31,;-1.97,-26.24,;-2.45,-24.78,;-2.99,-27.39,;-4.46,-26.91,;-5.36,-28.16,;-4.46,-29.4,;-2.99,-28.93,;5.91,-24.97,;6.97,-26.1,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C(=O)N(C)C)CC1 |t:16,(10.21,-12.63,;8.87,-13.4,;7.54,-12.63,;6.19,-13.38,;5.13,-12.25,;3.64,-11.85,;3.17,-13.32,;1.63,-13.32,;.6,-14.47,;-.9,-14.15,;-1.38,-12.69,;-.36,-11.54,;1.15,-11.86,;2.4,-10.95,;1.15,-10.05,;1.63,-8.58,;.84,-7.25,;3.17,-8.58,;3.94,-7.25,;3.64,-10.05,;5.13,-10.45,;-2.89,-12.37,;-3.37,-10.91,;-3.92,-13.52,;-3.44,-14.98,;-5.4,-13.19,;4.99,-11.11,;6.05,-12.23,)|
COC1CCC2(Cc3ccc(Cl)cc3C22N=C(N)N(C)C2=O)CC1 |t:17,(3.05,4.08,;1.72,3.31,;.39,4.08,;-.96,3.33,;-2.02,4.45,;-3.51,4.85,;-3.98,3.39,;-5.52,3.38,;-6.55,2.24,;-8.06,2.55,;-8.54,4.02,;-10.04,4.33,;-7.51,5.16,;-6,4.85,;-4.76,5.75,;-6,6.66,;-5.53,8.12,;-6.3,9.46,;-3.99,8.12,;-3.22,9.46,;-3.51,6.66,;-2.02,6.26,;-2.16,5.6,;-1.1,4.47,)|
COC1CCC2(Cc3ccc(Cl)cc3[C@@]22N=C(N)N(C)C2=O)CC1 |r,wU:14.16,t:17,(-6.06,12.68,;-7.55,12.28,;-8.64,13.37,;-9.72,12.28,;-11.06,13.04,;-12.6,13.04,;-13.51,11.8,;-14.97,12.27,;-16.31,11.5,;-17.64,12.27,;-17.64,13.81,;-18.97,14.58,;-16.31,14.58,;-14.97,13.81,;-13.51,14.29,;-14.41,15.54,;-13.51,16.78,;-14.28,18.12,;-12.04,16.31,;-10.95,17.4,;-12.04,14.77,;-10.56,14.37,;-11.51,14.13,;-10.18,13.37,)|
COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C)C2=O)C#C)CC1 |r,wD:13.15,t:16,(-6.06,12.68,;-7.55,12.28,;-8.64,13.37,;-9.72,12.28,;-11.06,13.04,;-12.6,13.04,;-13.51,11.8,;-14.97,12.27,;-16.31,11.5,;-17.64,12.27,;-17.64,13.81,;-16.31,14.58,;-14.97,13.81,;-13.51,14.29,;-14.41,15.54,;-13.51,16.78,;-14.28,18.12,;-12.04,16.31,;-10.95,17.4,;-12.04,14.77,;-10.56,14.37,;-18.97,14.58,;-20.31,15.35,;-11.51,14.13,;-10.18,13.37,)|
COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C)C2=O)C#N)CC1 |r,wD:13.15,t:16,(3.48,26.68,;2.14,25.91,;.81,26.68,;-.3,25.61,;-1.61,26.42,;-3.15,26.42,;-4.06,25.17,;-5.52,25.65,;-6.86,24.88,;-8.19,25.65,;-8.19,27.19,;-6.86,27.96,;-5.52,27.19,;-4.06,27.66,;-5.3,28.57,;-4.83,30.03,;-5.6,31.37,;-3.29,30.03,;-2.52,31.37,;-2.81,28.57,;-1.33,28.17,;-9.52,27.96,;-10.61,26.87,;-2.05,27.49,;-.73,26.68,)|
COC1CCC2(Cc3ccc(cc3[C@@]22N=C(N)N(C)C2=O)C#N)CC1 |r,wU:13.15,t:16,(3.48,26.68,;2.14,25.91,;.81,26.68,;-.3,25.61,;-1.61,26.42,;-3.15,26.42,;-4.06,25.17,;-5.52,25.65,;-6.86,24.88,;-8.19,25.65,;-8.19,27.19,;-6.86,27.96,;-5.52,27.19,;-4.06,27.66,;-5.3,28.57,;-4.83,30.03,;-5.6,31.37,;-3.29,30.03,;-2.52,31.37,;-2.81,28.57,;-1.33,28.17,;-9.52,27.96,;-10.61,26.87,;-2.05,27.49,;-.73,26.68,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(N)N(C)C2=O)CC1 |r,wD:5.5,2.1,t:17,(10.04,-6.07,;9.27,-7.41,;7.73,-7.41,;6.96,-6.07,;5.42,-6.07,;4.65,-7.41,;3.74,-8.65,;2.28,-8.18,;.94,-8.95,;-.39,-8.18,;-.39,-6.64,;-1.72,-5.87,;.94,-5.87,;2.28,-6.64,;3.74,-6.16,;2.5,-5.26,;2.97,-3.79,;2.2,-2.46,;4.51,-3.79,;5.28,-2.46,;4.99,-5.26,;6.53,-5.26,;5.42,-8.74,;6.96,-8.74,)|
CO[C@H]1CC[C@@]2(Cc3ccccc3C22N=C(N)N(C)C2=O)CC1 |r,wD:5.5,2.1,t:16,(1.72,-1.05,;.95,-2.38,;-.59,-2.38,;-1.36,-1.05,;-2.9,-1.05,;-3.67,-2.38,;-4.57,-3.63,;-6.04,-3.15,;-7.37,-3.92,;-8.7,-3.15,;-8.7,-1.61,;-7.37,-.84,;-6.04,-1.61,;-4.57,-1.13,;-6.04,-.66,;-6.04,.88,;-7.37,1.65,;-4.57,1.36,;-3.48,2.45,;-3.67,.11,;-2.13,.11,;-2.9,-3.71,;-1.36,-3.71,)|
COCC#Cc1ccc2CC3(CCC(CC3)OC)C3(N=C(N)N(C)C3=O)c2c1 |t:20,(-8.38,-7.53,;-7.04,-8.3,;-5.71,-7.53,;-4.37,-8.3,;-3.04,-9.07,;-1.71,-9.84,;-1.71,-11.38,;-.37,-12.15,;.96,-11.38,;2.43,-11.86,;3.33,-10.61,;4.82,-10.93,;5.92,-12.07,;7.25,-11.3,;5.76,-10.93,;4.66,-9.84,;8.59,-12.07,;9.92,-11.3,;2.43,-9.37,;1.52,-8.12,;2.43,-6.87,;1.66,-5.54,;3.89,-7.35,;5.22,-6.58,;3.89,-8.89,;5.43,-8.89,;.96,-9.84,;-.37,-9.07,)|
COCCCc1ccc2CC3(CCC(CC3)OC)C3(N=C(N)N(C)C3=O)c2c1 |t:20,(-12.16,5.68,;-10.83,4.91,;-9.5,5.68,;-8.16,4.91,;-6.83,5.68,;-5.5,4.91,;-5.5,3.37,;-4.16,2.6,;-2.83,3.37,;-1.36,2.89,;-.46,4.14,;1.03,3.82,;2.13,2.68,;3.46,3.45,;1.97,3.82,;.87,4.91,;4.8,2.68,;6.13,3.45,;-1.36,5.38,;-2.27,6.63,;-1.36,7.88,;-2.13,9.21,;.1,7.4,;1.43,8.17,;.1,5.86,;1.64,5.86,;-2.83,4.91,;-4.16,5.68,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#CCC(C)C)CC1 |t:16,(10.17,-10.97,;8.84,-11.74,;7.51,-10.97,;6.17,-11.74,;5.08,-10.6,;3.58,-10.28,;2.68,-11.53,;1.21,-11.05,;-.12,-11.82,;-1.45,-11.05,;-1.45,-9.51,;-.12,-8.74,;1.21,-9.51,;2.68,-9.04,;1.77,-7.79,;2.68,-6.55,;1.91,-5.21,;4.14,-7.02,;5.48,-6.25,;4.14,-8.56,;5.68,-8.56,;-2.79,-8.74,;-4.12,-7.97,;-5.45,-7.2,;-6.79,-7.97,;-8.12,-7.2,;-6.79,-9.51,;4.92,-9.51,;6.01,-10.6,)|
COC1CCC2(Cc3ccc(CCCC(C)C)cc3C22N=C(N)N(C)C2=O)CC1 |t:22,(5.95,-5.19,;4.61,-5.96,;3.28,-5.19,;1.95,-5.96,;.85,-4.81,;-.64,-4.5,;-1.55,-5.74,;-3.01,-5.27,;-4.35,-6.04,;-5.68,-5.27,;-5.68,-3.73,;-7.01,-2.96,;-8.35,-3.73,;-9.68,-2.96,;-11.02,-3.73,;-12.35,-2.96,;-11.02,-5.27,;-4.35,-2.96,;-3.01,-3.73,;-1.55,-3.25,;-2.45,-2.01,;-1.55,-.76,;-2.32,.57,;-.08,-1.24,;1.25,-.47,;-.08,-2.78,;1.46,-2.78,;.69,-3.73,;1.78,-4.81,)|
COC1CCC2(Cc3ccc(cc3C22NC(=S)N(C)C2=O)C#CCC(C)C)CC1 |(8.71,-13.25,;7.3,-14.14,;6.21,-13.05,;4.88,-13.82,;3.79,-12.74,;2.29,-12.36,;1.74,-13.8,;.2,-13.72,;-.89,-14.81,;-2.37,-14.41,;-2.77,-12.92,;-1.68,-11.84,;-.2,-12.23,;1.09,-11.4,;.19,-10.15,;1.09,-8.9,;.01,-7.81,;2.56,-9.38,;3.81,-8.47,;2.56,-10.92,;4.1,-10.92,;-4.26,-12.53,;-5.75,-12.13,;-7.24,-11.73,;-8.32,-12.82,;-7.93,-14.31,;-9.81,-12.42,;3.63,-11.59,;4.72,-12.74,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C3CC3)C2=O)C#CC2CC2)CC1 |t:16,(5.02,-9.99,;3.54,-9.6,;2.77,-8.26,;1.28,-8.66,;.5,-7.33,;-.85,-6.58,;-1.75,-7.83,;-3.21,-7.35,;-4.55,-8.12,;-5.88,-7.35,;-5.88,-5.81,;-4.55,-5.04,;-3.21,-5.81,;-1.75,-5.34,;-2.66,-4.09,;-1.75,-2.85,;-2.52,-1.51,;-.29,-3.32,;.8,-2.23,;2.29,-1.83,;1.2,-.74,;-.29,-4.86,;1.05,-5.63,;-7.22,-5.04,;-8.55,-4.27,;-9.88,-3.5,;-10.65,-2.17,;-11.42,-3.5,;.64,-6.18,;1.42,-7.51,)|
COC1CCC2(Cc3ccc(Br)cc3C22N=C(N)N(C3CC3)C2=O)CC1 |t:17,(3.07,-10.72,;1.58,-10.32,;.81,-8.98,;-.67,-9.38,;-1.45,-8.05,;-2.8,-7.31,;-3.7,-8.55,;-5.17,-8.08,;-6.5,-8.85,;-7.84,-8.08,;-7.84,-6.54,;-9.17,-5.77,;-6.5,-5.77,;-5.17,-6.54,;-3.7,-6.06,;-4.61,-4.81,;-3.7,-3.57,;-4.47,-2.23,;-2.24,-4.04,;-1.15,-2.96,;.34,-2.56,;-.75,-1.47,;-2.24,-5.58,;-.91,-6.35,;-1.31,-6.91,;-.53,-8.24,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C3CC3)C2=O)-c2cccc(c2)C#N)CC1 |t:16,(10.05,-9.82,;8.56,-9.42,;8.16,-7.93,;6.74,-8.52,;5.79,-7.3,;4.36,-6.74,;3.46,-7.98,;1.99,-7.51,;.66,-8.28,;-.68,-7.51,;-.68,-5.97,;.66,-5.2,;1.99,-5.97,;3.46,-5.49,;2.55,-4.24,;3.46,-3,;2.69,-1.66,;4.92,-3.47,;6.25,-2.7,;7.79,-2.7,;7.02,-1.37,;4.92,-5.01,;6.41,-5.41,;-2.01,-5.2,;-2.01,-3.66,;-3.34,-2.89,;-4.68,-3.66,;-4.7,-5.21,;-3.34,-5.97,;-6.03,-5.97,;-7.35,-6.74,;5.78,-6.15,;6.72,-7.43,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C3CC3)C2=O)-c2cncc(c2)C(F)(F)F)CC1 |t:16,(10.04,-9.68,;8.56,-9.28,;7.79,-7.94,;6.3,-8.34,;5.52,-7.01,;4.18,-6.27,;3.27,-7.51,;1.81,-7.04,;.47,-7.81,;-.86,-7.04,;-.86,-5.5,;.47,-4.73,;1.81,-5.5,;3.27,-5.02,;2.37,-3.77,;3.27,-2.53,;2.5,-1.19,;4.74,-3,;5.82,-1.91,;7.31,-1.52,;6.22,-.43,;4.74,-4.54,;6.07,-5.31,;-2.19,-4.73,;-2.19,-3.19,;-3.53,-2.42,;-4.86,-3.19,;-4.86,-4.73,;-3.53,-5.5,;-6.2,-5.5,;-7.68,-5.1,;-7.53,-6.27,;-6.2,-7.04,;5.66,-5.87,;6.44,-7.2,)|
COC1CCC2(Cc3ccc(cc3C22NC(=S)N(C3CCC3)C2=O)C#CC2CC2)CC1 |(4.93,-10.17,;3.44,-9.77,;2.67,-8.44,;1.18,-8.84,;.41,-7.51,;-.94,-6.76,;-1.84,-8,;-3.31,-7.53,;-4.64,-8.3,;-5.98,-7.53,;-5.98,-5.99,;-4.64,-5.22,;-3.31,-5.99,;-1.84,-5.51,;-2.75,-4.27,;-1.84,-3.02,;-2.24,-1.53,;-.38,-3.5,;.95,-2.73,;2.44,-3.13,;2.84,-1.64,;1.35,-1.24,;-.38,-5.04,;.95,-5.81,;-7.31,-5.22,;-8.64,-4.45,;-9.98,-3.68,;-10.75,-2.35,;-11.52,-3.68,;.55,-6.36,;1.33,-7.69,)|
CC1(C)OC(=O)C(C(=O)c2ccc(cc2)C(F)(F)F)C(=O)O1
COC(=O)CCC1(CCC(=O)OC)Cc2ccc(OC(F)(F)F)cc2C1=O
COC1CCC2(Cc3ccc(cc3C22N=C(SC)N(C)C2=O)N2CCCC2)CC1 |t:16,(5.07,-15.29,;3.53,-15.29,;2.76,-13.96,;1.42,-14.73,;.33,-13.65,;-1.16,-13.27,;-2.07,-14.52,;-3.53,-14.04,;-4.87,-14.81,;-6.2,-14.04,;-6.2,-12.5,;-4.87,-11.73,;-3.53,-12.5,;-2.07,-12.03,;-2.97,-10.78,;-2.07,-9.54,;-2.84,-8.2,;-4.38,-8.2,;-.6,-10.01,;.48,-8.92,;-.6,-11.55,;.73,-12.32,;-7.53,-11.73,;-7.53,-10.19,;-9,-9.72,;-9.9,-10.96,;-9,-12.21,;.17,-12.5,;1.26,-13.65,)|
COC1CCC2(Cc3ccc(OC)cc3C22NC(SC)N(C)C2=O)CC1 |(4.96,-9.91,;3.63,-10.68,;2.3,-9.91,;1.11,-10.89,;-.15,-10.01,;-1.68,-9.87,;-2.59,-11.11,;-4.05,-10.64,;-5.39,-11.41,;-6.72,-10.64,;-6.72,-9.1,;-8.05,-8.33,;-9.39,-9.1,;-5.39,-8.33,;-4.05,-9.1,;-2.59,-8.62,;-3.49,-7.38,;-2.59,-6.13,;-2.99,-4.64,;-1.9,-3.55,;-1.12,-6.61,;-.04,-5.52,;-1.12,-8.15,;.36,-8.54,;-.5,-8.88,;.76,-9.77,)|
COC1CCC2(Cc3ccc(OCCN(C)C)cc3C22NC(=O)N(C)C2=O)CC1 |(5.49,-7.59,;4.16,-8.36,;3.07,-7.27,;1.73,-8.04,;.64,-6.96,;-.85,-6.59,;-1.41,-8.02,;-2.94,-7.94,;-4.03,-9.03,;-5.52,-8.63,;-5.92,-7.15,;-7.25,-6.38,;-8.59,-7.15,;-9.92,-6.38,;-11.25,-7.15,;-12.59,-6.38,;-11.25,-8.69,;-4.83,-6.06,;-3.34,-6.45,;-2.05,-5.62,;-2.96,-4.37,;-2.05,-3.12,;-2.82,-1.79,;-.59,-3.6,;.5,-2.51,;-.59,-5.14,;.95,-5.14,;.48,-5.82,;1.57,-6.96,)|
COC1CCC2(Cc3ccc(OCC4CCCC4)cc3C22NC(=S)N(C)C2=O)CC1 |(5.45,-6.64,;4.12,-7.41,;3.03,-6.33,;1.69,-7.1,;.6,-6.01,;-.89,-5.64,;-1.45,-7.08,;-2.98,-7,;-4.07,-8.08,;-5.56,-7.69,;-5.96,-6.2,;-7.29,-5.43,;-8.63,-6.2,;-9.96,-5.43,;-9.96,-3.89,;-11.42,-3.41,;-12.33,-4.66,;-11.42,-5.9,;-4.87,-5.11,;-3.38,-5.51,;-2.09,-4.67,;-3.34,-3.76,;-2.86,-2.3,;-3.63,-.97,;-1.32,-2.3,;-.55,-.97,;-.85,-3.76,;.69,-3.76,;.44,-4.87,;1.53,-6.01,)|
COCCOc1ccc2CC3(CCC(CC3)OC)C3(NC(=S)N(C)C3=O)c2c1 |(-12.58,-3.99,;-11.24,-4.76,;-9.91,-3.99,;-8.57,-4.76,;-7.24,-3.99,;-5.91,-4.76,;-5.91,-6.3,;-4.57,-7.07,;-3.24,-6.3,;-1.78,-6.78,;-.87,-5.53,;.62,-5.91,;1.72,-6.99,;3.05,-6.22,;1.56,-5.91,;.46,-4.76,;4.14,-7.31,;5.63,-6.91,;-1.78,-4.29,;-3.02,-3.38,;-2.55,-1.92,;-3.32,-.58,;-1.01,-1.92,;-.24,-.58,;-.53,-3.38,;.8,-4.15,;-3.24,-4.76,;-4.57,-3.99,)|
COC1CCC2(Cc3ccc(Oc4cccc(OC)c4)cc3C22NC(=S)N(C)C2=O)CC1 |(-.68,-6.97,;-2.02,-7.74,;-3.35,-6.97,;-4.22,-8.24,;-5.67,-7.7,;-7.18,-8,;-8.09,-9.25,;-9.55,-8.77,;-10.89,-9.54,;-12.22,-8.77,;-12.22,-7.23,;-13.56,-6.46,;-14.89,-7.23,;-14.89,-8.77,;-16.22,-9.54,;-17.56,-8.77,;-17.56,-7.23,;-18.89,-6.46,;-20.22,-7.23,;-16.22,-6.46,;-10.89,-6.46,;-9.55,-7.23,;-8.09,-6.76,;-9.34,-5.85,;-8.86,-4.39,;-9.63,-3.05,;-7.32,-4.39,;-6.55,-3.05,;-6.84,-5.85,;-5.51,-6.62,;-6.31,-6.73,;-4.86,-7.28,)|
COC1CCC2(Cc3ccc(OC4CC4)cc3C22NC(=S)N(C)C2=O)CC1 |(5.29,-29.25,;3.81,-29.65,;2.72,-28.56,;1.23,-28.96,;.45,-27.63,;-.89,-26.88,;-1.8,-28.13,;-3.26,-27.65,;-4.6,-28.42,;-5.93,-27.65,;-5.93,-26.11,;-7.26,-25.34,;-8.6,-26.11,;-10.14,-26.11,;-9.37,-27.45,;-4.6,-25.34,;-3.26,-26.11,;-1.8,-25.64,;-2.7,-24.39,;-1.8,-23.15,;-2.28,-21.68,;-.33,-23.62,;.91,-22.72,;-.33,-25.16,;1,-25.93,;.59,-26.49,;1.37,-27.82,)|
COC1CCC2(Cc3ccc(OCCC4CC4)cc3C22N=C(N)N(C)C2=O)CC1 |t:23,(6.42,-7.17,;5.09,-7.94,;3.75,-7.17,;2.42,-7.94,;1.34,-6.83,;-.15,-6.46,;-.63,-7.92,;-2.17,-7.92,;-3.2,-9.06,;-4.71,-8.74,;-5.18,-7.28,;-6.67,-6.88,;-7.76,-7.97,;-9.25,-7.57,;-10.33,-8.66,;-11.82,-9.06,;-10.73,-10.15,;-4.15,-6.14,;-2.64,-6.46,;-1.4,-5.55,;-2.64,-4.65,;-2.17,-3.18,;-2.94,-1.85,;-.63,-3.18,;.14,-1.85,;-.15,-4.65,;1.39,-4.65,;1.18,-5.69,;2.26,-6.8,)|
COC1CCC2(Cc3ccc(OC(F)(F)C(F)F)cc3[C@@]22N=C(N)N(C)C2=O)CC1 |r,wU:20.22,t:23,(8.47,-1.72,;7.13,-2.49,;5.8,-1.72,;4.47,-2.49,;3.39,-1.37,;1.89,-1,;1.42,-2.46,;-.12,-2.46,;-1.15,-3.61,;-2.66,-3.29,;-3.13,-1.82,;-4.47,-1.05,;-5.8,-1.82,;-5.03,-3.16,;-6.57,-3.16,;-7.13,-1.05,;-6.36,.28,;-7.9,.28,;-2.1,-.68,;-.6,-1,;.65,-.09,;-.6,.81,;-.12,2.28,;-.89,3.61,;1.42,2.28,;2.19,3.61,;1.89,.81,;3.43,.81,;3.23,-.23,;4.31,-1.34,)|
COC1CCC2(Cc3ccc(OCC4CC4)cc3C22N=C(N)N(C)C2=O)CC1 |t:22,(5.61,-4.4,;4.12,-4.8,;3.03,-3.71,;1.69,-4.48,;.62,-3.37,;-.88,-2.99,;-1.78,-4.24,;-3.25,-3.76,;-4.58,-4.53,;-5.92,-3.76,;-5.92,-2.22,;-7.25,-1.45,;-8.58,-2.22,;-9.92,-1.45,;-10.69,-.12,;-11.46,-1.45,;-4.58,-1.45,;-3.25,-2.22,;-1.78,-1.75,;-2.69,-.5,;-1.78,.74,;-2.18,2.23,;-.32,.27,;1.02,1.04,;-.32,-1.27,;1.02,-2.04,;.46,-2.22,;1.53,-3.33,)|
COC1CCC2(Cc3ccc(OCC4CC4)cc3[C@@]22N=C(N)N(C)C2=O)CC1 |r,wU:18.21,t:22,(5.61,-4.4,;4.12,-4.8,;3.03,-3.71,;1.69,-4.48,;.62,-3.37,;-.88,-2.99,;-1.78,-4.24,;-3.25,-3.76,;-4.58,-4.53,;-5.92,-3.76,;-5.92,-2.22,;-7.25,-1.45,;-8.58,-2.22,;-9.92,-1.45,;-10.69,-.12,;-11.46,-1.45,;-4.58,-1.45,;-3.25,-2.22,;-1.78,-1.75,;-2.69,-.5,;-1.78,.74,;-2.18,2.23,;-.32,.27,;1.02,1.04,;-.32,-1.27,;1.02,-2.04,;.46,-2.22,;1.53,-3.33,)|
COC1CCC2(Cc3ccc(OCC4CC4)cc3[C@]22N=C(N)N(C)C2=O)CC1 |r,wD:18.21,t:22,(5.61,-4.4,;4.12,-4.8,;3.03,-3.71,;1.69,-4.48,;.62,-3.37,;-.88,-2.99,;-1.78,-4.24,;-3.25,-3.76,;-4.58,-4.53,;-5.92,-3.76,;-5.92,-2.22,;-7.25,-1.45,;-8.58,-2.22,;-9.92,-1.45,;-10.69,-.12,;-11.46,-1.45,;-4.58,-1.45,;-3.25,-2.22,;-1.78,-1.75,;-2.69,-.5,;-1.78,.74,;-2.18,2.23,;-.32,.27,;1.02,1.04,;-.32,-1.27,;1.02,-2.04,;.46,-2.22,;1.53,-3.33,)|
COC1CCC2(Cc3ccc(OC(F)F)cc3C22N=C(N)N(C)C2=O)CC1 |t:20,(5.61,-4.4,;4.12,-4.8,;3.03,-3.71,;1.69,-4.48,;.62,-3.37,;-.88,-2.99,;-1.78,-4.24,;-3.25,-3.76,;-4.58,-4.53,;-5.92,-3.76,;-5.92,-2.22,;-7.25,-1.45,;-8.58,-2.22,;-9.92,-1.45,;-8.58,-3.76,;-4.58,-1.45,;-3.25,-2.22,;-1.78,-1.75,;-2.69,-.5,;-1.78,.74,;-2.18,2.23,;-.32,.27,;1.02,1.04,;-.32,-1.27,;1.02,-2.04,;.46,-2.22,;1.53,-3.33,)|
COC1CCC2(Cc3ccc(Oc4ccccc4)cc3C22N=C(N)N(C)C2=O)CC1 |t:24,(-1.09,-14.62,;-2.42,-15.39,;-3.76,-14.62,;-4.53,-15.96,;-6.02,-15.53,;-7.5,-15.96,;-8.4,-17.2,;-9.87,-16.73,;-11.2,-17.49,;-12.53,-16.73,;-12.53,-15.19,;-13.87,-14.42,;-15.2,-15.19,;-16.53,-14.42,;-17.87,-15.19,;-17.87,-16.73,;-16.53,-17.49,;-15.2,-16.73,;-11.2,-14.42,;-9.87,-15.19,;-8.4,-14.71,;-9.65,-13.8,;-9.17,-12.34,;-9.94,-11.01,;-7.63,-12.34,;-6.86,-11.01,;-7.16,-13.8,;-5.67,-14.2,;-6.73,-14.62,;-5.24,-15.04,)|
CO[C@H]1CC[C@@]2(Cc3c(cccc3F)C22NC(=O)NC2=O)CC1 |r,wD:5.5,2.1,(5.01,-23.22,;4.24,-24.56,;2.7,-24.56,;1.93,-23.22,;.39,-23.22,;-.38,-24.56,;-1.28,-25.8,;-2.75,-25.33,;-2.75,-23.79,;-4.08,-23.02,;-5.42,-23.79,;-5.42,-25.33,;-4.08,-26.1,;-4.08,-27.64,;-1.28,-23.31,;-2.75,-22.83,;-2.75,-21.29,;-4.08,-20.52,;-1.28,-20.82,;-.38,-22.06,;1.16,-22.06,;.39,-25.89,;1.93,-25.89,)|
CO[C@H]1CC[C@@]2(Cc3c(c(Br)ccc3F)C22NC(=O)NC2=O)CC1 |r,wD:5.5,2.1,(5.6,-24.39,;4.83,-25.72,;3.29,-25.72,;2.52,-24.39,;.98,-24.39,;.21,-25.72,;-.69,-26.97,;-2.16,-26.49,;-2.16,-24.95,;-3.49,-24.18,;-3.49,-22.64,;-4.83,-24.95,;-4.83,-26.49,;-3.49,-27.26,;-3.49,-28.8,;-.69,-24.47,;-1.6,-23.23,;-.69,-21.98,;-1.46,-20.65,;.77,-22.46,;.77,-24,;2.31,-24,;.98,-27.05,;2.52,-27.05,)|
CO[C@H]1CC[C@@]2(Cc3c(c(ccc3F)-c3cccc(c3)C#N)C22N=C(N)N(C)C2=O)CC1 |r,wD:5.5,2.1,t:26,(10.31,-10.08,;9.54,-11.41,;8,-11.41,;7.38,-10.23,;5.84,-10.23,;4.92,-11.41,;4.01,-12.66,;2.55,-12.18,;2.55,-10.64,;1.22,-9.87,;-.12,-10.64,;-.12,-12.18,;1.22,-12.95,;1.22,-14.49,;1.22,-8.33,;1.99,-7,;1.22,-5.67,;-.32,-5.67,;-1.15,-7,;-.32,-8.33,;-2.69,-7,;-4.23,-7,;4.01,-10.17,;3.11,-8.92,;4.01,-7.67,;4.01,-6.13,;5.48,-8.15,;6.81,-7.38,;5.48,-9.69,;7.02,-9.69,;5.69,-12.75,;7.23,-12.75,)|
COC1CCC2(Cc3cc(F)ccc3C22N=C(SC)N(C)C2=O)CC1 |t:17,(4.4,-9.57,;3.07,-10.34,;1.73,-9.57,;.65,-10.66,;-.69,-9.9,;-2.23,-9.9,;-3.14,-11.15,;-4.6,-10.67,;-5.94,-11.44,;-7.27,-10.67,;-8.6,-11.44,;-7.27,-9.13,;-5.94,-8.36,;-4.6,-9.13,;-3.14,-8.65,;-4.6,-8.18,;-4.6,-6.64,;-5.85,-5.73,;-7.34,-6.13,;-3.14,-6.16,;-2.37,-4.83,;-2.23,-7.41,;-.74,-7.81,;-1.14,-8.81,;.19,-9.57,)|
COC1CCC2(Cc3cc(F)c(cc3C22NC(=S)N(C)C2=O)-c2cccc(c2)C#N)CC1 |(3.89,-6.93,;2.56,-7.7,;1.22,-6.93,;.13,-8.02,;-1.2,-7.26,;-2.74,-7.26,;-3.65,-8.5,;-5.11,-8.03,;-6.45,-8.8,;-7.78,-8.03,;-9.11,-8.8,;-7.78,-6.49,;-6.45,-5.72,;-5.11,-6.49,;-3.65,-6.01,;-5.11,-5.54,;-5.11,-4,;-6.36,-3.09,;-3.65,-3.52,;-3.17,-2.06,;-2.74,-4.77,;-1.26,-5.17,;-9.11,-5.72,;-10.45,-6.49,;-11.78,-5.72,;-11.78,-4.18,;-10.45,-3.35,;-9.11,-4.18,;-10.45,-1.81,;-10.45,-.27,;-1.66,-6.17,;-.32,-6.93,)|
COC1CCC2(Cc3cc(F)c(cc3C22NC(=S)N(C)C2=O)C#CC2CC2)CC1 |(3.74,-6.2,;2.4,-6.97,;1.07,-6.2,;-.02,-7.29,;-1.36,-6.53,;-2.9,-6.53,;-3.8,-7.77,;-5.27,-7.3,;-6.6,-8.07,;-7.94,-7.3,;-9.27,-8.07,;-7.94,-5.76,;-6.6,-4.99,;-5.27,-5.76,;-3.8,-5.28,;-5.27,-4.81,;-5.27,-3.27,;-6.51,-2.36,;-3.8,-2.79,;-3.33,-1.33,;-2.9,-4.04,;-1.41,-4.43,;-9.27,-4.99,;-10.6,-4.22,;-11.94,-3.45,;-12.71,-2.11,;-13.48,-3.45,;-1.81,-5.44,;-.47,-6.2,)|
COC1CCC2(Cc3ccc(CCC(F)(F)F)cc3C22NC(=S)N(C)C2=O)CC1 |(5.09,-21.04,;3.75,-21.81,;2.42,-21.04,;1.33,-22.13,;-.01,-21.36,;-1.55,-21.36,;-2.45,-22.61,;-3.92,-22.13,;-5.25,-22.9,;-6.58,-22.13,;-6.58,-20.59,;-7.92,-19.82,;-7.92,-18.28,;-9.25,-17.51,;-10.59,-16.74,;-8.48,-16.18,;-10.02,-18.85,;-5.25,-19.82,;-3.92,-20.59,;-2.45,-20.12,;-3.36,-18.87,;-2.45,-17.63,;-2.85,-16.14,;-.99,-18.1,;.26,-17.2,;-.99,-19.64,;.35,-20.41,;-.46,-20.28,;.88,-21.04,)|
CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(O)CC1)-c1cccc(c1)C#N |c:3,(6.48,-2.74,;5.23,-3.65,;3.77,-3.17,;3,-1.84,;2.86,-4.42,;3.77,-5.67,;5.23,-5.19,;6.77,-5.19,;2.3,-6.14,;.97,-5.37,;-.37,-6.14,;-.37,-7.68,;.97,-8.45,;2.3,-7.68,;3.77,-8.16,;4.67,-6.91,;6.17,-7.29,;7.26,-8.37,;8.59,-7.6,;9.68,-8.69,;7.1,-7.29,;6.01,-6.14,;-1.7,-5.37,;-1.7,-3.83,;-3.03,-3.06,;-4.37,-3.83,;-4.39,-5.39,;-3.03,-6.14,;-5.72,-6.15,;-7.04,-6.91,)|
CN1C(NC(=O)OC(C)(C)C)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C#CC1CC1 |r,wD:31.51,c:10,(-3.33,-9.45,;-2.85,-10.91,;-1.38,-11.38,;-.14,-10.47,;-.31,-8.94,;.93,-8.02,;-1.72,-8.32,;-1.89,-6.79,;-.36,-6.62,;-3.42,-6.96,;-2.07,-5.26,;-1.37,-12.92,;-2.83,-13.41,;-3.74,-12.17,;-5.28,-12.18,;-4.29,-13.89,;-5.63,-13.13,;-6.96,-13.91,;-6.95,-15.45,;-5.61,-16.21,;-4.28,-15.43,;-2.81,-15.9,;-1.92,-14.65,;-1.21,-13.52,;.38,-13.3,;1.16,-14.63,;.4,-15.96,;-1.14,-15.97,;2.7,-14.62,;3.46,-13.28,;2.68,-11.95,;5,-13.27,;5.76,-11.93,;7.3,-11.92,;8.07,-10.58,;9.61,-10.57,;10.38,-11.9,;11.92,-11.89,;12.69,-10.55,;11.91,-9.22,;14.23,-10.54,;14.99,-9.2,;15.75,-7.86,;16.32,-9.96,;13.65,-8.44,;9.62,-13.24,;8.08,-13.25,;5.78,-14.59,;5.02,-15.93,;5.8,-17.26,;3.48,-15.94,;2.72,-17.28,;1.38,-16.52,;4.06,-18.04,;1.96,-18.62,;-8.3,-13.15,;-9.64,-12.39,;-10.98,-11.63,;-12.52,-11.64,;-11.76,-10.3,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C(=C)C(F)(F)F)CC1 |t:16,(1.29,-1.35,;-.17,-.87,;-.49,.63,;-2.03,.71,;-2.36,2.22,;-3.41,3.35,;-4.65,2.44,;-5.9,3.35,;-7.41,3.03,;-8.44,4.17,;-7.96,5.64,;-6.45,5.96,;-5.42,4.81,;-3.88,4.81,;-2.34,4.81,;-1.87,6.28,;-.33,6.28,;-3.11,7.18,;-3.07,8.96,;-4.36,6.28,;-5.93,7.08,;-8.99,6.78,;-8.51,8.24,;-10.5,6.46,;-11.83,7.23,;-11.98,6.06,;-10.9,4.97,;-1.87,3.27,;-1.54,1.76,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C(O)(O)C(F)(F)F)CC1 |t:16,(1.29,-1.35,;-.17,-.87,;-.49,.63,;-2.03,.71,;-2.36,2.22,;-3.41,3.35,;-4.65,2.44,;-5.9,3.35,;-7.41,3.03,;-8.44,4.17,;-7.96,5.64,;-6.45,5.96,;-5.42,4.81,;-3.88,4.81,;-2.34,4.81,;-1.87,6.28,;-.33,6.28,;-3.11,7.18,;-3.23,8.91,;-4.36,6.28,;-5.93,7.24,;-8.99,6.78,;-9.31,8.29,;-7.85,7.81,;-10.5,6.46,;-11.83,7.23,;-11.59,5.37,;-9.73,5.13,;-1.87,3.27,;-1.54,1.76,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C(C)C(F)(F)F)CC1 |t:16,(9.91,-16.2,;8.37,-16.2,;7.6,-14.87,;6.12,-15.26,;5.34,-13.93,;3.99,-13.19,;3.09,-14.43,;1.62,-13.96,;.29,-14.73,;-1.05,-13.96,;-1.05,-12.42,;.29,-11.65,;1.62,-12.42,;3.09,-11.94,;2.18,-10.7,;3.09,-9.45,;2.32,-8.12,;4.55,-9.93,;5.88,-9.16,;4.55,-11.47,;5.88,-12.24,;-2.38,-11.65,;-2.38,-10.11,;-3.71,-12.42,;-4.8,-11.33,;-4.8,-13.51,;-3.31,-13.9,;5.48,-12.79,;6.26,-14.12,)|
COC1CCC2(Cc3ccc(cc3C22NC(=S)NC2=O)C#CC2CC2)CC1 |(6.85,-4.06,;5.36,-4.46,;4.27,-3.37,;3.18,-4.46,;1.84,-3.7,;.3,-3.7,;-.6,-4.94,;-2.07,-4.47,;-3.4,-5.24,;-4.73,-4.47,;-4.73,-2.93,;-3.4,-2.16,;-2.07,-2.93,;-.6,-2.45,;-1.85,-1.55,;-1.37,-.08,;-2.14,1.25,;.17,-.08,;.64,-1.55,;2.13,-1.95,;-6.07,-2.16,;-7.4,-1.39,;-8.73,-.62,;-9.5,.72,;-10.27,-.62,;1.39,-2.61,;2.73,-3.37,)|
CN1C(=S)NC2(C1=O)c1cc(Br)ccc1CC21CCC(Cc2ccccc2)CC1 |(-3.79,-26.01,;-4.56,-27.34,;-6.1,-27.34,;-6.87,-26.01,;-6.57,-28.81,;-5.33,-29.71,;-4.08,-28.81,;-2.59,-29.21,;-6.57,-30.62,;-8.08,-30.3,;-9.11,-31.44,;-10.6,-31.04,;-8.63,-32.91,;-7.13,-33.23,;-6.1,-32.08,;-4.56,-32.08,;-4.08,-30.62,;-2.54,-30.62,;-1.2,-31.38,;-.11,-30.29,;.66,-28.96,;2.2,-28.96,;2.97,-30.29,;4.51,-30.29,;5.28,-28.96,;4.51,-27.62,;2.97,-27.62,;-1.65,-30.29,;-2.99,-29.53,)|
CN(C)[C@H]1CC[C@]2(Cc3ccc(Br)cc3C22NC(=O)N(C)C2=O)CC1 |r,wU:3.2,wD:6.6,(2,-7.13,;1.23,-5.8,;2,-4.47,;-.31,-5.8,;-1.08,-7.13,;-2.62,-7.13,;-3.39,-5.8,;-4.3,-7.05,;-5.76,-6.57,;-7.1,-7.34,;-8.43,-6.57,;-8.43,-5.03,;-9.76,-4.26,;-7.1,-4.26,;-5.76,-5.03,;-4.3,-4.56,;-5.54,-3.65,;-5.07,-2.19,;-5.84,-.85,;-3.53,-2.19,;-2.76,-.85,;-3.05,-3.65,;-1.51,-3.65,;-2.62,-4.47,;-1.08,-4.47,)|
CN(C)[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(c2)C#N)CC1 |r,wD:6.6,3.2,t:17,(10.04,-11.81,;8.95,-10.72,;10.04,-9.63,;7.41,-10.72,;6.64,-9.39,;5.1,-9.39,;4.33,-10.72,;3.43,-11.96,;1.96,-11.49,;.63,-12.26,;-.71,-11.49,;-.71,-9.95,;.63,-9.18,;1.96,-9.95,;3.43,-9.47,;2.18,-8.57,;2.66,-7.1,;1.89,-5.77,;4.2,-7.1,;4.97,-5.77,;4.67,-8.57,;6.21,-8.57,;-2.04,-9.18,;-3.37,-9.95,;-4.71,-9.18,;-4.71,-7.64,;-3.37,-6.81,;-2.04,-7.64,;-3.37,-5.27,;-3.37,-3.73,;5.1,-12.05,;6.64,-12.05,)|
COC1CCC2(Cc3ccc(Br)cc3C22NC(SCc3cccc(c3)C(=O)OC)N(Cc3cccc(c3)C(=O)OC)C2=O)CC1 |(5.69,-7.74,;4.78,-6.16,;2.95,-6.16,;2.22,-4.76,;.22,-4.58,;-.7,-6.16,;-1.6,-7.4,;-3.07,-6.93,;-4.4,-7.7,;-5.73,-6.93,;-5.73,-5.39,;-7.07,-4.62,;-4.4,-4.62,;-3.07,-5.39,;-1.6,-4.91,;-2.85,-4.01,;-2.37,-2.54,;-3.46,-1.45,;-4.95,-1.85,;-6.04,-.76,;-5.64,.72,;-6.73,1.81,;-8.22,1.41,;-8.61,-.07,;-7.53,-1.16,;-10.15,-.07,;-10.92,-1.41,;-10.92,1.26,;-9.93,2.44,;-.83,-2.54,;.5,-1.77,;1.84,-2.54,;1.84,-4.08,;3.17,-4.85,;4.5,-4.08,;4.5,-2.54,;3.17,-1.77,;5.84,-1.77,;5.84,-.23,;7.17,-2.54,;8.5,-1.77,;-.36,-4.01,;.98,-4.78,;.22,-7.74,;2.04,-7.74,)|
CN1C(=S)NC2(C1=O)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F |r,wD:16.17,19.25,(.07,-15.61,;-.7,-16.95,;-2.24,-16.95,;-3.01,-15.61,;-2.72,-18.41,;-1.47,-19.31,;-.23,-18.41,;1.31,-18.41,;-2.94,-19.79,;-4.27,-19.02,;-5.61,-19.79,;-6.94,-19.02,;-5.61,-21.33,;-4.27,-22.1,;-2.94,-21.33,;-1.47,-21.81,;-.57,-20.56,;.2,-19.23,;1.74,-19.23,;2.51,-20.56,;1.74,-21.89,;.2,-21.89,;4.05,-20.56,;4.82,-19.23,;6.36,-19.23,;4.05,-17.89,)|
CN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCC(CC1)OC(F)F |c:3,(-4.79,9.22,;-5.56,7.88,;-7.1,7.88,;-7.87,9.22,;-7.57,6.42,;-6.33,5.51,;-5.08,6.42,;-3.59,6.02,;-7.79,5.04,;-9.13,5.81,;-10.46,5.04,;-11.79,5.81,;-10.46,3.5,;-9.13,2.73,;-7.79,3.5,;-6.33,3.02,;-5.42,4.27,;-3.88,4.27,;-2.54,3.51,;-1.45,4.59,;-2.99,4.59,;-4.33,5.36,;-.12,3.82,;1.21,4.59,;2.55,3.82,;1.21,6.13,)|
CN1C(N)=NC2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)C1CC1 |r,wD:15.16,18.24,c:3,(-2.94,10.91,;-3.71,9.58,;-5.25,9.58,;-6.02,10.91,;-5.73,8.12,;-4.48,7.21,;-3.24,8.12,;-1.7,8.12,;-5.95,6.74,;-7.28,7.51,;-8.62,6.74,;-8.62,5.2,;-7.28,4.43,;-5.95,5.2,;-4.48,4.72,;-3.58,5.97,;-2.81,7.3,;-1.27,7.3,;-.5,5.97,;-1.27,4.63,;-2.81,4.63,;1.04,5.97,;1.81,7.3,;3.35,7.3,;1.04,8.63,;-9.95,7.51,;-11.44,7.11,;-10.35,8.99,)|
CN1C(N)=NC2(C1=O)c1cc(CCC3CC3)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F |r,wD:20.22,23.30,c:3,(3.92,-1.69,;3.15,-3.03,;1.61,-3.03,;.84,-1.69,;1.13,-4.49,;2.38,-5.4,;3.62,-4.49,;5.16,-4.49,;.91,-5.87,;-.42,-5.1,;-1.75,-5.87,;-3.09,-5.1,;-4.42,-5.87,;-5.76,-5.1,;-7.09,-4.33,;-7.09,-5.87,;-1.75,-7.41,;-.42,-8.18,;.91,-7.41,;2.38,-7.89,;3.28,-6.64,;4.05,-5.31,;5.59,-5.31,;6.36,-6.64,;5.59,-7.98,;4.05,-7.98,;7.9,-6.64,;8.67,-5.31,;10.21,-5.31,;7.9,-3.97,)|
CC(C)N1C(=O)NC2(C1=O)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F |r,wD:18.19,21.27,(.74,7.18,;.74,5.64,;2.28,5.64,;-.03,4.31,;-1.57,4.31,;-2.34,5.64,;-2.05,2.85,;-.8,1.94,;.44,2.85,;1.98,2.85,;-2.27,1.47,;-3.6,2.24,;-4.94,1.47,;-6.27,2.24,;-4.94,-.07,;-3.6,-.84,;-2.27,-.07,;-.8,-.55,;.1,.7,;.87,2.03,;2.41,2.03,;3.18,.7,;2.41,-.64,;.87,-.64,;4.72,.7,;6.05,1.47,;7.39,.7,;6.05,3.01,)|
CC(C)N1C(=O)NC2(C1=O)c1cc(Br)ccc1C[C@@]21CC[C@H](O)CC1 |r,wD:18.19,21.24,(.74,7.18,;.74,5.64,;2.28,5.64,;-.03,4.31,;-1.57,4.31,;-2.34,5.64,;-2.05,2.85,;-.8,1.94,;.44,2.85,;1.98,2.85,;-2.27,1.47,;-3.6,2.24,;-4.94,1.47,;-6.27,2.24,;-4.94,-.07,;-3.6,-.84,;-2.27,-.07,;-.8,-.55,;.1,.7,;.87,2.03,;2.41,2.03,;3.18,.7,;4.72,.7,;2.41,-.64,;.87,-.64,)|
CC(C)N1C(N)=NC2(C1=O)c1cc(Br)ccc1C[C@@]21CC[C@@H](CC1)OC(F)F |r,wD:18.19,21.27,c:5,(-2.94,10.53,;-2.94,8.99,;-1.4,8.99,;-3.71,7.66,;-5.25,7.66,;-6.02,8.99,;-5.73,6.19,;-4.48,5.29,;-3.24,6.19,;-1.7,6.19,;-5.95,4.81,;-7.28,5.58,;-8.62,4.81,;-9.95,5.58,;-8.62,3.27,;-7.28,2.5,;-5.95,3.27,;-4.48,2.79,;-3.58,4.04,;-2.81,5.37,;-1.27,5.37,;-.5,4.04,;-1.27,2.71,;-2.81,2.71,;1.04,4.04,;2.37,4.81,;3.71,4.04,;2.37,6.35,)|
CC(C)N1C(N)=NC2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cccc(c1)C#N |r,wD:17.18,20.26,c:5,(3.65,-7.07,;3.65,-8.61,;5.19,-8.61,;2.88,-9.94,;1.34,-9.94,;.57,-8.61,;.87,-11.4,;2.11,-12.31,;3.36,-11.4,;4.9,-11.4,;.65,-12.79,;-.68,-12.02,;-2.02,-12.79,;-2.02,-14.33,;-.68,-15.1,;.65,-14.33,;2.11,-14.8,;3.02,-13.56,;3.79,-12.22,;5.33,-12.22,;6.1,-13.56,;5.33,-14.89,;3.79,-14.89,;7.64,-13.56,;8.41,-12.22,;9.95,-12.22,;7.64,-10.89,;-3.35,-12.02,;-4.68,-12.79,;-6.02,-12.02,;-6.02,-10.48,;-4.68,-9.65,;-3.35,-10.48,;-4.68,-8.11,;-4.68,-6.57,)|
CC(C)N1C(N)=NC2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cncc(c1)C(F)(F)F |r,wD:17.18,20.26,c:5,(3.65,-7.07,;3.65,-8.61,;5.19,-8.61,;2.88,-9.94,;1.34,-9.94,;.57,-8.61,;.87,-11.4,;2.11,-12.31,;3.36,-11.4,;4.9,-11.4,;.65,-12.79,;-.68,-12.02,;-2.02,-12.79,;-2.02,-14.33,;-.68,-15.1,;.65,-14.33,;2.11,-14.8,;3.02,-13.56,;3.79,-12.22,;5.33,-12.22,;6.1,-13.56,;5.33,-14.89,;3.79,-14.89,;7.64,-13.56,;8.41,-12.22,;9.95,-12.22,;7.64,-10.89,;-3.35,-12.02,;-4.68,-12.79,;-6.02,-12.02,;-6.02,-10.48,;-4.68,-9.65,;-3.35,-10.48,;-4.68,-8.11,;-4.68,-6.57,;-3.14,-8.11,;-6.22,-8.11,)|
CC(C)N1C(=S)NC2(C1=O)c1cc(Br)ccc1CC21CCC(CC1)OC(F)F |(-.14,1.17,;-1.62,1.57,;-2.02,3.06,;-2.71,.48,;-4.25,.48,;-5.02,1.81,;-4.73,-.98,;-3.48,-1.89,;-2.24,-.98,;-.9,-1.75,;-4.95,-2.36,;-6.28,-1.59,;-7.61,-2.36,;-8.95,-1.59,;-7.61,-3.9,;-6.28,-4.67,;-4.95,-3.9,;-3.48,-4.38,;-2.58,-3.13,;-1.04,-3.13,;.3,-3.9,;1.39,-2.81,;-.15,-2.81,;-1.49,-2.05,;2.72,-3.58,;4.06,-2.81,;5.39,-3.58,;4.06,-1.27,)|
CC(C)N1C(=S)NC2(C1=O)c1cc(Br)ccc1CC21CCC(CC1)OC(F)F |(-2.56,-11.17,;-2.16,-12.66,;-.68,-13.06,;-3.25,-13.75,;-4.79,-13.75,;-5.56,-12.42,;-5.27,-15.21,;-4.02,-16.12,;-2.78,-15.21,;-1.68,-15.82,;-5.27,-17.02,;-6.78,-16.7,;-7.81,-17.85,;-9.29,-17.45,;-7.33,-19.31,;-5.82,-19.63,;-4.79,-18.49,;-3.25,-18.49,;-2.78,-17.02,;-1.28,-17.4,;-.19,-18.48,;1.15,-17.71,;-.35,-17.4,;-1.44,-16.25,;2.23,-18.8,;3.72,-18.4,;4.12,-16.91,;4.81,-19.49,)|
CC(C)N1C(=O)NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC(F)F)B1OC(C)(C)C(C)(C)O1 |(1.45,12.37,;-.03,12.77,;-.43,14.26,;-1.12,11.68,;-2.66,11.68,;-3.43,13.01,;-3.14,10.22,;-1.89,9.31,;-.65,10.22,;.69,9.45,;-3.36,8.83,;-4.69,9.6,;-6.03,8.83,;-6.03,7.29,;-4.69,6.52,;-3.36,7.29,;-1.89,6.82,;-.99,8.06,;.55,8.06,;1.89,7.3,;2.98,8.39,;1.44,8.39,;.1,9.15,;4.31,7.62,;5.65,8.39,;6.98,7.62,;5.65,9.93,;-7.36,9.6,;-8.82,9.13,;-9.73,10.37,;-11.06,11.14,;-11.06,9.6,;-8.82,11.62,;-8.05,12.95,;-9.59,12.95,;-7.36,11.14,)|
CN1C(=S)NC2(C1=O)c1cc(ccc1CC21CCC(F)(F)CC1)-c1cccc(c1)C#N
CN1C(=O)NC2(C1=O)c1cc(Br)ccc1CC21CCC(F)(F)CC1
COC1CCC2(CC1)C(C)(C)c1ccc(Br)cc1C21N=C(N)N(C)C1=O |t:22,(3.41,-25.55,;2.07,-26.32,;.74,-25.55,;-.03,-26.88,;-1.52,-26.46,;-3,-26.88,;-2.23,-25.55,;-.74,-25.97,;-3.9,-28.13,;-4.67,-29.46,;-3.13,-29.46,;-5.37,-27.65,;-6.7,-28.42,;-8.04,-27.65,;-8.04,-26.11,;-9.37,-25.34,;-6.7,-25.34,;-5.37,-26.11,;-3.9,-25.63,;-5.15,-24.73,;-4.67,-23.26,;-5.44,-21.93,;-3.13,-23.26,;-2.36,-21.93,;-2.66,-24.73,;-1.17,-25.13,)|
COC1CCC2(CC1)C(C)(C)c1ccc(cc1C21N=C(N)N(C)C1=O)C#N |t:21|
COC1CCC2(Cc3ccc(cc3C22NC(=S)N(Cc3nccs3)C2=O)C#CC2CC2)CC1 |(10.29,-24.61,;8.81,-25.01,;7.72,-23.92,;6.63,-25.01,;5.29,-24.25,;3.75,-24.25,;2.85,-25.49,;1.38,-25.02,;.05,-25.79,;-1.29,-25.02,;-1.29,-23.48,;.05,-22.71,;1.38,-23.48,;2.85,-23,;1.94,-21.75,;2.85,-20.51,;2.08,-19.17,;4.31,-20.98,;5.4,-19.9,;6.89,-20.29,;7.36,-21.76,;8.9,-21.76,;9.38,-20.29,;8.13,-19.39,;4.31,-22.52,;5.8,-22.92,;-2.62,-22.71,;-3.95,-21.94,;-5.29,-21.17,;-6.06,-19.83,;-6.83,-21.17,;4.84,-23.16,;6.18,-23.92,)|
COC1CCC2(Cc3ccc(cc3C22NC(=S)N(Cc3ncco3)C2=O)C#CC2CC2)CC1 |(5.37,-8.81,;3.83,-8.81,;3.06,-7.48,;1.58,-7.88,;.8,-6.55,;-.55,-5.8,;-1.45,-7.05,;-2.92,-6.57,;-4.25,-7.34,;-5.58,-6.57,;-5.58,-5.03,;-4.25,-4.26,;-2.92,-5.03,;-1.45,-4.56,;-2.36,-3.31,;-1.45,-2.06,;-2.22,-.73,;.01,-2.54,;1.35,-1.77,;2.68,-2.54,;3.16,-4,;4.7,-4,;5.17,-2.54,;3.93,-1.63,;.01,-4.08,;1.35,-4.85,;-6.92,-4.26,;-8.25,-3.49,;-9.59,-2.72,;-10.35,-1.39,;-11.12,-2.72,;.94,-5.4,;1.72,-6.73,)|
COCC(C)N1C(=S)NC2(C1=O)c1cc(Br)ccc1CC21CCC(CC1)OC |(3.55,-1,;2.07,-.6,;.98,-1.69,;-.51,-1.3,;-.91,.19,;-1.6,-2.38,;-3.06,-1.91,;-3.83,-.57,;-3.97,-3.15,;-3.06,-4.4,;-1.6,-3.92,;-.11,-4.32,;-4.53,-4.88,;-5.86,-4.11,;-7.2,-4.88,;-8.53,-4.11,;-7.2,-6.42,;-5.86,-7.19,;-4.53,-6.42,;-3.06,-6.89,;-2.16,-5.65,;-.62,-5.65,;.72,-6.41,;1.81,-5.32,;.27,-5.32,;-1.07,-4.56,;3.14,-6.09,;4.48,-5.32,)|
COCC(C)N1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCC(CC1)OC |c:7,(2.04,7.97,;.55,8.37,;-.54,7.28,;-2.02,7.68,;-2.42,9.17,;-3.11,6.59,;-4.58,7.07,;-5.35,8.4,;-5.48,5.82,;-4.58,4.58,;-3.11,5.05,;-1.62,4.65,;-6.04,4.1,;-7.37,4.87,;-8.71,4.1,;-10.04,4.87,;-8.71,2.56,;-7.37,1.79,;-6.04,2.56,;-4.58,2.08,;-3.67,3.33,;-2.13,3.33,;-.79,2.57,;.3,3.66,;-1.24,3.66,;-2.58,4.42,;1.63,2.89,;2.96,3.66,)|
COCC(C)N1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCC(CC1)OC |c:7,(-21.65,21.76,;-23.14,22.16,;-24.23,21.07,;-25.71,21.47,;-26.11,22.96,;-26.8,20.38,;-28.27,20.86,;-29.04,22.19,;-29.17,19.61,;-28.27,18.37,;-26.8,18.84,;-25.31,18.44,;-29.73,17.89,;-31.06,18.66,;-32.4,17.89,;-33.73,18.66,;-32.4,16.35,;-31.06,15.58,;-29.73,16.35,;-28.27,15.88,;-27.36,17.12,;-25.82,17.12,;-24.48,16.36,;-23.39,17.45,;-24.93,17.45,;-26.27,18.21,;-22.06,16.68,;-20.73,17.45,)|
COC1CCC2(Cc3ccc(cc3C22NC(=S)N(CCC(=O)OC)C2=O)C#CC2CC2)CC1 |(5.62,-8.76,;4.08,-8.76,;3.31,-7.42,;1.91,-8.06,;.92,-6.87,;-.53,-6.35,;-1.43,-7.6,;-2.9,-7.12,;-4.23,-7.89,;-5.56,-7.12,;-5.56,-5.58,;-4.23,-4.81,;-2.9,-5.58,;-1.43,-5.11,;-2.34,-3.86,;-1.43,-2.61,;-2.2,-1.28,;.03,-3.09,;1.12,-2,;2.61,-2.4,;3.7,-1.31,;3.3,.18,;5.19,-1.71,;6.28,-.62,;.03,-4.63,;1.52,-5.03,;-6.9,-4.81,;-8.23,-4.04,;-9.56,-3.27,;-10.33,-1.94,;-11.1,-3.27,;.88,-5.72,;1.86,-6.9,)|
COC1CCC2(Cc3ccc(cc3C22NC(=S)N(Cc3nnc(C)o3)C2=O)C#CC2CC2)CC1 |(5.8,-13.03,;4.32,-13.43,;3.23,-12.34,;2.14,-13.43,;.8,-12.67,;-.74,-12.67,;-1.65,-13.91,;-3.11,-13.44,;-4.44,-14.21,;-5.78,-13.44,;-5.78,-11.9,;-4.44,-11.13,;-3.11,-11.9,;-1.65,-11.42,;-2.55,-10.17,;-1.65,-8.93,;-2.42,-7.59,;-.18,-9.4,;.91,-8.32,;2.4,-8.71,;2.87,-10.18,;4.41,-10.18,;4.89,-8.71,;6.22,-7.94,;3.64,-7.81,;-.18,-10.94,;1.31,-11.34,;-7.11,-11.13,;-8.44,-10.36,;-9.78,-9.59,;-10.55,-8.25,;-11.32,-9.59,;.35,-11.58,;1.69,-12.34,)|
COC1CCC2(Cc3ccc(cc3C22NC(=S)N(Cc3cncnc3)C2=O)C#CC2CC2)CC1 |(5.74,-6.27,;4.4,-7.04,;3.07,-6.27,;1.98,-7.36,;.64,-6.6,;-.9,-6.6,;-1.8,-7.85,;-3.27,-7.37,;-4.6,-8.14,;-5.93,-7.37,;-5.93,-5.83,;-4.6,-5.06,;-3.27,-5.83,;-1.8,-5.35,;-2.71,-4.11,;-1.8,-2.86,;-2.57,-1.53,;-.34,-3.34,;.75,-2.25,;2.24,-2.65,;2.64,-4.14,;4.12,-4.53,;5.21,-3.45,;4.82,-1.96,;3.33,-1.56,;-.34,-4.88,;1.15,-5.28,;-7.27,-5.06,;-8.6,-4.29,;-9.94,-3.52,;-10.71,-2.19,;-11.48,-3.52,;.19,-5.51,;1.53,-6.27,)|
COC1CCC2(Cc3ccc(cc3C22NC(=S)N(CCF)C2=O)C#CC2CC2)CC1 |(5.02,-5.91,;3.69,-6.68,;2.36,-5.91,;1.27,-7,;-.07,-6.24,;-1.61,-6.24,;-2.51,-7.49,;-3.98,-7.01,;-5.31,-7.78,;-6.65,-7.01,;-6.65,-5.47,;-5.31,-4.7,;-3.98,-5.47,;-2.51,-4.99,;-3.42,-3.75,;-2.51,-2.5,;-3.28,-1.17,;-1.05,-2.98,;.04,-1.89,;1.53,-2.29,;2.62,-1.2,;-1.05,-4.52,;.44,-4.92,;-7.98,-4.7,;-9.31,-3.93,;-10.65,-3.16,;-11.42,-1.83,;-12.19,-3.16,;-.52,-5.15,;.82,-5.91,)|
COC1CCC2(Cc3ccc(cc3C22NC(=S)N(CCN(C)S(C)(=O)=O)C2=O)C#CC2CC2)CC1 |(11.17,-22.58,;9.69,-22.98,;8.6,-21.89,;7.51,-22.98,;6.17,-22.22,;4.63,-22.22,;3.73,-23.46,;2.26,-22.99,;.93,-23.76,;-.41,-22.99,;-.41,-21.45,;.93,-20.68,;2.26,-21.45,;3.73,-20.97,;2.82,-19.73,;3.73,-18.48,;2.96,-17.15,;5.19,-18.96,;6.28,-17.87,;7.77,-18.27,;8.86,-17.18,;10.34,-17.58,;8.46,-15.69,;8.06,-14.2,;6.97,-15.29,;9.55,-14.6,;5.19,-20.5,;6.68,-20.89,;-1.74,-20.68,;-3.07,-19.91,;-4.41,-19.14,;-5.18,-17.8,;-5.95,-19.14,;5.72,-21.13,;7.06,-21.89,)|
COCCN1C(=S)NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)C#CC1CC1 |(3.24,-7.05,;1.75,-6.65,;.66,-7.74,;-.82,-7.34,;-1.91,-8.43,;-3.38,-7.95,;-3.78,-6.46,;-4.28,-9.2,;-3.38,-10.44,;-1.93,-9.95,;-.6,-10.72,;-4.84,-10.92,;-6.18,-10.15,;-7.51,-10.92,;-7.51,-12.46,;-6.18,-13.23,;-4.84,-12.46,;-3.38,-12.94,;-2.47,-11.69,;-.98,-12.06,;.12,-13.15,;1.45,-12.38,;-.04,-12.06,;-1.14,-10.92,;2.54,-13.47,;4.03,-13.07,;-8.84,-10.15,;-10.18,-9.38,;-11.51,-8.61,;-12.28,-7.28,;-13.05,-8.61,)|
COCCN1C(=O)NC2(C1=O)c1cc(Br)ccc1CC21CCC(CC1)OC |(2.14,18,;.66,18.39,;-.43,17.31,;-1.92,17.7,;-3.01,16.62,;-4.47,17.09,;-4.87,18.58,;-5.38,15.85,;-4.47,14.6,;-3.01,15.08,;-1.47,15.08,;-5.94,14.12,;-7.27,14.89,;-8.61,14.12,;-9.94,14.89,;-8.61,12.58,;-7.27,11.81,;-5.94,12.58,;-4.47,12.11,;-3.57,13.35,;-2.08,12.98,;-.98,11.9,;.35,12.67,;-1.14,12.98,;-2.24,14.12,;1.44,11.58,;2.93,11.98,)|
COCCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)-c1cccc(c1)C#N |c:6,(-11.02,-1.44,;-12.5,-1.04,;-13.59,-2.13,;-15.08,-1.73,;-16.17,-2.82,;-17.63,-2.35,;-18.03,-.86,;-18.54,-3.59,;-17.63,-4.84,;-16.17,-4.36,;-14.83,-5.13,;-19.1,-5.31,;-20.43,-4.54,;-21.76,-5.31,;-21.76,-6.85,;-20.43,-7.62,;-19.1,-6.85,;-17.63,-7.33,;-16.73,-6.08,;-15.23,-6.4,;-14.14,-7.54,;-12.8,-6.77,;-14.3,-6.4,;-15.39,-5.31,;-11.72,-7.86,;-10.23,-7.46,;-23.1,-4.54,;-24.43,-5.31,;-25.77,-4.54,;-25.77,-3,;-24.43,-2.23,;-23.1,-3,;-24.43,-.69,;-24.43,.85,)|
COC1CCC2(Cc3ccc(CCC4CC4)cc3C22NC(=S)N(Cc3cccc(NS(C)(=O)=O)c3)C2=O)CC1 |(3.53,-15.04,;2.04,-15.44,;.95,-14.35,;-.38,-15.12,;-1.48,-14.04,;-2.97,-13.66,;-3.88,-14.91,;-5.34,-14.43,;-6.68,-15.2,;-8.01,-14.43,;-8.01,-12.89,;-9.35,-12.12,;-10.68,-12.89,;-12.01,-12.12,;-12.78,-10.79,;-13.55,-12.12,;-6.68,-12.12,;-5.34,-12.89,;-3.88,-12.42,;-4.78,-11.17,;-3.88,-9.93,;-4.28,-8.44,;-2.41,-10.4,;-1.33,-9.31,;.16,-9.71,;.56,-11.2,;2.05,-11.6,;3.14,-10.51,;2.84,-8.97,;3.94,-7.9,;3.56,-6.4,;3.18,-4.91,;5.06,-6.03,;2.07,-6.78,;1.25,-8.62,;-2.43,-11.93,;-1.1,-12.7,;-1.64,-12.89,;-.55,-14.04,)|
COC1CCC2(Cc3ccc(CCC4CC4)cc3C22NC(=S)N(CCN(C)C)C2=O)CC1 |(5.57,-7.43,;4.09,-7.83,;3,-6.74,;1.66,-7.51,;.57,-6.43,;-.92,-6.06,;-1.83,-7.3,;-3.29,-6.83,;-4.63,-7.6,;-5.96,-6.83,;-5.96,-5.29,;-7.3,-4.52,;-8.63,-5.29,;-9.96,-4.52,;-10.73,-3.18,;-11.5,-4.52,;-4.63,-4.52,;-3.29,-5.29,;-1.83,-4.81,;-2.73,-3.57,;-1.83,-2.32,;-2.23,-.83,;-.36,-2.8,;.72,-1.71,;2.21,-2.11,;3.3,-1.02,;4.79,-1.41,;2.9,.47,;-.36,-4.34,;.97,-5.11,;.41,-5.29,;1.5,-6.43,)|
COC1CCC2(Cc3ccc(CCC4CC4)cc3C22NC(=S)N(Cc3ncco3)C2=O)CC1 |(5.57,-7.27,;4.09,-7.67,;3,-6.58,;1.66,-7.35,;.57,-6.27,;-.92,-5.89,;-1.83,-7.14,;-3.29,-6.66,;-4.63,-7.43,;-5.96,-6.66,;-5.96,-5.12,;-7.29,-4.35,;-8.63,-5.12,;-9.96,-4.35,;-10.73,-3.02,;-11.5,-4.35,;-4.63,-4.35,;-3.29,-5.12,;-1.83,-4.65,;-2.73,-3.4,;-1.83,-2.15,;-2.23,-.67,;-.36,-2.63,;.72,-1.54,;2.21,-1.94,;3.46,-1.03,;4.7,-1.94,;4.23,-3.4,;2.69,-3.4,;-.36,-4.17,;.97,-4.94,;.41,-5.12,;1.5,-6.27,)|
COC1CCC2(Cc3ccc(CCC4CC4)cc3C22NC(=S)N(Cc3ccccc3C#N)C2=O)CC1 |(6.3,-7.44,;4.81,-7.84,;3.72,-6.75,;2.39,-7.52,;1.29,-6.44,;-.2,-6.06,;-1.11,-7.31,;-2.57,-6.83,;-3.91,-7.6,;-5.24,-6.83,;-5.24,-5.29,;-6.57,-4.52,;-7.91,-5.29,;-9.24,-4.52,;-10.01,-3.19,;-10.78,-4.52,;-3.91,-4.52,;-2.57,-5.29,;-1.11,-4.82,;-2.01,-3.57,;-1.11,-2.32,;-1.51,-.84,;.36,-2.8,;1.45,-1.71,;2.93,-2.11,;3.33,-3.6,;4.82,-4,;5.91,-2.91,;5.51,-1.42,;3.99,-.9,;3.6,.57,;3.2,2.05,;.34,-4.33,;1.58,-5.04,;1.13,-5.29,;2.23,-6.44,)|
COC1CCC2(Cc3ccc(cc3C22NC(=S)N(CCC(=O)OC(C)(C)C)C2=O)C#CC2CC2)CC1 |(4.53,-1.38,;2.99,-1.38,;1.9,-.29,;.56,-1.06,;-.53,.02,;-2.02,.4,;-2.93,-.85,;-4.39,-.37,;-5.73,-1.14,;-7.06,-.37,;-7.06,1.17,;-5.73,1.94,;-4.39,1.17,;-2.93,1.64,;-3.84,2.89,;-2.93,4.13,;-3.33,5.62,;-1.47,3.66,;-.38,4.75,;1.11,4.35,;2.2,5.44,;1.8,6.93,;3.69,5.04,;4.78,6.13,;5.87,7.22,;5.87,5.04,;3.69,7.22,;-1.48,2.13,;-.15,1.36,;-8.4,1.94,;-9.73,2.71,;-11.06,3.48,;-11.83,4.81,;-12.6,3.48,;-.63,1.1,;.4,.02,)|
COC1CCC2(Cc3ccc(cc3C22N=C(SCc3nncn3C)N(Cc3nncn3C)C2=O)C#CC2CC2)CC1 |t:16,(9.26,-20.56,;7.77,-20.96,;6.68,-19.87,;5.35,-20.64,;4.25,-19.56,;2.76,-19.18,;1.85,-20.43,;.39,-19.95,;-.95,-20.72,;-2.28,-19.95,;-2.28,-18.41,;-.95,-17.64,;.39,-18.41,;1.85,-17.94,;.95,-16.69,;1.85,-15.45,;1.45,-13.96,;-.03,-13.56,;-.43,-12.07,;-1.97,-12.07,;-2.45,-10.61,;-1.2,-9.7,;.04,-10.61,;1.38,-9.84,;3.32,-15.92,;4.41,-14.83,;5.89,-15.23,;6.37,-16.7,;7.91,-16.7,;8.38,-15.23,;7.14,-14.33,;7.14,-12.79,;3.32,-17.46,;4.65,-18.23,;-3.61,-17.64,;-4.95,-16.88,;-6.28,-16.1,;-7.05,-14.77,;-7.82,-16.1,;4.09,-18.41,;5.19,-19.56,)|
COC1CCC2(Cc3ccc(cc3C22N=C(SCC3CCO3)N(CC3CCO3)C2=O)C#CC2CC2)CC1 |t:16,(9.77,-15.3,;8.23,-15.3,;7.14,-14.21,;5.8,-14.98,;4.71,-13.89,;3.21,-13.52,;2.31,-14.77,;.84,-14.29,;-.49,-15.06,;-1.82,-14.29,;-1.82,-12.75,;-.49,-11.98,;.84,-12.75,;2.31,-12.27,;1.4,-11.03,;2.31,-9.78,;1.91,-8.3,;.66,-7.96,;-.43,-9.05,;-.43,-10.59,;-1.97,-10.59,;-1.97,-9.05,;3.77,-10.26,;4.86,-9.17,;6.35,-9.57,;7.12,-10.9,;8.45,-10.13,;7.68,-8.8,;3.77,-11.8,;5.11,-12.57,;-3.16,-11.98,;-4.49,-11.21,;-5.82,-10.44,;-6.59,-9.11,;-7.36,-10.44,;4.55,-12.75,;5.64,-13.89,)|
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COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(SCc3cscn3)N(Cc3cscn3)C2=O)CC1 |t:22,(5.49,-12.93,;4,-13.33,;2.92,-12.24,;1.83,-13.33,;.49,-12.56,;-1.05,-12.56,;-1.96,-13.81,;-3.42,-13.33,;-4.75,-14.1,;-6.09,-13.33,;-6.09,-11.79,;-7.42,-11.02,;-8.76,-11.79,;-10.09,-11.02,;-10.86,-9.69,;-11.63,-11.02,;-4.75,-11.02,;-3.42,-11.79,;-1.96,-11.32,;-2.86,-10.07,;-1.96,-8.83,;-2.35,-7.34,;-3.84,-6.94,;-4.24,-5.45,;-3.76,-3.99,;-5.01,-3.08,;-6.26,-3.99,;-5.78,-5.45,;-.49,-9.3,;.84,-8.53,;2.18,-9.3,;3.42,-8.4,;4.67,-9.3,;4.19,-10.77,;2.65,-10.77,;-.49,-10.84,;1,-11.24,;.04,-11.47,;1.38,-12.24,)|
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COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(Cc3ccc4nccnc4c3)C2=O)CC1 |t:22,(3.66,-14.03,;2.17,-14.43,;1.08,-13.34,;-.01,-14.43,;-1.35,-13.67,;-2.89,-13.67,;-3.79,-14.91,;-5.26,-14.44,;-6.59,-15.21,;-7.92,-14.44,;-7.92,-12.9,;-9.26,-12.13,;-10.59,-12.9,;-11.92,-12.13,;-12.69,-10.79,;-13.46,-12.13,;-6.59,-12.13,;-5.26,-12.9,;-3.79,-12.42,;-4.7,-11.18,;-3.79,-9.93,;-4.19,-8.44,;-2.33,-10.41,;-1.24,-9.32,;.25,-9.72,;.65,-11.2,;2.14,-11.6,;3.22,-10.51,;4.71,-10.91,;5.8,-9.82,;5.4,-8.34,;3.92,-7.94,;2.83,-9.03,;1.34,-8.63,;-2.33,-11.95,;-.84,-12.35,;-1.8,-12.58,;-.46,-13.34,)|
CCCCN1C(N)=NC2(C1=O)c1cc(OCC3CC3)ccc1CC21CCC(CC1)OC |c:6,(4.69,2.51,;3.2,2.91,;2.11,1.82,;.62,2.22,;-.47,1.13,;-1.93,1.6,;-2.47,3.18,;-2.84,.36,;-1.93,-.89,;-.47,-.41,;1.02,-.81,;-3.4,-1.36,;-4.73,-.59,;-6.06,-1.36,;-7.4,-.59,;-8.73,-1.36,;-10.07,-.59,;-10.84,.74,;-11.61,-.59,;-6.06,-2.9,;-4.73,-3.67,;-3.4,-2.9,;-1.93,-3.38,;-1.03,-2.13,;.51,-2.13,;1.85,-2.9,;2.94,-1.81,;1.4,-1.81,;.06,-1.04,;4.03,-2.9,;5.52,-2.5,)|
COC1CCC2(Cc3ccc(CCC4CC4)cc3C22NC(=S)N(Cc3nccs3)C2=O)CC1 |(5.81,-11.3,;4.32,-11.7,;3.23,-10.61,;2.15,-11.7,;.81,-10.93,;-.73,-10.93,;-1.64,-12.18,;-3.1,-11.7,;-4.44,-12.47,;-5.77,-11.7,;-5.77,-10.16,;-7.1,-9.39,;-8.44,-10.16,;-9.77,-9.39,;-10.54,-8.06,;-11.31,-9.39,;-4.44,-9.39,;-3.1,-10.16,;-1.64,-9.69,;-2.54,-8.44,;-1.64,-7.2,;-2.49,-5.72,;-.17,-7.67,;1.16,-6.9,;2.49,-7.67,;3.74,-6.77,;4.99,-7.67,;4.51,-9.14,;2.97,-9.14,;-.17,-9.21,;1.31,-9.61,;.36,-9.84,;1.69,-10.61,)|
COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(Cc3ccc(cc3)C#N)C2=O)CC1 |t:22,(2.61,-8.35,;1.12,-8.75,;.35,-7.41,;-.98,-8.18,;-2.08,-7.1,;-3.57,-6.73,;-4.48,-7.97,;-5.94,-7.5,;-7.27,-8.27,;-8.61,-7.5,;-8.61,-5.96,;-9.94,-5.19,;-11.28,-5.96,;-12.61,-5.19,;-14.15,-5.19,;-13.38,-3.85,;-7.27,-5.19,;-5.94,-5.96,;-4.48,-5.48,;-5.38,-4.23,;-4.48,-2.99,;-5.25,-1.65,;-3.01,-3.46,;-1.68,-2.69,;-.19,-3.09,;.21,-4.58,;1.7,-4.98,;2.88,-3.88,;2.39,-2.4,;.9,-2,;4.37,-4.26,;5.86,-4.65,;-3.01,-5,;-1.68,-5.77,;-2.24,-5.96,;-1.14,-7.1,)|
COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)N(Cc3cccc(c3)S(C)(=O)=O)C2=O)CC1 |t:22,(.84,-18.08,;-.65,-18.48,;-1.74,-17.39,;-2.83,-18.48,;-4.08,-17.72,;-5.71,-17.72,;-6.61,-18.96,;-8.08,-18.49,;-9.41,-19.26,;-10.74,-18.49,;-10.74,-16.95,;-12.08,-16.18,;-13.41,-16.95,;-14.75,-16.18,;-15.51,-14.84,;-16.29,-16.18,;-9.41,-16.18,;-8.08,-16.95,;-6.61,-16.47,;-7.52,-15.23,;-6.61,-13.98,;-7.38,-12.65,;-5.15,-14.46,;-4.06,-13.37,;-2.57,-13.76,;-1.48,-12.68,;.01,-13.07,;.4,-14.56,;-.63,-15.88,;-2.17,-15.25,;-.14,-17.58,;1.39,-16.65,;.73,-19.28,;-1.56,-18.92,;-5.15,-16,;-3.66,-16.39,;-4.62,-16.63,;-3.28,-17.39,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22NC(=O)N(Cc3ccccc3)C2=O)CC1 |r,wD:5.5,2.1,(1.73,5.37,;.96,4.03,;-.58,4.03,;-1.35,5.37,;-2.89,5.37,;-3.66,4.03,;-4.57,2.79,;-6.03,3.26,;-7.37,2.49,;-8.7,3.26,;-8.7,4.8,;-10.03,5.57,;-7.37,5.57,;-6.03,4.8,;-4.57,5.28,;-5.47,6.52,;-4.57,7.77,;-5.34,9.1,;-3.1,7.29,;-2.33,8.63,;-.79,8.63,;-.02,7.29,;1.52,7.29,;2.29,8.63,;1.52,9.96,;-.02,9.96,;-3.1,5.75,;-1.56,5.75,;-2.89,2.7,;-1.35,2.7,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)C#N)CC1 |r,wD:5.5,2.1,t:16,(1.73,11.48,;.96,10.15,;-.58,10.15,;-1.35,11.48,;-2.89,11.48,;-3.66,10.15,;-4.57,8.9,;-6.03,9.38,;-7.37,8.61,;-8.7,9.38,;-8.7,10.92,;-7.37,11.69,;-6.03,10.92,;-4.57,11.4,;-5.47,12.64,;-4.57,13.89,;-5.34,15.22,;-3.1,13.41,;-2.33,14.74,;-.79,14.74,;-.02,13.41,;1.52,13.41,;2.29,14.74,;1.52,16.08,;-.02,16.08,;-3.1,11.87,;-1.56,11.87,;-10.03,11.69,;-11.37,10.92,;-2.89,8.82,;-1.35,8.82,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)C(O)=O)CC1 |r,wD:5.5,2.1,t:16,(1.73,11.48,;.96,10.15,;-.58,10.15,;-1.35,11.48,;-2.89,11.48,;-3.66,10.15,;-4.57,8.9,;-6.03,9.38,;-7.37,8.61,;-8.7,9.38,;-8.7,10.92,;-7.37,11.69,;-6.03,10.92,;-4.57,11.4,;-5.47,12.64,;-4.57,13.89,;-5.34,15.22,;-3.1,13.41,;-2.33,14.74,;-.79,14.74,;-.02,13.41,;1.52,13.41,;2.29,14.74,;1.52,16.08,;-.02,16.08,;-3.1,11.87,;-1.56,11.87,;-10.03,11.69,;-11.37,10.92,;-10.03,13.23,;-2.89,8.82,;-1.35,8.82,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22NC(=O)N(C(C)c3cccnn3)C2=O)CC1 |r,wD:5.5,2.1,(1.4,-16.74,;.63,-18.08,;-.91,-18.08,;-1.68,-16.74,;-3.22,-16.74,;-3.99,-18.08,;-4.89,-19.32,;-6.36,-18.85,;-7.69,-19.62,;-9.03,-18.85,;-9.03,-17.31,;-10.36,-16.54,;-7.69,-16.54,;-6.36,-17.31,;-4.89,-16.83,;-6.14,-15.92,;-5.66,-14.46,;-6.43,-13.13,;-4.12,-14.46,;-3.35,-13.13,;-4.12,-11.79,;-1.81,-13.13,;-1.04,-14.46,;.5,-14.46,;1.27,-13.13,;.5,-11.79,;-1.04,-11.79,;-3.65,-15.92,;-2.11,-15.92,;-3.22,-19.41,;-1.68,-19.41,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22N=C(N)N(C(C)c3cccnn3)C2=O)CC1 |r,wD:5.5,2.1,t:17,(1.72,6.54,;.95,5.21,;-.59,5.21,;-1.36,6.54,;-2.9,6.54,;-3.67,5.21,;-4.57,3.96,;-6.04,4.44,;-7.37,3.67,;-8.7,4.44,;-8.7,5.98,;-10.04,6.75,;-7.37,6.75,;-6.04,5.98,;-4.57,6.45,;-5.82,7.36,;-5.34,8.82,;-6.11,10.16,;-3.8,8.82,;-3.03,10.16,;-3.8,11.49,;-1.49,10.16,;-.72,8.82,;.82,8.82,;1.59,10.16,;.82,11.49,;-.72,11.49,;-3.33,7.36,;-1.79,7.36,;-2.9,3.87,;-1.36,3.87,)|
CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnc1F |r,c:3|
CN1C(NC(=O)OC(C)(C)C)=NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1 |c:10|
CN1C(N)=NC2(C1=O)c1cc(CCC3CC3)ccc1CC21CCc2ccccc2CC1 |c:3|
CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)C#CC1CC1 |c:3|
COc1ccc2CC3(CCc4ccccc4CC3)C3(NC(=S)N(C)C3=O)c2c1
COCCOc1ccc2CC3(CCc4ccccc4CC3)[C@@]3(N=C(N)N(C)C3=O)c2c1 |r,t:24|
COCCOc1ccc2CC3(CCc4ccccc4CC3)[C@]3(N=C(N)N(C)C3=O)c2c1 |r,t:24|
CN1C(=S)NC2(C1=O)c1cc(OCC3CC3)ccc1CC21CCc2ccccc2CC1
CC(C)N1C(=S)NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1
CC(C)N1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1 |c:5|
CC(C)N1C(=O)NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1
CC(C)N1C(=O)NC2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)B1OC(C)(C)C(C)(C)O1
CC(C)N1C(=S)NC2(C1=O)c1cc(OCC(F)(F)F)ccc1CC21CCc2ccccc2CC1
COCCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnc1F |c:6|
COCCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cncc(F)c1 |c:6|
COCCN1C(=O)NC2(C1=O)c1cc(Br)ccc1CC21CCc2ccccc2CC1
CN1C(N)=NC2(C1=O)c1cc(ccc1OC21CCc2ccccc2CC1)-c1cccc(c1)C#N |c:3|
CN1C(N)=NC2(C1=O)c1cc(Br)ccc1OC21CCc2ccccc2CC1 |c:3|
CN1C(NC(=O)OC(C)(C)C)=NC2(C1=O)c1cc(Br)ccc1OC21CCc2ccccc2CC1 |c:10|
CN1C(N)=NC2(C1=O)c1cc(CCC3CC3)ccc1OC21CCc2ccccc2CC1 |c:3|
CN1C(N)=NC2(C1=O)c1ccccc1OC21CCc2ccccc2CC1 |c:3|
CN1C(N)=NC2(C1=O)c1cc(ccc1OC21CCc2ccccc2CC1)C#N |c:3|
CN1C(=S)NC2(C1=O)c1cc(OCC3CC3)ccc1OC21CCc2ccccc2CC1
CN1C(=S)NC2(C1=O)c1cc(OCC(F)(F)F)ccc1OC21CCc2ccccc2CC1
CC(C)N1C(=S)NC2(C1=O)c1cc(Br)ccc1OC21CCc2ccccc2CC1
CC(C)N1C(N)=NC2(C1=O)c1cc(Br)ccc1OC21CCc2ccccc2CC1 |c:5|
COC1CCC2(Cc3ccc(Br)cc3C22NC(=S)N(C2=O)C(C)(C)C)CC1 |(4.38,-4.47,;3.23,-3.44,;1.77,-3.92,;.62,-2.89,;-.69,-3.52,;-1.16,-4.87,;-1.64,-6.33,;-3.18,-6.33,;-4.21,-7.48,;-5.71,-7.16,;-6.19,-5.69,;-7.7,-5.37,;-5.16,-4.55,;-3.65,-4.87,;-2.41,-3.96,;-1.16,-3.06,;-1.64,-1.59,;-4.64,.09,;-3.18,-1.59,;-3.65,-3.06,;0,-3.04,;-4.64,-1.12,;-6.11,-.64,;-5.55,-2.36,;-5.12,.35,;-.02,-5.9,;1.45,-5.42,)|
COC1CCC2(Cc3ccc(Br)cc3C22NC(=S)N(C3COC3)C2=O)CC1
COC1CCC2(Cc3ccc(Br)cc3C22NC(=S)N(C3CCOCC3)C2=O)CC1 |(3.53,-6.61,;1.99,-6.61,;1.22,-5.28,;-.12,-6.05,;-1.21,-4.91,;-2.7,-4.59,;-3.61,-5.84,;-5.07,-5.36,;-6.41,-6.13,;-7.74,-5.36,;-7.74,-3.82,;-9.08,-3.05,;-6.41,-3.05,;-5.07,-3.82,;-3.61,-3.35,;-4.52,-2.1,;-3.61,-.86,;-4.38,.48,;-2.15,-1.33,;-1.06,-.24,;.43,-.64,;1.52,.45,;1.12,1.93,;-.37,2.33,;-1.46,1.24,;-2.15,-2.87,;-.81,-3.64,;-1.37,-3.82,;-.28,-4.91,)|
COC1CCC2(Cc3ccc(Br)cc3C22NC(=S)N(N(C)C)C2=O)CC1 |(3.54,-5.49,;2,-5.49,;1.23,-4.16,;-.1,-4.93,;-1.2,-3.79,;-2.69,-3.47,;-3.59,-4.72,;-5.06,-4.24,;-6.39,-5.01,;-7.73,-4.24,;-7.73,-2.7,;-9.06,-1.93,;-6.39,-1.93,;-5.06,-2.7,;-3.59,-2.23,;-4.5,-.98,;-3.59,.26,;-4.36,1.6,;-2.13,-.21,;-.8,.56,;.54,-.21,;-.03,1.89,;-2.13,-1.75,;-.8,-2.52,;-1.36,-2.7,;-.26,-3.79,)|
COC1CCC2(Cc3ccc(Br)cc3C22NC(=S)N(C3CCN(C)CC3)C2=O)CC1 |(3.53,-4.79,;1.99,-4.79,;1.22,-3.45,;-.12,-4.22,;-1.21,-3.08,;-2.7,-2.77,;-3.61,-4.01,;-5.07,-3.54,;-6.41,-4.31,;-7.74,-3.54,;-7.74,-2,;-9.08,-1.23,;-6.41,-1.23,;-5.07,-2,;-3.61,-1.52,;-4.52,-.28,;-3.61,.97,;-4.38,2.3,;-2.15,.49,;-1.06,1.58,;.43,1.18,;1.52,2.27,;1.12,3.76,;2.21,4.85,;-.37,4.16,;-1.46,3.07,;-2.15,-1.05,;-.81,-1.82,;-1.37,-2,;-.28,-3.08,)|
COC1CCC2(Cc3ccc(Br)cc3C22COS(=O)(=O)N2CC=C)CC1 |(4.3,.72,;3.53,-.61,;1.99,-.61,;1.22,.72,;-.16,.57,;-1.09,-.61,;-1.99,-1.86,;-3.46,-1.38,;-4.79,-2.15,;-6.12,-1.38,;-6.12,.16,;-7.46,.93,;-4.79,.93,;-3.46,.16,;-1.99,.63,;-.53,1.11,;-.53,2.65,;-1.99,3.12,;-3.32,3.89,;-1.59,4.61,;-2.9,1.88,;-4.44,1.88,;-5.21,3.21,;-6.75,3.21,;-.32,-1.95,;1.22,-1.95,)|
COC1CCC2(Cc3ccc(Br)cc3C22CCSC(N)=N2)CC1 |c:21,(9.42,-16.84,;8.65,-18.17,;7.11,-18.17,;6.34,-16.84,;4.96,-16.99,;4.03,-18.17,;3.13,-19.42,;1.66,-18.94,;.33,-19.71,;-1,-18.94,;-1,-17.4,;-2.34,-16.63,;.33,-16.63,;1.66,-17.4,;3.13,-16.93,;4.61,-16.53,;5.01,-15.04,;3.92,-13.95,;2.44,-14.35,;1.35,-13.26,;2.04,-15.84,;4.8,-19.51,;6.34,-19.51,)|
COC1CCC2(CC1)Oc1ccc(cc1C21CCSC(N)=N1)-c1cccc(c1)C#N |c:23,(-8.14,-4.99,;-9.63,-5.39,;-10.72,-4.3,;-12.2,-4.7,;-12.98,-3.37,;-14.33,-2.62,;-12.84,-2.22,;-12.06,-3.55,;-15.23,-3.87,;-16.7,-3.39,;-18.03,-4.16,;-19.36,-3.39,;-19.36,-1.85,;-18.03,-1.08,;-16.7,-1.85,;-15.23,-1.38,;-13.74,-.98,;-13.35,.51,;-14.44,1.6,;-15.92,1.2,;-17.01,2.29,;-16.32,-.29,;-20.7,-1.08,;-22.03,-1.85,;-23.37,-1.08,;-23.37,.46,;-22.03,1.28,;-20.7,.46,;-22.03,2.82,;-22.03,4.36,)|
NC1=NC2(CCS1)c1cc(Br)ccc1CC21CCc2ccccc2CC1 |t:1|
NC1=NC2(CCS1)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccc(c1)C#N |t:1|
COC1CCC2(Cc3ccc(Br)cc3C22CSC(N)=N2)CC1 |c:20,(3.92,-2.16,;2.57,-1.41,;2.55,.13,;1.06,-.27,;.28,1.06,;-1.06,1.81,;-1.97,.56,;-3.43,1.04,;-4.77,.27,;-6.1,1.04,;-6.1,2.58,;-7.43,3.35,;-4.77,3.35,;-3.43,2.58,;-1.97,3.06,;-.5,3.53,;-.5,5.07,;-1.97,5.55,;-2.37,7.04,;-2.87,4.3,;.43,2.21,;1.2,.88,)|
NC1=NC2(CS1)c1cc(Br)ccc1CC21CCC(O)CC1 |t:1,(-2.37,7.04,;-1.97,5.55,;-2.87,4.3,;-1.97,3.06,;-.5,3.53,;-.5,5.07,;-3.43,2.58,;-4.77,3.35,;-6.1,2.58,;-7.43,3.35,;-6.1,1.04,;-4.77,.27,;-3.43,1.04,;-1.97,.56,;-1.06,1.81,;.28,1.06,;1.06,-.27,;2.55,.13,;2.57,-1.41,;1.2,.88,;.43,2.21,)|
CCN1CC2(N=C1N)c1cc(ccc1CC21CCC(CC1)OC)-c1cc(F)cc(Cl)c1 |c:5,(.49,7.34,;.66,5.81,;-.59,4.91,;-.59,3.37,;-2.06,2.89,;-2.96,4.14,;-2.06,5.38,;-2.45,6.87,;-3.52,2.42,;-4.85,3.19,;-6.19,2.42,;-6.19,.88,;-4.85,.11,;-3.52,.88,;-2.06,.4,;-1.15,1.65,;-.23,2.83,;1.16,2.98,;1.93,1.65,;1.16,.31,;-.38,.31,;3.47,1.65,;4.24,2.98,;-7.52,3.19,;-8.85,2.42,;-10.19,3.19,;-11.52,2.42,;-10.19,4.73,;-8.85,5.5,;-8.85,7.04,;-7.52,4.73,)|
COC1CCC2(Cc3ccc(Br)cc3C22CN(CC(F)(F)F)C(N)=N2)CC1 |c:25,(10.04,-8.02,;8.71,-8.79,;7.37,-8.02,;6.04,-8.79,;4.95,-7.64,;3.45,-7.33,;2.98,-8.79,;1.44,-8.79,;.41,-9.94,;-1.1,-9.62,;-1.58,-8.15,;-3.06,-7.75,;-.55,-7.01,;.96,-7.33,;2.21,-6.42,;3.45,-5.52,;2.98,-4.05,;3.88,-2.81,;3.25,-1.4,;2.63,.01,;4.66,-.77,;1.85,-2.03,;1.44,-4.05,;.67,-2.72,;.96,-5.52,;4.79,-6.56,;5.88,-7.64,)|
CN1C(N)=NC2(C1=O)c1cc(Br)ccc1OC21CCN(CC1)C(C)=O |c:3|
CN1C(N)=NC2(C1=O)c1cc(ccc1OC21CCN(CC1)C(C)=O)-c1cccc(c1)C#C |c:3|
CN1OC2(N=C1N)c1cc(Br)ccc1OC21CCc2onc(C)c2C1 |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2onc(C)c2C1)-c1cccc(c1)C#N |c:4|
CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCc2onc(C)c2C1 |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2onc(C)c2C1)-c1cncc(Cl)c1 |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2onc(C)c2C1)-c1cc(F)cc(Cl)c1 |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)C1CC1 |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21Cc2cnncc2C1)-c1cccc(c1)C#N |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cnncc2CC1)-c1cccc(c1)C#N |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCCc2cnncc2C1)-c1cccc(c1)C#N |c:4|
FC(F)(F)S(=O)(=O)OC1=CCC2(Cc3ccc(cc3C2=O)-c2cccc(c2)C#N)CC1 |t:8|
CO[C@H]1CC[C@@]2(Cc3ccc(CC4CCCCC4)cc3C22N=C(N)N(C(C)C)C2=O)CC1 |r,wD:5.5,2.1,t:24,(7.88,-3.66,;7.11,-2.33,;5.57,-2.33,;4.8,-.99,;3.26,-.99,;2.49,-2.33,;1.59,-3.57,;.12,-3.1,;-1.21,-3.87,;-2.55,-3.1,;-2.55,-1.56,;-3.88,-.79,;-5.21,-1.56,;-6.55,-.79,;-7.88,-1.56,;-7.88,-3.1,;-6.55,-3.87,;-5.21,-3.1,;-1.21,-.79,;.12,-1.56,;1.59,-1.08,;.34,-.18,;.82,1.29,;.05,2.62,;2.36,1.29,;3.44,2.38,;3.05,3.87,;4.93,1.98,;2.83,-.18,;4.37,-.18,;3.26,-3.66,;4.8,-3.66,)|
CN1OC2(N=C1N)c1cc(Br)ccc1C[C@@]21C[C@@H]1c1ccccc1 |r,c:4|
CSC1=NC2(C(=O)N1C)c1cc(Br)ccc1CC21CCc2noc(C)c2C1 |t:2|
CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2noc(C)c2C1)-c1cccc(c1)C#N |c:3|
CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2noc(C)c2C1)-c1cc(F)cc(Cl)c1 |c:3|
CN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CCc2noc(C)c2C1 |c:3|
CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2noc(C)c2C1)-c1cccc(Cl)c1 |c:3|
CN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCc2noc(C)c2C1)-c1cncc(Cl)c1 |c:3|
CSC1=NC2(C(=O)N1C)c1cc(ccc1CC21CCc2noc(C)c2C1)C#CC1CC1 |t:2|
CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCc2noc(C)c2C1 |c:4|
CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCc2c(C1)c(C)nn2C |c:4|
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2c(C1)c(C)nn2C)-c1cc(F)cc(Cl)c1 |c:4|
CN1C(N)=NC2(C1=O)c1cc(ccc1CC21Cc2cnncc2C1)-c1cccc(c1)C#N |c:3|
CN1C(N)=NC2(CC3(CC=CC3)c3ccc(Br)cc23)C1=O |c:3,9|
COC1CCC2(Cc3ccc(cc3C22N=C(NC(C)=O)N(C)C2=O)C#CC2CC2)CC1 |t:16|
COC1CCC2(Cc3ccc(O)cc3C22ON(C)C(N)=N2)CC1 |c:21,(10.32,-19.99,;8.99,-20.76,;7.65,-19.99,;6.56,-21.08,;5.23,-20.32,;3.69,-20.32,;2.78,-21.56,;1.32,-21.09,;-.02,-21.86,;-1.35,-21.09,;-1.35,-19.55,;-2.68,-18.78,;-.02,-18.78,;1.32,-19.55,;2.78,-19.07,;4.25,-18.6,;4.25,-17.06,;5.58,-16.29,;2.78,-16.58,;2.01,-15.25,;1.88,-17.83,;4.78,-19.23,;6.11,-19.99,)|
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C2=CC(O)CC2)CC1 |t:16,24|
COC1CCC2(Cc3ccc(cc3[C@@]22N=C(N)N(C)C2=O)C#CC2CC2)CC1 |r,wU:13.15,t:16,(9.57,-18.81,;8.23,-18.06,;8.2,-16.52,;6.71,-16.92,;5.94,-15.59,;4.59,-14.85,;3.69,-16.09,;2.22,-15.62,;.89,-16.39,;-.45,-15.62,;-.45,-14.08,;.89,-13.31,;2.22,-14.08,;3.69,-13.6,;2.44,-12.69,;2.92,-11.23,;2.15,-9.9,;4.46,-11.23,;5.23,-9.9,;4.93,-12.69,;6.27,-13.46,;-1.78,-13.31,;-3.11,-12.54,;-4.45,-11.77,;-5.22,-10.43,;-5.99,-11.77,;6.08,-14.45,;6.86,-15.78,)|
COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C)C2=O)C#CC2CC2)CC1 |r,wD:13.15,t:16,(9.57,-18.81,;8.23,-18.06,;8.2,-16.52,;6.71,-16.92,;5.94,-15.59,;4.59,-14.85,;3.69,-16.09,;2.22,-15.62,;.89,-16.39,;-.45,-15.62,;-.45,-14.08,;.89,-13.31,;2.22,-14.08,;3.69,-13.6,;2.44,-12.69,;2.92,-11.23,;2.15,-9.9,;4.46,-11.23,;5.23,-9.9,;4.93,-12.69,;6.27,-13.46,;-1.78,-13.31,;-3.11,-12.54,;-4.45,-11.77,;-5.22,-10.43,;-5.99,-11.77,;6.08,-14.45,;6.86,-15.78,)|
COC1CCC2(Cc3ccc(cc3[C@@]22N=C(N)N(C)C2=O)-c2cc(Cl)cc(Cl)c2)CC1 |r,wU:13.15,t:16,(7.94,-3.29,;6.45,-3.69,;5.36,-2.6,;4.03,-3.37,;2.95,-2.26,;1.45,-1.89,;.55,-3.14,;-.92,-2.66,;-2.25,-3.43,;-3.58,-2.66,;-3.58,-1.12,;-2.25,-.35,;-.92,-1.12,;.55,-.65,;-.7,.26,;-.22,1.72,;-.99,3.06,;1.32,1.72,;2.09,3.06,;1.79,.26,;3.13,-.51,;-4.92,-.35,;-6.25,-1.12,;-7.58,-.35,;-8.92,-1.12,;-7.58,1.19,;-6.25,1.96,;-6.25,3.5,;-4.92,1.19,;2.79,-1.12,;3.87,-2.23,)|
COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C)C2=O)-c2cc(Cl)cc(Cl)c2)CC1 |r,wD:13.15,t:16,(7.94,-3.29,;6.45,-3.69,;5.36,-2.6,;4.03,-3.37,;2.95,-2.26,;1.45,-1.89,;.55,-3.14,;-.92,-2.66,;-2.25,-3.43,;-3.58,-2.66,;-3.58,-1.12,;-2.25,-.35,;-.92,-1.12,;.55,-.65,;-.7,.26,;-.22,1.72,;-.99,3.06,;1.32,1.72,;2.09,3.06,;1.79,.26,;3.13,-.51,;-4.92,-.35,;-6.25,-1.12,;-7.58,-.35,;-8.92,-1.12,;-7.58,1.19,;-6.25,1.96,;-6.25,3.5,;-4.92,1.19,;2.79,-1.12,;3.87,-2.23,)|
CCC(C)N1C(N)=NC2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)C#N |r,wD:18.19,21.27,c:6,(4.1,3.91,;3.33,2.58,;1.79,2.58,;1.02,3.91,;1.02,1.24,;-.52,1.24,;-1.29,2.58,;-.99,-.22,;.25,-1.13,;1.5,-.22,;3.04,-.22,;-1.21,-1.6,;-2.55,-.83,;-3.88,-1.6,;-3.88,-3.14,;-2.55,-3.91,;-1.21,-3.14,;.25,-3.62,;1.16,-2.37,;1.93,-1.04,;3.47,-1.04,;4.24,-2.37,;3.47,-3.71,;1.93,-3.71,;5.78,-2.37,;6.55,-3.71,;-5.21,-.83,;-6.55,-.06,)|
CCCCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)C#N |c:6,(5.32,4.15,;3.78,4.15,;3.01,2.82,;1.47,2.82,;.7,1.48,;-.84,1.48,;-1.61,2.82,;-1.31,.02,;-.07,-.89,;1.18,.02,;2.72,.02,;-1.53,-1.36,;-2.86,-.59,;-4.2,-1.36,;-4.2,-2.9,;-2.86,-3.67,;-1.53,-2.9,;-.07,-3.38,;.84,-2.13,;2.33,-2.44,;3.43,-3.59,;4.76,-2.82,;3.27,-2.44,;2.17,-1.36,;5.53,-4.15,;6.87,-3.38,;-5.53,-.59,;-6.87,.18,)|
COCCOc1ccc2CC3(CCC(CC3)OC)[C@]3(N=C(N)N(C)C3=O)c2c1 |r,wU:18.19,t:20,(-8.02,-10.44,;-6.69,-11.21,;-5.35,-10.44,;-4.02,-11.21,;-2.68,-10.44,;-1.35,-11.21,;-1.35,-12.75,;-.02,-13.52,;1.32,-12.75,;2.78,-13.22,;3.69,-11.98,;5.23,-11.98,;6.56,-12.74,;7.65,-11.65,;6.11,-11.65,;4.78,-10.89,;8.99,-12.42,;10.32,-11.65,;2.78,-10.73,;1.54,-9.82,;2.01,-8.36,;1.24,-7.03,;3.55,-8.36,;4.32,-7.03,;4.03,-9.82,;5.51,-10.22,;1.32,-11.21,;-.02,-10.44,)|
COCCOc1ccc2CC3(CCC(CC3)OC)[C@@]3(N=C(N)N(C)C3=O)c2c1 |r,wD:18.19,t:20,(-8.02,-10.44,;-6.69,-11.21,;-5.35,-10.44,;-4.02,-11.21,;-2.68,-10.44,;-1.35,-11.21,;-1.35,-12.75,;-.02,-13.52,;1.32,-12.75,;2.78,-13.22,;3.69,-11.98,;5.23,-11.98,;6.56,-12.74,;7.65,-11.65,;6.11,-11.65,;4.78,-10.89,;8.99,-12.42,;10.32,-11.65,;2.78,-10.73,;1.54,-9.82,;2.01,-8.36,;1.24,-7.03,;3.55,-8.36,;4.32,-7.03,;4.03,-9.82,;5.51,-10.22,;1.32,-11.21,;-.02,-10.44,)|
CCCN1C(N)=NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC)C#N |c:5,(3.78,4.15,;3.01,2.82,;1.47,2.82,;.7,1.48,;-.84,1.48,;-1.61,2.82,;-1.31,.02,;-.07,-.89,;1.18,.02,;2.72,.02,;-1.53,-1.36,;-2.86,-.59,;-4.2,-1.36,;-4.2,-2.9,;-2.86,-3.67,;-1.53,-2.9,;-.07,-3.38,;.84,-2.13,;2.33,-2.44,;3.43,-3.59,;4.76,-2.82,;3.27,-2.44,;2.17,-1.36,;5.53,-4.15,;6.87,-3.38,;-5.53,-.59,;-6.87,.18,)|
COCCOc1ccc2CC3(CCC(CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 |t:20,(-8.97,-.37,;-7.64,-1.14,;-6.3,-.37,;-4.97,-1.14,;-3.63,-.37,;-2.3,-1.14,;-2.3,-2.68,;-.97,-3.45,;.37,-2.68,;1.83,-3.15,;2.74,-1.91,;4.23,-2.22,;5.33,-3.37,;6.66,-2.6,;5.17,-2.22,;4.07,-1.14,;7.43,-3.93,;8.97,-3.93,;1.83,-.66,;.93,.58,;1.83,1.83,;1.06,3.16,;3.3,1.35,;4.38,2.44,;5.87,2.04,;3.99,3.93,;3.3,-.19,;4.63,-.96,;.37,-1.14,;-.97,-.37,)|
COC1CCC2(Cc3ccc(cc3C22NC(=O)N(C(C)C)C2=O)B2OC(C)(C)C(C)(C)O2)CC1 |(5.71,-3.4,;4.22,-3.8,;3.13,-2.71,;1.8,-3.48,;.7,-2.4,;-.79,-2.03,;-1.7,-3.27,;-3.16,-2.8,;-4.5,-3.57,;-5.83,-2.8,;-5.83,-1.26,;-4.5,-.49,;-3.16,-1.26,;-1.7,-.78,;-2.6,.46,;-1.7,1.71,;-2.47,3.04,;-.23,1.23,;.85,2.32,;2.34,1.92,;.46,3.81,;-.23,-.31,;1.31,-.31,;-7.16,-.49,;-7.16,1.05,;-8.63,1.53,;-7.86,2.86,;-9.4,2.86,;-9.53,.28,;-10.87,1.05,;-10.87,-.49,;-8.63,-.96,;.54,-1.26,;1.64,-2.4,)|
CO[C@H]1CC[C@@]2(Cc3ccc(CC4CCCCC4)cc3C22ON(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:28,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-7.88,-2.47,;-6.55,-3.24,;-5.21,-2.47,;-1.21,-.16,;.12,-.93,;1.59,-.46,;2.83,.45,;2.36,1.91,;3.13,3.24,;.82,1.91,;.05,3.24,;.34,.45,;3.26,-3.04,;4.8,-3.04,)|
CCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(ON(C)C(N)=N3)c2c1 |r,wD:8.7,11.14,c:22,(-7.21,-.16,;-5.88,-.93,;-4.55,-.16,;-3.21,-.93,;-3.21,-2.47,;-1.88,-3.24,;-.55,-2.47,;.92,-2.95,;1.82,-1.7,;2.59,-.37,;4.13,-.37,;4.9,-1.7,;4.13,-3.04,;2.59,-3.04,;6.44,-1.7,;7.21,-3.04,;.92,-.46,;2.16,.45,;1.69,1.91,;2.46,3.24,;.15,1.91,;-.62,3.24,;-.33,.45,;-.55,-.93,;-1.88,-.16,)|
CO[C@H]1CC[C@@]2(Cc3ccc(CC(C)C)cc3C22ON(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:24,(7.21,-3.04,;6.44,-1.7,;4.9,-1.7,;4.13,-.37,;2.59,-.37,;1.82,-1.7,;.92,-2.95,;-.55,-2.47,;-1.88,-3.24,;-3.21,-2.47,;-3.21,-.93,;-4.55,-.16,;-5.88,-.93,;-7.21,-.16,;-5.88,-2.47,;-1.88,-.16,;-.55,-.93,;.92,-.46,;2.16,.45,;1.69,1.91,;2.46,3.24,;.15,1.91,;-.62,3.24,;-.33,.45,;2.59,-3.04,;4.13,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(CC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 |r,wD:5.5,2.1,t:20,(7.21,-3.66,;6.44,-2.33,;4.9,-2.33,;4.13,-.99,;2.59,-.99,;1.82,-2.33,;.92,-3.57,;-.55,-3.1,;-1.88,-3.87,;-3.21,-3.1,;-3.21,-1.56,;-4.55,-.79,;-5.88,-1.56,;-5.88,-3.1,;-7.21,-.79,;-1.88,-.79,;-.55,-1.56,;.92,-1.08,;-.33,-.18,;.15,1.29,;-.62,2.62,;1.69,1.29,;2.78,2.38,;4.27,1.98,;2.38,3.87,;2.16,-.18,;3.7,-.18,;2.59,-3.66,;4.13,-3.66,)|
CO[C@H]1CC[C@@]2(Cc3ccc(CCc4ccccc4)cc3C22ON(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:29,(8.73,-1.7,;7.39,-2.47,;6.06,-1.7,;5.29,-.37,;3.75,-.37,;2.98,-1.7,;2.07,-2.95,;.61,-2.47,;-.72,-3.24,;-2.06,-2.47,;-2.06,-.93,;-3.39,-.16,;-4.73,-.93,;-6.06,-.16,;-6.06,1.38,;-7.39,2.15,;-8.73,1.38,;-8.73,-.16,;-7.39,-.93,;-.72,-.16,;.61,-.93,;2.07,-.46,;3.32,.45,;2.84,1.91,;3.61,3.24,;1.3,1.91,;.53,3.24,;.83,.45,;3.75,-3.04,;5.29,-3.04,)|
CCCCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(ON(C)C(N)=N3)c2c1 |r,wD:10.9,13.16,c:24,(-8.73,-.16,;-7.39,-.93,;-6.06,-.16,;-4.73,-.93,;-3.39,-.16,;-2.06,-.93,;-2.06,-2.47,;-.72,-3.24,;.61,-2.47,;2.07,-2.95,;2.98,-1.7,;3.75,-.37,;5.29,-.37,;6.06,-1.7,;5.29,-3.04,;3.75,-3.04,;7.39,-2.47,;8.73,-1.7,;2.07,-.46,;3.32,.45,;2.84,1.91,;3.61,3.24,;1.3,1.91,;.53,3.24,;.83,.45,;.61,-.93,;-.72,-.16,)|
CCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 |r,wD:8.7,11.14,t:18,(-7.21,-.79,;-5.88,-1.56,;-4.55,-.79,;-3.21,-1.56,;-3.21,-3.1,;-1.88,-3.87,;-.55,-3.1,;.92,-3.57,;1.82,-2.33,;2.59,-.99,;4.13,-.99,;4.9,-2.33,;4.13,-3.66,;2.59,-3.66,;6.44,-2.33,;7.21,-3.66,;.92,-1.08,;-.33,-.18,;.15,1.29,;-.62,2.62,;1.69,1.29,;2.78,2.38,;4.27,1.98,;2.38,3.87,;2.16,-.18,;3.7,-.18,;-.55,-1.56,;-1.88,-.79,)|
CO[C@H]1CC[C@@]2(Cc3ccc(CCc4ccccc4)cc3C22N=C(N)N(C(C)C)C2=O)CC1 |r,wD:5.5,2.1,t:25,(8.55,-3.66,;7.78,-2.33,;6.24,-2.33,;5.47,-.99,;3.93,-.99,;3.16,-2.33,;2.25,-3.57,;.79,-3.1,;-.55,-3.87,;-1.88,-3.1,;-1.88,-1.56,;-3.21,-.79,;-4.55,-1.56,;-5.88,-.79,;-5.88,.75,;-7.21,1.52,;-8.55,.75,;-8.55,-.79,;-7.21,-1.56,;-.55,-.79,;.79,-1.56,;2.25,-1.08,;1.01,-.18,;1.48,1.29,;.71,2.62,;3.02,1.29,;4.11,2.38,;5.6,1.98,;3.71,3.87,;3.5,-.18,;5.04,-.18,;3.93,-3.66,;5.47,-3.66,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)C(C)C)CC1 |r,wD:5.5,2.1,c:20,(6.73,-1.7,;5.39,-2.47,;4.06,-1.7,;3.29,-.37,;1.75,-.37,;.98,-1.7,;.07,-2.95,;-1.39,-2.47,;-2.72,-3.24,;-4.06,-2.47,;-4.06,-.93,;-2.72,-.16,;-1.39,-.93,;.07,-.46,;1.32,.45,;.84,1.91,;1.61,3.24,;-.7,1.91,;-1.47,3.24,;-1.17,.45,;-5.39,-.16,;-6.73,-.93,;-5.39,1.38,;1.75,-3.04,;3.29,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 |r,wD:5.5,2.1,t:21,(7.88,-3.66,;7.11,-2.33,;5.57,-2.33,;4.8,-.99,;3.26,-.99,;2.49,-2.33,;1.59,-3.57,;.12,-3.1,;-1.21,-3.87,;-2.55,-3.1,;-2.55,-1.56,;-3.88,-.79,;-5.21,-1.56,;-6.55,-.79,;-7.88,-1.56,;-6.55,.75,;-1.21,-.79,;.12,-1.56,;1.59,-1.08,;.34,-.18,;.82,1.29,;.05,2.62,;2.36,1.29,;3.44,2.38,;4.93,1.98,;3.05,3.87,;2.83,-.18,;4.37,-.18,;3.26,-3.66,;4.8,-3.66,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)C(C)C)CC1 |r,wD:5.5,2.1,t:16,(6.55,-3.66,;5.78,-2.33,;4.24,-2.33,;3.47,-.99,;1.93,-.99,;1.16,-2.33,;.25,-3.57,;-1.21,-3.1,;-2.55,-3.87,;-3.88,-3.1,;-3.88,-1.56,;-2.55,-.79,;-1.21,-1.56,;.25,-1.08,;-.99,-.18,;-.52,1.29,;-1.29,2.62,;1.02,1.29,;2.11,2.38,;3.6,1.98,;1.71,3.87,;1.5,-.18,;3.04,-.18,;-5.21,-.79,;-6.55,-1.56,;-5.21,.75,;1.93,-3.66,;3.47,-3.66,)|
CCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 |r,wD:7.6,10.13,t:17,(-6.55,-1.56,;-5.21,-.79,;-3.88,-1.56,;-3.88,-3.1,;-2.55,-3.87,;-1.21,-3.1,;.25,-3.57,;1.16,-2.33,;1.93,-.99,;3.47,-.99,;4.24,-2.33,;3.47,-3.66,;1.93,-3.66,;5.78,-2.33,;6.55,-3.66,;.25,-1.08,;-.99,-.18,;-.52,1.29,;-1.29,2.62,;1.02,1.29,;2.11,2.38,;3.6,1.98,;1.71,3.87,;1.5,-.18,;3.04,-.18,;-1.21,-1.56,;-2.55,-.79,)|
CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22ON(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:25,(8.06,-1.7,;6.73,-2.47,;5.39,-1.7,;4.62,-.37,;3.08,-.37,;2.31,-1.7,;1.41,-2.95,;-.06,-2.47,;-1.39,-3.24,;-2.72,-2.47,;-2.72,-.93,;-4.06,-.16,;-5.39,-.93,;-6.73,-.16,;-8.06,-.93,;-6.73,1.38,;-1.39,-.16,;-.06,-.93,;1.41,-.46,;2.65,.45,;2.18,1.91,;2.95,3.24,;.64,1.91,;-.13,3.24,;.16,.45,;3.08,-3.04,;4.62,-3.04,)|
CCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(ON(C)C(N)=N3)c2c1 |r,wD:7.6,10.13,c:21,(-6.73,-.93,;-5.39,-.16,;-4.06,-.93,;-4.06,-2.47,;-2.72,-3.24,;-1.39,-2.47,;.07,-2.95,;.98,-1.7,;1.75,-.37,;3.29,-.37,;4.06,-1.7,;3.29,-3.04,;1.75,-3.04,;5.39,-2.47,;6.73,-1.7,;.07,-.46,;1.32,.45,;.84,1.91,;1.61,3.24,;-.7,1.91,;-1.47,3.24,;-1.17,.45,;-1.39,-.93,;-2.72,-.16,)|
CCCCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 |r,wD:10.9,13.16,t:20,(-8.55,-.79,;-7.21,-1.56,;-5.88,-.79,;-4.55,-1.56,;-3.21,-.79,;-1.88,-1.56,;-1.88,-3.1,;-.55,-3.87,;.79,-3.1,;2.25,-3.57,;3.16,-2.33,;3.93,-.99,;5.47,-.99,;6.24,-2.33,;5.47,-3.66,;3.93,-3.66,;7.78,-2.33,;8.55,-3.66,;2.25,-1.08,;1.01,-.18,;1.48,1.29,;.71,2.62,;3.02,1.29,;4.11,2.38,;5.6,1.98,;3.71,3.87,;3.5,-.18,;5.04,-.18,;.79,-1.56,;-.55,-.79,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCc4ccc(OC)cc4)cc3C22ON(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:31,(9.21,-3.26,;8.44,-1.93,;6.9,-1.93,;6.13,-.59,;4.59,-.59,;3.82,-1.93,;2.92,-3.17,;1.45,-2.7,;.12,-3.47,;-1.21,-2.7,;-1.21,-1.16,;-2.55,-.39,;-3.88,-1.16,;-5.21,-.39,;-5.21,1.15,;-6.55,1.92,;-7.88,1.15,;-9.21,1.93,;-9.21,3.47,;-7.88,-.39,;-6.55,-1.15,;.12,-.39,;1.45,-1.16,;2.92,-.68,;4.17,.23,;3.69,1.69,;4.46,3.02,;2.15,1.69,;1.38,3.02,;1.67,.23,;4.59,-3.26,;6.13,-3.26,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OC(C)C)cc3C22ON(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:24,(7.21,-3.04,;6.44,-1.7,;4.9,-1.7,;4.13,-.37,;2.59,-.37,;1.82,-1.7,;.92,-2.95,;-.55,-2.47,;-1.88,-3.24,;-3.21,-2.47,;-3.21,-.93,;-4.55,-.16,;-5.88,-.93,;-7.21,-.16,;-5.88,-2.47,;-1.88,-.16,;-.55,-.93,;.92,-.46,;2.16,.45,;1.69,1.91,;2.46,3.24,;.15,1.91,;-.62,3.24,;-.33,.45,;2.59,-3.04,;4.13,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3C22N=C(N)N(C(C)C)C2=O)CC1 |r,wD:5.5,2.1,t:23,(8.16,-3.66,;7.39,-2.33,;5.85,-2.33,;5.08,-.99,;3.54,-.99,;2.77,-2.33,;1.86,-3.57,;.4,-3.1,;-.94,-3.87,;-2.27,-3.1,;-2.27,-1.56,;-3.6,-.79,;-4.94,-1.56,;-6.27,-.79,;-6.67,.7,;-8.16,.3,;-7.76,-1.18,;-.94,-.79,;.4,-1.56,;1.86,-1.08,;.62,-.18,;1.09,1.29,;.32,2.62,;2.63,1.29,;3.72,2.38,;5.21,1.98,;3.32,3.87,;3.11,-.18,;4.65,-.18,;3.54,-3.66,;5.08,-3.66,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)C2CCCC2)CC1 |r,wD:5.5,2.1,t:16,(7.13,-3.66,;6.36,-2.33,;4.82,-2.33,;4.05,-.99,;2.51,-.99,;1.74,-2.33,;.83,-3.57,;-.63,-3.1,;-1.97,-3.87,;-3.3,-3.1,;-3.3,-1.56,;-1.97,-.79,;-.63,-1.56,;.83,-1.08,;-.41,-.18,;.06,1.29,;-.71,2.62,;1.6,1.29,;2.69,2.38,;4.18,1.98,;2.29,3.87,;2.08,-.18,;3.62,-.18,;-4.63,-.79,;-5.11,.68,;-6.65,.68,;-7.13,-.79,;-5.88,-1.69,;2.51,-3.66,;4.05,-3.66,)|
CCCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(C(C)C)C3=O)c2c1 |r,wD:9.8,12.15,t:19,(-7.21,-3.87,;-5.88,-3.1,;-5.88,-1.56,;-4.55,-.79,;-3.21,-1.56,;-3.21,-3.1,;-1.88,-3.87,;-.55,-3.1,;.92,-3.57,;1.82,-2.33,;2.59,-.99,;4.13,-.99,;4.9,-2.33,;4.13,-3.66,;2.59,-3.66,;6.44,-2.33,;7.21,-3.66,;.92,-1.08,;-.33,-.18,;.15,1.29,;-.62,2.62,;1.69,1.29,;2.78,2.38,;4.27,1.98,;2.38,3.87,;2.16,-.18,;3.7,-.18,;-.55,-1.56,;-1.88,-.79,)|
CO[C@H]1CC[C@@]2(Cc3ccc(CC(C)(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 |r,wD:5.5,2.1,t:21,(7.21,-3.66,;6.44,-2.33,;4.9,-2.33,;4.13,-.99,;2.59,-.99,;1.82,-2.33,;.92,-3.57,;-.55,-3.1,;-1.88,-3.87,;-3.21,-3.1,;-3.21,-1.56,;-4.55,-.79,;-5.88,-1.56,;-7.21,-.79,;-5.88,-3.1,;-7.21,-2.33,;-1.88,-.79,;-.55,-1.56,;.92,-1.08,;-.33,-.18,;.15,1.29,;-.62,2.62,;1.69,1.29,;2.78,2.38,;4.27,1.98,;2.38,3.87,;2.16,-.18,;3.7,-.18,;2.59,-3.66,;4.13,-3.66,)|
COc1cccc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(C)C)C3(N=C(N)N(C)C3=O)c2c1 |r,wD:13.13,16.20,t:26,(-9.32,.4,;-7.98,-.37,;-6.65,.4,;-6.65,1.94,;-5.32,2.71,;-3.98,1.94,;-3.98,.4,;-5.32,-.37,;-2.65,-.37,;-2.65,-1.91,;-1.32,-2.68,;.02,-1.91,;1.48,-2.39,;2.39,-1.14,;3.16,.19,;4.7,.19,;5.47,-1.14,;4.7,-2.47,;3.16,-2.47,;7.01,-1.14,;7.78,-2.47,;9.32,-2.47,;7.01,-3.81,;1.48,.1,;.24,1.01,;.71,2.47,;-.06,3.81,;2.25,2.47,;3.02,3.81,;2.73,1.01,;4.27,1.01,;.02,-.37,;-1.32,.4,)|
CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(CC(F)F)C2=O)CC1 |r,wD:5.5,2.1,t:21,(7.88,-3.98,;7.11,-2.65,;5.57,-2.65,;4.8,-1.31,;3.26,-1.31,;2.49,-2.65,;1.59,-3.89,;.12,-3.42,;-1.21,-4.19,;-2.55,-3.42,;-2.55,-1.88,;-3.88,-1.11,;-5.21,-1.88,;-6.55,-1.11,;-7.88,-1.88,;-6.55,.43,;-1.21,-1.11,;.12,-1.88,;1.59,-1.4,;.34,-.5,;.82,.97,;.05,2.3,;2.36,.97,;3.13,2.3,;4.61,2.7,;5.01,4.19,;5.7,1.61,;2.83,-.5,;4.37,-.5,;3.26,-3.98,;4.8,-3.98,)|
CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(CC(F)(F)F)C2=O)CC1 |r,wD:5.5,2.1,t:21,(7.88,-4.19,;7.11,-2.86,;5.57,-2.86,;4.8,-1.53,;3.26,-1.53,;2.49,-2.86,;1.59,-4.11,;.12,-3.63,;-1.21,-4.4,;-2.55,-3.63,;-2.55,-2.09,;-3.88,-1.32,;-5.21,-2.09,;-6.55,-1.32,;-7.88,-2.09,;-6.55,.22,;-1.21,-1.32,;.12,-2.09,;1.59,-1.61,;.34,-.71,;.82,.76,;.05,2.09,;2.36,.76,;3.13,2.09,;4.46,2.86,;4.46,4.4,;5.79,2.09,;4.46,1.32,;2.83,-.71,;4.37,-.71,;3.26,-4.19,;4.8,-4.19,)|
COCCN1C(N)=NC2(C1=O)c1cc(CCC(C)C)ccc1C[C@@]21CC[C@@H](CC1)OC |r,wD:23.24,26.32,c:6,(7.51,3.07,;6.02,3.47,;4.93,2.38,;3.44,2.78,;2.36,1.69,;.82,1.69,;.05,3.02,;.34,.22,;1.59,-.68,;2.83,.22,;4.37,.22,;.12,-1.16,;-1.21,-.39,;-2.55,-1.16,;-3.88,-.39,;-5.21,-1.16,;-6.55,-.39,;-7.88,-1.16,;-6.55,1.15,;-2.55,-2.7,;-1.21,-3.47,;.12,-2.7,;1.59,-3.17,;2.49,-1.93,;3.26,-.59,;4.8,-.59,;5.57,-1.93,;4.8,-3.26,;3.26,-3.26,;7.11,-1.93,;7.88,-3.26,)|
CCN1C(N)=NC2(C1=O)c1cc(CCC(C)C)ccc1C[C@@]21CC[C@@H](CC1)OC |r,wD:21.22,24.30,c:4,(4.93,2.6,;3.44,3,;2.36,1.91,;.82,1.91,;.05,3.24,;.34,.45,;1.59,-.46,;2.83,.45,;4.37,.45,;.12,-.93,;-1.21,-.16,;-2.55,-.93,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-6.55,1.38,;-2.55,-2.47,;-1.21,-3.24,;.12,-2.47,;1.59,-2.95,;2.49,-1.7,;3.26,-.37,;4.8,-.37,;5.57,-1.7,;4.8,-3.04,;3.26,-3.04,;7.11,-1.7,;7.88,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(C)C2=O)CC1 |r,wD:5.5,2.1,t:21,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-2.55,-.93,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-6.55,1.38,;-1.21,-.16,;.12,-.93,;1.59,-.46,;.34,.45,;.82,1.91,;.05,3.24,;2.36,1.91,;3.13,3.24,;2.83,.45,;4.37,.45,;3.26,-3.04,;4.8,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCc4ccccc4)cc3C22ON(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:29,(8.28,-3.88,;7.88,-2.39,;6.4,-1.99,;6,-.5,;4.51,-.11,;3.42,-1.19,;2.52,-2.44,;1.05,-1.96,;-.28,-2.73,;-1.62,-1.96,;-1.62,-.42,;-2.95,.35,;-4.28,-.42,;-5.62,.35,;-5.62,1.89,;-6.95,2.66,;-8.28,1.89,;-8.28,.35,;-6.95,-.42,;-.28,.35,;1.05,-.42,;2.52,.05,;3.98,.53,;3.98,2.07,;5.32,2.84,;2.52,2.54,;1.75,3.88,;1.61,1.3,;3.82,-2.68,;5.31,-3.08,)|
COc1cccc(c1)-c1ccc2C[C@]3(CC[C@@](C)(O)CC3)C3(ON(C)C(N)=N3)c2c1 |r,wU:16.17,wD:13.13,16.18,c:28,(-8.06,-.16,;-6.73,-.93,;-5.39,-.16,;-5.39,1.38,;-4.06,2.15,;-2.72,1.38,;-2.72,-.16,;-4.06,-.93,;-1.39,-.93,;-1.39,-2.47,;-.06,-3.24,;1.28,-2.47,;2.74,-2.95,;3.65,-1.7,;4.42,-3.04,;5.96,-3.04,;6.73,-1.7,;8.06,-.93,;8.06,-2.47,;5.96,-.37,;4.42,-.37,;2.74,-.46,;3.99,.45,;3.51,1.91,;4.28,3.24,;1.97,1.91,;1.2,3.24,;1.49,.45,;1.28,-.93,;-.06,-.16,)|
CO[C@H]1CC[C@@]2(Cc3cc(F)c(OCC(F)(F)F)cc3C22ON(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:27,(7.88,-3.04,;7.11,-1.7,;5.57,-1.7,;4.8,-.37,;3.26,-.37,;2.49,-1.7,;1.59,-2.95,;.12,-2.47,;-1.21,-3.24,;-2.55,-2.47,;-3.88,-3.24,;-2.55,-.93,;-3.88,-.16,;-5.21,-.93,;-6.55,-.16,;-7.88,-.93,;-6.55,1.38,;-5.21,.61,;-1.21,-.16,;.12,-.93,;1.59,-.46,;2.83,.45,;2.36,1.91,;3.13,3.24,;.82,1.91,;.05,3.24,;.34,.45,;3.26,-3.04,;4.8,-3.04,)|
COC1CCC2(Cc3ccc(cc3[C@@]22N=C(N)N(C)C2=O)-c2cnc(C)s2)CC1 |r,wU:13.15,t:16,(10.32,-12.88,;8.99,-13.65,;7.65,-12.88,;6.55,-13.96,;5.23,-13.16,;3.69,-13.17,;2.79,-14.41,;1.32,-13.94,;-.01,-14.71,;-1.35,-13.94,;-1.35,-12.4,;-.01,-11.63,;1.32,-12.4,;2.79,-11.92,;1.54,-11.02,;2.02,-9.55,;1.25,-8.22,;3.56,-9.55,;4.33,-8.22,;4.03,-11.02,;5.52,-11.41,;-2.68,-11.63,;-2.68,-10.09,;-4.14,-9.61,;-5.05,-10.86,;-6.38,-11.63,;-4.14,-12.1,;4.79,-12.09,;6.11,-12.9,)|
COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C)C2=O)-c2cnc(C)s2)CC1 |r,wD:13.15,t:16,(10.32,-12.88,;8.99,-13.65,;7.65,-12.88,;6.55,-13.96,;5.23,-13.16,;3.69,-13.17,;2.79,-14.41,;1.32,-13.94,;-.01,-14.71,;-1.35,-13.94,;-1.35,-12.4,;-.01,-11.63,;1.32,-12.4,;2.79,-11.92,;1.54,-11.02,;2.02,-9.55,;1.25,-8.22,;3.56,-9.55,;4.33,-8.22,;4.03,-11.02,;5.52,-11.41,;-2.68,-11.63,;-2.68,-10.09,;-4.14,-9.61,;-5.05,-10.86,;-6.38,-11.63,;-4.14,-12.1,;4.79,-12.09,;6.11,-12.9,)|
CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)C#CC1CC1 |r,wD:15.16,5.4,18.24,c:3,(2.1,4.25,;1.33,2.92,;-.21,2.92,;-.98,4.25,;-.68,1.45,;.56,.55,;1.81,1.45,;3.14,2.22,;-.9,.07,;-2.24,.84,;-3.57,.07,;-3.57,-1.47,;-2.24,-2.24,;-.9,-1.47,;.56,-1.94,;1.47,-.7,;2.24,.63,;3.78,.63,;4.55,-.7,;3.78,-2.03,;2.24,-2.03,;6.05,-.7,;6.82,-2.03,;6.05,-3.37,;8.36,-2.03,;-4.9,.84,;-6.24,1.61,;-7.57,2.38,;-8.34,3.71,;-9.11,2.38,)|
CN1C(N)=N[C@]2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)C#CC1CC1 |r,wU:5.4,wD:15.16,18.24,c:3,(2.1,4.25,;1.33,2.92,;-.21,2.92,;-.98,4.25,;-.68,1.45,;.56,.55,;1.81,1.45,;3.14,2.22,;-.9,.07,;-2.24,.84,;-3.57,.07,;-3.57,-1.47,;-2.24,-2.24,;-.9,-1.47,;.56,-1.94,;1.47,-.7,;2.24,.63,;3.78,.63,;4.55,-.7,;3.78,-2.03,;2.24,-2.03,;6.05,-.7,;6.82,-2.03,;6.05,-3.37,;8.36,-2.03,;-4.9,.84,;-6.24,1.61,;-7.57,2.38,;-8.34,3.71,;-9.11,2.38,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(O)=O)C2=O)C#CC2CC2)CC1 |r,wD:5.5,2.1,t:16,(7.98,-3.71,;7.21,-2.37,;5.67,-2.37,;4.9,-1.04,;3.36,-1.04,;2.59,-2.37,;1.69,-3.62,;.22,-3.14,;-1.11,-3.91,;-2.44,-3.14,;-2.44,-1.6,;-1.11,-.83,;.22,-1.6,;1.69,-1.13,;.44,-.22,;.92,1.24,;.15,2.58,;2.46,1.24,;3.23,2.58,;4.77,2.58,;5.54,3.91,;5.54,1.24,;2.93,-.22,;4.47,-.22,;-3.78,-.83,;-5.11,-.06,;-6.44,.71,;-7.21,2.04,;-7.98,.71,;3.36,-3.71,;4.9,-3.71,)|
COC1CCC2(Cc3ccc(OCC4CC4)cc3C22N=C(N)N(CCF)C2=O)CC1 |t:22,(5.32,-8.48,;3.84,-8.88,;2.75,-7.79,;1.26,-8.19,;.48,-6.86,;-.86,-6.12,;-1.77,-7.36,;-3.23,-6.89,;-4.57,-7.66,;-5.9,-6.89,;-5.9,-5.35,;-7.23,-4.58,;-8.57,-5.35,;-9.9,-4.58,;-10.67,-3.24,;-11.44,-4.58,;-4.57,-4.58,;-3.23,-5.35,;-1.77,-4.87,;-2.67,-3.62,;-1.77,-2.38,;-2.54,-1.04,;-.3,-2.85,;.78,-1.76,;2.27,-2.16,;3.36,-1.07,;-.3,-4.39,;1.03,-5.16,;.62,-5.72,;1.39,-7.1,)|
COC1CCC2(Cc3ccc(OCC4CC4)cc3C22N=C(N)N(CC(F)F)C2=O)CC1 |t:22,(5.49,-7.44,;4.16,-8.21,;2.82,-7.44,;1.49,-8.21,;.39,-7.12,;-1.1,-6.75,;-1.58,-8.22,;-3.12,-8.22,;-4.15,-9.36,;-5.65,-9.04,;-6.13,-7.57,;-7.46,-6.8,;-8.8,-7.57,;-10.13,-6.8,;-10.9,-5.47,;-11.67,-6.8,;-5.1,-6.43,;-3.59,-6.75,;-2.35,-5.85,;-3.59,-4.94,;-3.12,-3.48,;-3.89,-2.14,;-1.58,-3.48,;-.49,-2.39,;1,-2.79,;2.09,-1.7,;1.4,-4.27,;-1.1,-4.94,;.44,-4.94,;.23,-5.98,;1.33,-7.12,)|
COC1CCC2(Cc3ccc(CCC(F)(F)F)cc3C22N=C(N)N(CCF)C2=O)CC1 |t:22,(-14.71,21.73,;-16.05,20.96,;-17.38,21.73,;-18.48,20.65,;-19.8,21.46,;-21.34,21.45,;-22.25,20.2,;-23.71,20.68,;-25.05,19.91,;-26.38,20.68,;-26.38,22.22,;-27.71,22.99,;-29.05,22.22,;-30.38,22.99,;-31.71,22.22,;-30.38,24.53,;-30.38,21.45,;-25.05,22.99,;-23.71,22.22,;-22.25,22.69,;-23.49,23.6,;-23.02,25.06,;-23.79,26.39,;-21.48,25.06,;-20.39,26.15,;-18.9,25.75,;-17.81,26.84,;-21,23.6,;-19.51,23.2,;-20.24,22.52,;-18.92,21.72,)|
COC1CCC2(Cc3ccc(OCC4CC4)cc3C22N=C(N)N(CCC(F)(F)F)C2=O)CC1 |t:22,(5.49,-7.44,;4.16,-8.21,;2.82,-7.44,;1.49,-8.21,;.39,-7.12,;-1.1,-6.75,;-1.58,-8.22,;-3.12,-8.22,;-4.15,-9.36,;-5.65,-9.04,;-6.13,-7.57,;-7.46,-6.8,;-8.8,-7.57,;-10.13,-6.8,;-10.9,-5.47,;-11.67,-6.8,;-5.1,-6.43,;-3.59,-6.75,;-2.35,-5.85,;-3.59,-4.94,;-3.12,-3.48,;-3.89,-2.14,;-1.58,-3.48,;-.49,-2.39,;1,-2.79,;2.09,-1.7,;1.69,-.21,;3.58,-2.09,;2.49,-3.18,;-1.1,-4.94,;.44,-4.94,;.23,-5.98,;1.33,-7.12,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CCF)C2=O)-c2ncco2)CC1 |r,wD:5.5,2.1,t:16,(6.8,-4.04,;6.4,-2.55,;4.91,-2.15,;4.52,-.67,;3.03,-.27,;1.94,-1.36,;1.03,-2.6,;-.43,-2.13,;-1.76,-2.9,;-3.1,-2.13,;-3.1,-.59,;-1.76,.18,;-.43,-.59,;1.03,-.11,;-.21,.8,;.26,2.26,;-.51,3.59,;1.8,2.26,;2.89,3.35,;4.38,2.95,;5.47,4.04,;2.28,.8,;3.82,.8,;-4.43,.18,;-5.9,-.29,;-6.8,.95,;-5.9,2.2,;-4.43,1.72,;2.34,-2.84,;3.83,-3.24,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CCF)C2=O)-c2nccs2)CC1 |r,wD:5.5,2.1,t:16,(6.8,-4.04,;6.4,-2.55,;4.91,-2.15,;4.52,-.67,;3.03,-.27,;1.94,-1.36,;1.03,-2.6,;-.43,-2.13,;-1.76,-2.9,;-3.1,-2.13,;-3.1,-.59,;-1.76,.18,;-.43,-.59,;1.03,-.11,;-.21,.8,;.26,2.26,;-.51,3.59,;1.8,2.26,;2.89,3.35,;4.38,2.95,;5.47,4.04,;2.28,.8,;3.82,.8,;-4.43,.18,;-5.9,-.29,;-6.8,.95,;-5.9,2.2,;-4.43,1.72,;2.34,-2.84,;3.83,-3.24,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Cl)cc3C22N=C(N)N(C(C)C)C2=O)CC1 |r,wD:5.5,2.1,t:17,(5.88,-1.04,;5.11,-2.37,;3.57,-2.37,;2.8,-1.04,;1.26,-1.04,;.49,-2.37,;-.41,-3.62,;-1.88,-3.14,;-3.21,-3.91,;-4.55,-3.14,;-4.55,-1.6,;-5.88,-.83,;-3.21,-.83,;-1.88,-1.6,;-.41,-1.13,;-1.66,-.22,;-1.18,1.24,;-1.95,2.58,;.36,1.24,;1.13,2.58,;.36,3.91,;2.67,2.58,;.83,-.22,;2.37,-.22,;1.26,-3.71,;2.8,-3.71,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(F)(F)F)C2=O)-c2ncc(C)s2)CC1 |r,wD:5.5,2.1,t:16,(7.79,-3.81,;7.02,-2.47,;5.48,-2.47,;4.71,-1.14,;3.17,-1.14,;2.4,-2.47,;1.5,-3.72,;.03,-3.24,;-1.3,-4.01,;-2.63,-3.24,;-2.63,-1.7,;-1.3,-.93,;.03,-1.7,;1.5,-1.23,;.25,-.32,;.73,1.14,;-.04,2.47,;2.27,1.14,;3.04,2.47,;4.58,2.47,;6.12,2.47,;4.58,4.01,;4.58,.93,;2.74,-.32,;4.28,-.32,;-3.97,-.93,;-4.44,.53,;-5.98,.53,;-6.46,-.93,;-7.79,-1.7,;-5.21,-1.84,;3.17,-3.81,;4.71,-3.81,)|
CCCSc1ccc2CC3(CCC(CC3)OC)C3(N=C(N)N(CCOC)C3=O)c2c1 |t:19,(-11.38,10.61,;-11.38,9.07,;-10.04,8.3,;-10.04,6.76,;-8.71,5.99,;-8.71,4.45,;-7.37,3.68,;-6.04,4.45,;-4.58,3.97,;-3.67,5.22,;-2.33,4.47,;-1.55,3.14,;-.06,3.54,;-1.41,4.28,;-2.18,5.61,;1.03,2.45,;2.36,3.22,;-4.58,6.46,;-5.48,7.71,;-4.58,8.95,;-5.35,10.29,;-3.11,8.48,;-2.02,9.57,;-.54,9.17,;.55,10.26,;2.04,9.86,;-3.11,6.94,;-1.78,6.17,;-6.04,5.99,;-7.37,6.76,)|
COCCN1C(N)=NC2(C1=O)c1cc(OC(F)F)ccc1C[C@@]21CC[C@@H](CC1)OC |r,wD:22.23,25.31,c:6,(6.84,3.07,;5.35,3.47,;4.27,2.38,;2.78,2.78,;1.69,1.69,;.15,1.69,;-.62,3.02,;-.33,.22,;.92,-.68,;2.16,.22,;3.7,.22,;-.55,-1.16,;-1.88,-.39,;-3.21,-1.16,;-4.55,-.39,;-5.88,-1.16,;-7.21,-.39,;-5.88,-2.7,;-3.21,-2.7,;-1.88,-3.47,;-.55,-2.7,;.92,-3.17,;1.82,-1.93,;2.59,-.59,;4.13,-.59,;4.9,-1.93,;4.13,-3.26,;2.59,-3.26,;6.44,-1.93,;7.21,-3.26,)|
COC1CCC2(Cc3ccc(Sc4ccccc4)cc3C22N=C(N)N(C)C2=O)CC1 |t:24|
COCCN1C(N)=NC2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)C1CC1 |r,wD:18.19,21.27,c:6,(6.9,1.5,;5.57,2.27,;4.24,1.5,;2.9,2.27,;1.57,1.5,;.1,1.97,;-.67,3.31,;-.8,.73,;.1,-.52,;1.57,-.04,;2.9,.73,;-1.36,-1,;-2.7,-.23,;-4.03,-1,;-4.03,-2.54,;-2.7,-3.31,;-1.36,-2.54,;.1,-3.01,;1.01,-1.77,;1.78,-.43,;3.32,-.43,;4.09,-1.77,;3.32,-3.1,;1.78,-3.1,;5.63,-1.77,;6.4,-3.1,;-5.36,-.23,;-6.13,1.11,;-6.9,-.23,)|
COCCN1C(N)=NC2(C1=O)c1cc(Cl)ccc1C[C@@]21CC[C@@H](CC1)OC |r,wD:19.20,22.28,c:6,(5.51,3.07,;4.02,3.47,;2.93,2.38,;1.44,2.78,;.36,1.69,;-1.18,1.69,;-1.95,3.02,;-1.66,.22,;-.41,-.68,;.83,.22,;2.37,.22,;-1.88,-1.16,;-3.21,-.39,;-4.55,-1.16,;-5.88,-.39,;-4.55,-2.7,;-3.21,-3.47,;-1.88,-2.7,;-.41,-3.17,;.49,-1.93,;1.26,-.59,;2.8,-.59,;3.57,-1.93,;2.8,-3.26,;1.26,-3.26,;5.11,-1.93,;5.88,-.59,)|
COCCO[C@H]1CC[C@@]2(Cc3ccc(Cl)cc3C22N=C(N)N(C)C2=O)CC1 |r,wD:8.8,5.4,t:20,(7.81,.96,;6.27,.96,;5.5,-.37,;3.96,-.37,;3.19,-1.7,;1.65,-1.7,;.88,-.37,;-.66,-.37,;-1.43,-1.7,;-2.34,-2.95,;-3.8,-2.47,;-5.14,-3.24,;-6.47,-2.47,;-6.47,-.93,;-7.81,-.16,;-5.14,-.16,;-3.8,-.93,;-2.34,-.46,;-3.59,.45,;-3.11,1.91,;-3.88,3.24,;-1.57,1.91,;-.8,3.24,;-1.09,.45,;.45,.45,;-.66,-3.04,;.88,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22CC(C)(C)SC(N)=N2)CC1 |r,wD:5.5,2.1,c:23,(5.88,-2.73,;5.11,-1.39,;3.57,-1.39,;2.8,-.06,;1.26,-.06,;.49,-1.39,;-.41,-2.64,;-1.88,-2.16,;-3.21,-2.93,;-4.55,-2.16,;-4.55,-.62,;-5.88,.15,;-3.21,.15,;-1.88,-.62,;-.41,-.15,;.92,.62,;.92,2.16,;2.25,2.93,;2.25,1.39,;-.41,2.93,;-1.75,2.16,;-3.08,2.93,;-1.75,.62,;1.26,-2.73,;2.8,-2.73,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Cl)cc3C22N=C(N)N(CC(F)F)C2=O)CC1 |r,wD:5.5,2.1,t:17,(5.88,-3.71,;5.11,-2.37,;3.57,-2.37,;2.8,-1.04,;1.26,-1.04,;.49,-2.37,;-.41,-3.62,;-1.88,-3.14,;-3.21,-3.91,;-4.55,-3.14,;-4.55,-1.6,;-5.88,-.83,;-3.21,-.83,;-1.88,-1.6,;-.41,-1.13,;-1.66,-.22,;-1.18,1.24,;-1.95,2.58,;.36,1.24,;1.13,2.58,;2.67,2.58,;3.44,3.91,;3.44,1.24,;.83,-.22,;2.37,-.22,;1.26,-3.71,;2.8,-3.71,)|
CCCSc1ccc2CC3(CCC(CC3)OC)C3(N=C(N)N(C)C3=O)c2c1 |t:19,(-14.45,4.83,;-13.12,5.6,;-11.79,4.83,;-10.45,5.6,;-9.12,4.83,;-9.12,3.29,;-7.79,2.52,;-6.45,3.29,;-4.99,2.82,;-4.08,4.06,;-2.59,3.69,;-1.49,2.6,;-.16,3.37,;-1.65,3.69,;-2.75,4.83,;.93,2.28,;2.42,2.68,;-4.99,5.31,;-5.89,6.55,;-4.99,7.8,;-5.76,9.13,;-3.52,7.32,;-2.19,8.09,;-3.52,5.78,;-2.19,5.01,;-6.45,4.83,;-7.79,5.6,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(N)=O)C2=O)C#CC2CC2)CC1 |r,wD:5.5,2.1,t:16,(7.98,-3.26,;7.21,-1.93,;5.67,-1.93,;4.9,-.59,;3.36,-.59,;2.59,-1.93,;1.69,-3.17,;.22,-2.7,;-1.11,-3.47,;-2.44,-2.7,;-2.44,-1.16,;-1.11,-.39,;.22,-1.16,;1.69,-.68,;.44,.22,;.92,1.69,;.15,3.02,;2.46,1.69,;3.55,2.78,;5.04,2.38,;6.12,3.47,;5.43,.89,;2.93,.22,;4.47,.22,;-3.78,-.39,;-5.11,.38,;-6.44,1.15,;-7.21,2.49,;-7.98,1.15,;3.36,-3.26,;4.9,-3.26,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(=O)OC(C)C)C2=O)C#CC2CC2)CC1 |r,wD:5.5,2.1,t:16,(7.63,-3.61,;6.86,-2.27,;5.32,-2.27,;4.55,-.94,;3.01,-.94,;2.24,-2.27,;1.33,-3.52,;-.13,-3.04,;-1.47,-3.81,;-2.8,-3.04,;-2.8,-1.5,;-1.47,-.73,;-.13,-1.5,;1.33,-1.03,;.08,-.12,;.56,1.34,;-.21,2.68,;2.1,1.34,;3.19,2.43,;4.68,2.03,;5.08,.55,;5.77,3.12,;7.25,2.72,;8.34,3.81,;7.65,1.24,;2.58,-.12,;4.12,-.12,;-4.14,-.73,;-5.47,.04,;-6.8,.81,;-7.57,2.14,;-8.34,.81,;3.01,-3.61,;4.55,-3.61,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CCC(=O)OC(C)C)C2=O)C#CC2CC2)CC1 |r,wD:5.5,2.1,t:16,(6.88,-4.35,;6.11,-3.02,;4.57,-3.02,;3.8,-1.68,;2.26,-1.68,;1.49,-3.02,;.59,-4.26,;-.88,-3.79,;-2.21,-4.56,;-3.55,-3.79,;-3.55,-2.25,;-2.21,-1.48,;-.88,-2.25,;.59,-1.77,;-.66,-.87,;-.18,.6,;-.95,1.93,;1.36,.6,;2.45,1.69,;3.93,1.29,;5.02,2.38,;4.62,3.87,;6.51,1.98,;7.6,3.07,;9.09,2.67,;7.2,4.56,;1.83,-.87,;3.37,-.87,;-4.88,-1.48,;-6.21,-.71,;-7.55,.06,;-8.32,1.4,;-9.09,.06,;2.26,-4.35,;3.8,-4.35,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(Cc3nnc(C)s3)C2=O)C#CC2CC2)CC1 |r,wD:5.5,2.1,t:16,(7.74,-3.81,;6.97,-2.47,;5.43,-2.47,;4.66,-1.14,;3.12,-1.14,;2.35,-2.47,;1.44,-3.72,;-.02,-3.24,;-1.35,-4.01,;-2.69,-3.24,;-2.69,-1.7,;-1.35,-.93,;-.02,-1.7,;1.44,-1.23,;.2,-.32,;.67,1.14,;-.1,2.47,;2.21,1.14,;2.98,2.47,;4.52,2.47,;5.43,1.23,;6.89,1.7,;6.89,3.24,;8.23,4.01,;5.43,3.72,;2.69,-.32,;4.23,-.32,;-4.02,-.93,;-5.35,-.16,;-6.69,.61,;-7.46,1.94,;-8.23,.61,;3.12,-3.81,;4.66,-3.81,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Cl)cc3C22ON(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:21,(5.88,-3.04,;5.11,-1.7,;3.57,-1.7,;2.8,-.37,;1.26,-.37,;.49,-1.7,;-.41,-2.95,;-1.88,-2.47,;-3.21,-3.24,;-4.55,-2.47,;-4.55,-.93,;-5.88,-.16,;-3.21,-.16,;-1.88,-.93,;-.41,-.46,;.83,.45,;.36,1.91,;1.13,3.24,;-1.18,1.91,;-1.95,3.24,;-1.66,.45,;1.26,-3.04,;2.8,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#N)CC1 |r,wD:5.5,2.1,c:20,(6.55,-3.04,;5.78,-1.7,;4.24,-1.7,;3.47,-.37,;1.93,-.37,;1.16,-1.7,;.25,-2.95,;-1.21,-2.47,;-2.55,-3.24,;-3.88,-2.47,;-3.88,-.93,;-2.55,-.16,;-1.21,-.93,;.25,-.46,;1.5,.45,;1.02,1.91,;1.79,3.24,;-.52,1.91,;-1.29,3.24,;-.99,.45,;-5.21,-.16,;-6.55,.61,;1.93,-3.04,;3.47,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cnc(C)nc2)CC1 |r,wD:5.5,2.1,t:16,(7.88,-3.71,;7.11,-2.37,;5.57,-2.37,;4.8,-1.04,;3.26,-1.04,;2.49,-2.37,;1.59,-3.62,;.12,-3.14,;-1.21,-3.91,;-2.55,-3.14,;-2.55,-1.6,;-1.21,-.83,;.12,-1.6,;1.59,-1.13,;.34,-.22,;.82,1.24,;.05,2.58,;2.36,1.24,;3.13,2.58,;4.67,2.58,;2.36,3.91,;2.83,-.22,;4.32,-.62,;-3.88,-.83,;-3.88,.71,;-5.21,1.48,;-6.55,.71,;-7.88,1.48,;-6.55,-.83,;-5.21,-1.6,;3.26,-3.71,;4.8,-3.71,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)N2CCCC2=O)CC1 |r,wD:5.5,2.1,t:16,(7.07,-3.04,;6.3,-1.7,;4.76,-1.7,;3.99,-.37,;2.45,-.37,;1.68,-1.7,;.77,-2.95,;-.69,-2.47,;-2.03,-3.24,;-3.36,-2.47,;-3.36,-.93,;-2.03,-.16,;-.69,-.93,;.77,-.46,;-.48,.45,;0,1.91,;-.77,3.24,;1.54,1.91,;2.31,3.24,;2.02,.45,;3.5,.05,;-4.7,-.16,;-4.7,1.38,;-6.16,1.85,;-7.07,.61,;-6.16,-.64,;-6.93,-1.97,;2.45,-3.04,;3.99,-3.04,)|
COCCOc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(CC(F)(F)F)C3=O)c2c1 |r,wD:10.9,13.16,t:20,(-8.55,-.83,;-7.21,-1.6,;-5.88,-.83,;-4.55,-1.6,;-3.21,-.83,;-1.88,-1.6,;-1.88,-3.14,;-.55,-3.91,;.79,-3.14,;2.25,-3.62,;3.16,-2.37,;3.93,-1.04,;5.47,-1.04,;6.24,-2.37,;5.47,-3.71,;3.93,-3.71,;7.78,-2.37,;8.55,-3.71,;2.25,-1.13,;1.01,-.22,;1.48,1.24,;.71,2.58,;3.02,1.24,;3.79,2.58,;5.33,2.58,;6.1,3.91,;6.1,1.24,;6.87,2.58,;3.5,-.22,;4.99,-.62,;.79,-1.6,;-.55,-.83,)|
COC1CCC2(Cc3ccc(NC(=O)c4ccccn4)cc3C22N=C(N)N(C)C2=O)CC1 |t:26,(10.17,-14.3,;8.84,-15.07,;7.5,-14.3,;6.4,-15.37,;5.08,-14.55,;3.54,-14.55,;2.64,-15.79,;1.17,-15.32,;-.16,-16.09,;-1.5,-15.32,;-1.5,-13.78,;-2.83,-13.01,;-4.16,-13.78,;-4.16,-15.32,;-5.5,-13.01,;-6.83,-13.78,;-8.16,-13.01,;-8.16,-11.47,;-6.83,-10.7,;-5.5,-11.47,;-.16,-13.01,;1.17,-13.78,;2.64,-13.3,;1.17,-12.82,;1.17,-11.28,;-.16,-10.51,;2.64,-10.81,;3.41,-9.47,;3.54,-12.05,;5.03,-12.45,;4.65,-13.48,;5.96,-14.29,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC(F)(F)F)cc3C22N=C(N)N(CCF)C2=O)CC1 |r,wD:5.5,2.1,t:22,(7.88,-3.71,;7.11,-2.37,;5.57,-2.37,;4.8,-1.04,;3.26,-1.04,;2.49,-2.37,;1.59,-3.62,;.12,-3.14,;-1.21,-3.91,;-2.55,-3.14,;-2.55,-1.6,;-3.88,-.83,;-5.21,-1.6,;-6.55,-.83,;-7.88,-1.6,;-6.55,.71,;-7.88,-.06,;-1.21,-.83,;.12,-1.6,;1.59,-1.13,;.34,-.22,;.82,1.24,;.05,2.58,;2.36,1.24,;3.13,2.58,;4.67,2.58,;5.44,3.91,;2.83,-.22,;4.37,-.22,;3.26,-3.71,;4.8,-3.71,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC(F)(F)F)cc3C22N=C(N)N(CC(F)(F)F)C2=O)CC1 |r,wD:5.5,2.1,t:22,(7.88,-3.81,;7.11,-2.47,;5.57,-2.47,;4.8,-1.14,;3.26,-1.14,;2.49,-2.47,;1.59,-3.72,;.12,-3.24,;-1.21,-4.01,;-2.55,-3.24,;-2.55,-1.7,;-3.88,-.93,;-5.21,-1.7,;-6.55,-.93,;-7.88,-1.7,;-6.55,.61,;-7.88,-.16,;-1.21,-.93,;.12,-1.7,;1.59,-1.23,;.34,-.32,;.82,1.14,;.05,2.47,;2.36,1.14,;3.13,2.47,;4.67,2.47,;6.21,2.47,;4.67,4.01,;4.67,.93,;2.83,-.32,;4.32,-.72,;3.26,-3.81,;4.8,-3.81,)|
COC1CCC2(Cc3ccc(cc3C22NC(=S)N(C)C2=O)N2CCC(F)(F)C2)CC1 |(4.9,-7.12,;3.56,-7.89,;2.23,-7.12,;.9,-7.89,;-.2,-6.81,;-1.69,-6.43,;-2.17,-7.9,;-3.71,-7.9,;-4.74,-9.04,;-6.25,-8.72,;-6.72,-7.26,;-5.69,-6.11,;-4.19,-6.43,;-2.94,-5.53,;-4.19,-4.62,;-3.71,-3.16,;-4.48,-1.83,;-2.17,-3.16,;-1.4,-1.83,;-1.69,-4.62,;-.15,-4.62,;-8.06,-6.49,;-9.3,-7.39,;-10.55,-6.49,;-10.07,-5.02,;-10.84,-3.69,;-9.3,-3.69,;-8.53,-5.02,;-.36,-5.66,;.74,-6.81,)|
CN1C(N)=NC2(C1=O)c1cc(CCC3CC3)ccc1O[C@@]21CC[C@@H](CC1)OC(F)F |r,wD:20.22,23.30,c:3,(3.72,2.83,;2.38,2.06,;.92,2.54,;.15,3.87,;.01,1.29,;.92,.04,;2.38,.52,;3.72,1.29,;-.55,-.43,;-1.88,.34,;-3.21,-.43,;-4.55,.34,;-5.88,-.43,;-7.21,.34,;-8.75,.34,;-7.21,1.88,;-3.21,-1.97,;-1.88,-2.74,;-.55,-1.97,;.92,-2.45,;1.82,-1.2,;2.59,.13,;4.13,.13,;4.9,-1.2,;4.13,-2.54,;2.59,-2.54,;6.44,-1.2,;7.21,-2.54,;8.75,-2.54,;6.44,-3.87,)|
CN1C(N)=NC2(C1=O)c1cc(ccc1O[C@@]21CC[C@@H](CC1)OC(F)F)-c1cccc(c1)C#N |r,wD:15.16,18.24,c:3,(4.38,2.83,;3.05,2.06,;1.59,2.54,;.82,3.87,;.68,1.29,;1.59,.04,;3.05,.52,;4.38,1.29,;.12,-.43,;-1.21,.34,;-2.55,-.43,;-2.55,-1.97,;-1.21,-2.74,;.12,-1.97,;1.59,-2.45,;2.49,-1.2,;3.26,.13,;4.8,.13,;5.57,-1.2,;4.8,-2.54,;3.26,-2.54,;7.11,-1.2,;7.88,-2.54,;9.42,-2.54,;7.11,-3.87,;-3.88,.34,;-3.88,1.88,;-5.21,2.65,;-6.55,1.88,;-6.55,.34,;-5.21,-.43,;-7.88,-.43,;-9.42,-.43,)|
CN1C(=O)NC2(C1=O)c1cc(ccc1CC21CCC(CC1)OC(F)F)B1OC(C)(C)C(C)(C)O1 |(-1.42,1.01,;-2.19,-.32,;-3.73,-.32,;-4.5,1.01,;-4.21,-1.78,;-2.96,-2.69,;-1.72,-1.78,;-.38,-2.55,;-4.43,-3.17,;-5.76,-2.4,;-7.09,-3.17,;-7.09,-4.71,;-5.76,-5.48,;-4.43,-4.71,;-2.96,-5.18,;-2.06,-3.94,;-.52,-3.94,;.82,-4.7,;1.91,-3.61,;.37,-3.61,;-.97,-2.85,;3.24,-4.38,;4.58,-3.61,;4.58,-2.07,;5.91,-4.38,;-8.43,-2.4,;-9.89,-2.87,;-10.8,-1.63,;-12.13,-.86,;-12.13,-2.4,;-9.89,-.38,;-10.66,.95,;-9.12,.95,;-8.43,-.86,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(Cc3ccnnc3)C2=O)C#CC2CC2)CC1 |r,wD:5.5,2.1,t:16,(7.44,-4.04,;7.04,-2.55,;5.56,-2.15,;5.16,-.67,;3.67,-.27,;2.58,-1.36,;1.68,-2.6,;.21,-2.13,;-1.12,-2.9,;-2.46,-2.13,;-2.46,-.59,;-1.12,.18,;.21,-.59,;1.68,-.11,;.43,.8,;.91,2.26,;.14,3.59,;2.45,2.26,;3.53,3.35,;5.02,2.95,;5.42,1.46,;6.91,1.06,;8,2.15,;7.6,3.64,;6.11,4.04,;2.92,.8,;4.26,.03,;-3.79,.18,;-5.12,.95,;-6.46,1.72,;-7.23,3.06,;-8,1.72,;2.98,-2.84,;4.47,-3.24,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3[C@]22N=C(N)N(CC(F)(F)F)C2=O)CC1 |r,wD:5.5,18.21,2.1,t:22,(8.03,-1.83,;6.54,-2.23,;5.45,-1.14,;3.96,-.76,;2.88,.35,;1.55,-.42,;.64,-1.67,;-.82,-1.19,;-2.16,-1.96,;-3.49,-1.19,;-3.49,.35,;-4.82,1.12,;-6.16,.35,;-7.49,1.12,;-8.26,2.45,;-9.03,1.12,;-2.16,1.12,;-.82,.35,;.64,.82,;-.26,2.07,;.64,3.32,;-.13,4.65,;2.11,2.84,;3.2,3.93,;4.68,3.53,;5.77,4.62,;5.08,2.04,;6.17,3.13,;2.11,1.3,;3.6,.9,;3.04,-.8,;4.12,-1.91,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(N)N(CC(F)(F)F)C2=O)CC1 |r,wD:5.5,2.1,t:21,(7.88,-3.77,;7.11,-2.43,;5.57,-2.43,;4.8,-1.1,;3.26,-1.1,;2.49,-2.43,;1.59,-3.68,;.12,-3.2,;-1.21,-3.97,;-2.55,-3.2,;-2.55,-1.66,;-3.88,-.89,;-5.21,-1.66,;-6.55,-.89,;-7.88,-1.66,;-6.55,.65,;-1.21,-.89,;.12,-1.66,;1.59,-1.19,;.12,-.71,;.12,.83,;-1.21,1.6,;1.59,1.31,;2.36,2.64,;3.9,2.64,;4.67,3.97,;4.67,1.31,;3.13,3.97,;2.49,.06,;4.03,.06,;3.26,-3.77,;4.8,-3.77,)|
CN1C(N)=N[C@]2(C1=O)c1ccccc1C[C@]21CCc2ccccc2CC1 |r,c:3|
CN1C(N)=N[C@@]2(C1=O)c1ccccc1C[C@]21CCc2ccccc2CC1 |r,c:3|
CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)C#N |r,c:3|
CN1C(N)=N[C@]2(C1=O)c1cc(ccc1CC21CCc2ccccc2CC1)C#N |r,c:3|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCC4)cc3C22N=C(N)N(CC(F)(F)F)C2=O)CC1 |r,wD:5.5,2.1,t:23,(8.16,-3.87,;7.39,-2.54,;5.85,-2.54,;5.08,-1.2,;3.54,-1.2,;2.77,-2.54,;1.86,-3.78,;.4,-3.31,;-.94,-4.08,;-2.27,-3.31,;-2.27,-1.77,;-3.6,-1,;-4.94,-1.77,;-6.27,-1,;-6.67,.49,;-8.16,.09,;-7.76,-1.39,;-.94,-1,;.4,-1.77,;1.86,-1.29,;.4,-.81,;.4,.73,;-.94,1.5,;1.86,1.2,;2.63,2.54,;4.17,2.54,;5.71,2.54,;4.17,4.08,;4.17,1,;2.77,-.04,;4.31,-.04,;3.54,-3.87,;5.08,-3.87,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cc(cs2)C#N)CC1 |r,wD:5.5,2.1,t:16,(7.38,-3.77,;6.61,-2.43,;5.07,-2.43,;4.3,-1.1,;2.76,-1.1,;1.99,-2.43,;1.09,-3.68,;-.38,-3.2,;-1.71,-3.97,;-3.04,-3.2,;-3.04,-1.66,;-1.71,-.89,;-.38,-1.66,;1.09,-1.19,;-.38,-.71,;-.38,.83,;-1.71,1.6,;1.09,1.31,;1.86,2.64,;1.09,3.97,;3.4,2.64,;1.99,.06,;3.53,.06,;-4.38,-.89,;-4.38,.65,;-5.84,1.12,;-6.75,-.12,;-5.84,-1.37,;-6.61,2.46,;-7.38,3.79,;2.76,-3.77,;4.3,-3.77,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2ccc(s2)C#N)CC1 |r,wD:5.5,2.1,t:16,(8.61,-3.77,;7.84,-2.43,;6.3,-2.43,;5.53,-1.1,;3.99,-1.1,;3.22,-2.43,;2.31,-3.68,;.85,-3.2,;-.49,-3.97,;-1.82,-3.2,;-1.82,-1.66,;-.49,-.89,;.85,-1.66,;2.31,-1.19,;.85,-.71,;.85,.83,;-.49,1.6,;2.31,1.31,;3.08,2.64,;2.31,3.97,;4.62,2.64,;3.22,.06,;4.76,.06,;-3.16,-.89,;-3.16,.65,;-4.62,1.12,;-5.53,-.12,;-4.62,-1.37,;-7.07,-.12,;-8.61,-.12,;3.99,-3.77,;5.53,-3.77,)|
CCOCc1ccc2CC3(CCC(CC3)OC)C3(N=C(SCC)N(C)C3=O)c2c1 |t:19,(-10.16,-17.36,;-8.83,-16.59,;-7.49,-17.36,;-6.16,-16.59,;-4.83,-17.36,;-4.83,-18.9,;-3.49,-19.67,;-2.16,-18.9,;-.69,-19.37,;.21,-18.13,;1.56,-18.88,;2.33,-20.21,;3.82,-19.81,;2.48,-19.06,;1.7,-17.73,;4.91,-20.9,;6.4,-20.5,;-.69,-16.88,;-1.94,-15.98,;-1.46,-14.51,;-2.23,-13.18,;-3.72,-12.78,;-4.81,-13.87,;.08,-14.51,;.85,-13.18,;.55,-15.98,;2.04,-16.38,;-2.16,-17.36,;-3.49,-16.59,)|
CN1C(N)=NC2(C1=O)c1cc(Br)ccc1CC21CNC1 |c:3|
COCCOc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(C4CCC4)C3=O)c2c1 |r,wD:10.9,13.16,t:20,(-8.28,-.6,;-6.95,-1.37,;-5.62,-.6,;-4.28,-1.37,;-2.95,-.6,;-1.62,-1.37,;-1.62,-2.91,;-.28,-3.68,;1.05,-2.91,;2.52,-3.38,;3.42,-2.14,;4.51,-1.05,;6,-1.45,;6.4,-2.93,;5.31,-4.02,;3.82,-3.62,;7.88,-3.33,;8.28,-4.82,;2.52,-.89,;1.05,-.42,;1.05,1.12,;-.28,1.89,;2.52,1.6,;3.29,2.93,;4.77,3.33,;4.38,4.82,;2.89,4.42,;3.42,.35,;4.96,.35,;1.05,-1.37,;-.28,-.6,)|
COC1CCC2(Cc3ccc(cc3C22NC(=O)N(CCF)C2=O)B2OC(C)(C)C(C)(C)O2)CC1 |(5.6,6.49,;4.27,5.72,;2.93,6.49,;1.84,5.4,;.51,6.16,;-1.03,6.16,;-1.94,4.92,;-3.4,5.39,;-4.74,4.62,;-6.07,5.39,;-6.07,6.93,;-4.74,7.7,;-3.4,6.93,;-1.94,7.41,;-3.18,8.31,;-2.71,9.78,;-3.48,11.11,;-1.17,9.78,;-.08,10.87,;1.41,10.47,;2.5,11.56,;-.69,8.31,;.64,7.54,;-7.4,7.7,;-8.87,7.23,;-9.77,8.47,;-11.11,9.24,;-11.11,7.7,;-8.87,9.72,;-9.64,11.05,;-8.1,11.05,;-7.4,9.24,;.06,7.25,;1.39,6.49,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CCc3nccs3)C2=O)C#N)CC1 |r,wD:5.5,2.1,t:16,(6.55,-4.77,;5.78,-3.44,;4.24,-3.44,;3.47,-2.11,;1.93,-2.11,;1.16,-3.44,;.25,-4.69,;-1.21,-4.21,;-2.55,-4.98,;-3.88,-4.21,;-3.88,-2.67,;-2.55,-1.9,;-1.21,-2.67,;.25,-2.19,;-1.21,-1.72,;-1.21,-.18,;-2.55,.59,;.25,.3,;1.02,1.63,;2.56,1.63,;3.33,2.96,;4.8,2.49,;5.7,3.73,;4.8,4.98,;3.33,4.5,;1.16,-.95,;2.7,-.95,;-5.21,-1.9,;-6.55,-1.13,;1.93,-4.77,;3.47,-4.77,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(N)N(CC3CCO3)C2=O)C#CC2CC2)CC1 |r,wU:13.15,wD:5.5,2.1,t:16,(7.98,-3.29,;7.21,-1.95,;5.67,-1.95,;4.9,-.62,;3.36,-.62,;2.59,-1.95,;1.69,-3.2,;.22,-2.72,;-1.11,-3.49,;-2.44,-2.72,;-2.44,-1.18,;-1.11,-.41,;.22,-1.18,;1.69,-.71,;.22,-.23,;.22,1.31,;-1.11,2.08,;1.69,1.79,;2.46,3.12,;3.95,2.72,;4.72,1.39,;6.05,2.16,;5.28,3.49,;2.59,.54,;4.13,.54,;-3.78,-.41,;-5.11,.36,;-6.44,1.13,;-7.21,2.46,;-7.98,1.13,;3.36,-3.29,;4.9,-3.29,)|
CO[C@H]1CC[C@@]2(Cc3ccc(CN4CCC(F)(F)C4)cc3C22N=C(N)N(C)C2=O)CC1 |r,wD:5.5,2.1,t:25,(8.4,-3.1,;7.63,-1.77,;6.09,-1.77,;5.32,-.43,;3.78,-.43,;3.01,-1.77,;2.1,-3.01,;.64,-2.54,;-.69,-3.31,;-2.03,-2.54,;-2.03,-1,;-3.36,-.23,;-4.7,-1,;-4.7,-2.54,;-6.16,-3.01,;-7.07,-1.77,;-8.4,-1,;-8.4,-2.54,;-6.16,-.52,;-.69,-.23,;.64,-1,;2.1,-.52,;.64,-.04,;.64,1.5,;-.69,2.27,;2.1,1.97,;2.87,3.31,;3.01,.73,;4.55,.73,;3.78,-3.1,;5.32,-3.1,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Oc4ccccc4)cc3[C@@]22N=C(N)N(C)C2=O)CC1 |r,wU:20.23,wD:5.5,2.1,t:24,(7.88,-3.1,;7.11,-1.77,;5.57,-1.77,;4.8,-.43,;3.26,-.43,;2.49,-1.77,;1.59,-3.01,;.12,-2.54,;-1.21,-3.31,;-2.55,-2.54,;-2.55,-1,;-3.88,-.23,;-5.21,-1,;-6.55,-.23,;-7.88,-1,;-7.88,-2.54,;-6.55,-3.31,;-5.21,-2.54,;-1.21,-.23,;.12,-1,;1.59,-.52,;.12,-.04,;.12,1.5,;-1.21,2.27,;1.59,1.97,;2.36,3.31,;2.49,.73,;4.03,.73,;3.26,-3.1,;4.8,-3.1,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Oc4ccccc4)cc3[C@]22N=C(N)N(C)C2=O)CC1 |r,wD:5.5,20.23,2.1,t:24,(7.88,-3.1,;7.11,-1.77,;5.57,-1.77,;4.8,-.43,;3.26,-.43,;2.49,-1.77,;1.59,-3.01,;.12,-2.54,;-1.21,-3.31,;-2.55,-2.54,;-2.55,-1,;-3.88,-.23,;-5.21,-1,;-6.55,-.23,;-7.88,-1,;-7.88,-2.54,;-6.55,-3.31,;-5.21,-2.54,;-1.21,-.23,;.12,-1,;1.59,-.52,;.12,-.04,;.12,1.5,;-1.21,2.27,;1.59,1.97,;2.36,3.31,;2.49,.73,;4.03,.73,;3.26,-3.1,;4.8,-3.1,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@]22N=C(N)N(C)C2=O)CC1 |r,wD:5.5,14.16,2.1,t:17,(5.88,-3.1,;5.11,-1.77,;3.57,-1.77,;2.8,-.43,;1.26,-.43,;.49,-1.77,;-.41,-3.01,;-1.88,-2.54,;-3.21,-3.31,;-4.55,-2.54,;-4.55,-1,;-5.88,-.23,;-3.21,-.23,;-1.88,-1,;-.41,-.52,;-1.88,-.04,;-1.88,1.5,;-3.21,2.27,;-.41,1.97,;.36,3.31,;.49,.73,;2.03,.73,;1.26,-3.1,;2.8,-3.1,)|
COCCN1C(N)=N[C@@]2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)C#CC1CC1 |r,wD:18.19,8.7,21.27,c:6,(6.49,3.06,;5,3.46,;3.91,2.37,;2.43,2.77,;1.34,1.68,;-.2,1.68,;-.97,3.01,;-.68,.21,;.57,-.69,;1.81,.21,;3.3,-.18,;-.9,-1.17,;-2.23,-.4,;-3.56,-1.17,;-3.56,-2.71,;-2.23,-3.48,;-.9,-2.71,;.57,-3.18,;1.47,-1.94,;2.58,-.87,;3.9,-1.69,;5.44,-1.7,;4.33,-2.76,;3.01,-1.94,;6.77,-2.47,;8.1,-1.7,;-4.9,-.4,;-6.23,.37,;-7.57,1.14,;-8.34,2.48,;-9.11,1.14,)|
COCCN1C(N)=N[C@]2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)C#CC1CC1 |r,wU:8.7,wD:18.19,21.27,c:6,(6.49,3.06,;5,3.46,;3.91,2.37,;2.43,2.77,;1.34,1.68,;-.2,1.68,;-.97,3.01,;-.68,.21,;.57,-.69,;1.81,.21,;3.3,-.18,;-.9,-1.17,;-2.23,-.4,;-3.56,-1.17,;-3.56,-2.71,;-2.23,-3.48,;-.9,-2.71,;.57,-3.18,;1.47,-1.94,;2.58,-.87,;3.9,-1.69,;5.44,-1.7,;4.33,-2.76,;3.01,-1.94,;6.77,-2.47,;8.1,-1.7,;-4.9,-.4,;-6.23,.37,;-7.57,1.14,;-8.34,2.48,;-9.11,1.14,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-n2ccccc2=O)CC1 |r,wD:5.5,2.1,t:16,(7.21,-.43,;6.44,-1.77,;4.9,-1.77,;4.13,-.43,;2.59,-.43,;1.82,-1.77,;.92,-3.01,;-.55,-2.54,;-1.88,-3.31,;-3.21,-2.54,;-3.21,-1,;-1.88,-.23,;-.55,-1,;.92,-.52,;-.55,-.04,;-.55,1.5,;-1.88,2.27,;.92,1.97,;1.69,3.31,;1.82,.73,;3.36,.73,;-4.55,-.23,;-4.55,1.31,;-5.88,2.08,;-7.21,1.31,;-7.21,-.23,;-5.88,-1,;-5.88,-2.54,;2.59,-3.1,;4.13,-3.1,)|
CN1C(N)=NC2(C1=O)c1cc(ccc1O[C@@]21CC[C@@H](CC1)OC(F)F)C#CC1CC1 |r,wD:15.16,18.24,c:3,(2.46,3.81,;1.69,2.47,;.15,2.47,;-.62,3.81,;-.33,1.01,;.92,.1,;2.16,1.01,;3.65,1.41,;-.55,-.37,;-1.88,.4,;-3.21,-.37,;-3.21,-1.91,;-1.88,-2.68,;-.55,-1.91,;.92,-2.39,;1.82,-1.14,;2.59,.19,;4.13,.19,;4.9,-1.14,;4.13,-2.47,;2.59,-2.47,;6.44,-1.14,;7.21,-2.47,;8.75,-2.47,;6.44,-3.81,;-4.55,.4,;-5.88,1.17,;-7.21,1.94,;-7.98,3.27,;-8.75,1.94,)|
CN1C(N)=NC2(C1=O)c1cc(Br)ccc1O[C@@]21CC[C@@H](CC1)OC(F)F |r,wD:16.17,19.25,c:3,(.36,3.81,;-.41,2.47,;-1.95,2.47,;-2.72,3.81,;-2.43,1.01,;-1.18,.1,;.06,1.01,;1.6,1.01,;-2.65,-.37,;-3.98,.4,;-5.32,-.37,;-6.65,.4,;-5.32,-1.91,;-3.98,-2.68,;-2.65,-1.91,;-1.18,-2.39,;-.28,-1.14,;.49,.19,;2.03,.19,;2.8,-1.14,;2.03,-2.47,;.49,-2.47,;4.34,-1.14,;5.11,-2.47,;4.34,-3.81,;6.65,-2.47,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(N)N(CC(C)(C)O)C2=O)CC1 |r,wU:14.16,wD:5.5,2.1,t:17,(5.88,-3.77,;5.11,-2.43,;3.57,-2.43,;2.8,-1.1,;1.26,-1.1,;.49,-2.43,;-.41,-3.68,;-1.88,-3.2,;-3.21,-3.97,;-4.55,-3.2,;-4.55,-1.66,;-5.88,-.89,;-3.21,-.89,;-1.88,-1.66,;-.41,-1.19,;-1.88,-.71,;-1.88,.83,;-3.21,1.6,;-.41,1.31,;.36,2.64,;1.9,2.64,;2.67,3.97,;2.67,1.31,;3.44,2.64,;.49,.06,;2.03,.06,;1.26,-3.77,;2.8,-3.77,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(N)N(Cc3cnccn3)C2=O)CC1 |r,wU:14.16,wD:5.5,2.1,t:17,(5.88,-3.77,;5.11,-2.43,;3.57,-2.43,;2.8,-1.1,;1.26,-1.1,;.49,-2.43,;-.41,-3.68,;-1.88,-3.2,;-3.21,-3.97,;-4.55,-3.2,;-4.55,-1.66,;-5.88,-.89,;-3.21,-.89,;-1.88,-1.66,;-.41,-1.19,;-1.88,-.71,;-1.88,.83,;-3.21,1.6,;-.41,1.31,;.36,2.64,;1.9,2.64,;2.67,1.31,;4.21,1.31,;4.98,2.64,;4.21,3.97,;2.67,3.97,;.49,.06,;2.03,.06,;1.26,-3.77,;2.8,-3.77,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(N)N([C@@H](C)CO)C2=O)CC1 |r,wU:14.16,19.21,wD:5.5,2.1,t:17,(5.88,-3.77,;5.11,-2.43,;3.57,-2.43,;2.8,-1.1,;1.26,-1.1,;.49,-2.43,;-.41,-3.68,;-1.88,-3.2,;-3.21,-3.97,;-4.55,-3.2,;-4.55,-1.66,;-5.88,-.89,;-3.21,-.89,;-1.88,-1.66,;-.41,-1.19,;-1.88,-.71,;-1.88,.83,;-3.21,1.6,;-.41,1.31,;.36,2.64,;-.41,3.97,;1.9,2.64,;2.67,1.31,;.49,.06,;2.03,.06,;1.26,-3.77,;2.8,-3.77,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(N)N([C@H](C)CO)C2=O)CC1 |r,wU:14.16,wD:5.5,2.1,19.21,t:17,(5.88,-3.77,;5.11,-2.43,;3.57,-2.43,;2.8,-1.1,;1.26,-1.1,;.49,-2.43,;-.41,-3.68,;-1.88,-3.2,;-3.21,-3.97,;-4.55,-3.2,;-4.55,-1.66,;-5.88,-.89,;-3.21,-.89,;-1.88,-1.66,;-.41,-1.19,;-1.88,-.71,;-1.88,.83,;-3.21,1.6,;-.41,1.31,;.36,2.64,;-.41,3.97,;1.9,2.64,;2.67,1.31,;.49,.06,;2.03,.06,;1.26,-3.77,;2.8,-3.77,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(N)N(C)C2=O)CC1 |r,wU:14.16,wD:5.5,2.1,t:17,(5.88,-3.1,;5.11,-1.77,;3.57,-1.77,;2.8,-.43,;1.26,-.43,;.49,-1.77,;-.41,-3.01,;-1.88,-2.54,;-3.21,-3.31,;-4.55,-2.54,;-4.55,-1,;-5.88,-.23,;-3.21,-.23,;-1.88,-1,;-.41,-.52,;-1.88,-.04,;-1.88,1.5,;-3.21,2.27,;-.41,1.97,;.36,3.31,;.49,.73,;2.03,.73,;1.26,-3.1,;2.8,-3.1,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Oc4cccc(c4)C#N)cc3[C@@]22N=C(N)N(C)C2=O)CC1 |r,wU:22.25,wD:5.5,2.1,t:26,(9.21,-3.04,;8.44,-1.7,;6.9,-1.7,;6.13,-.37,;4.59,-.37,;3.82,-1.7,;2.92,-2.95,;1.45,-2.47,;.12,-3.24,;-1.21,-2.47,;-1.21,-.93,;-2.55,-.16,;-3.88,-.93,;-3.88,-2.47,;-5.21,-3.24,;-6.55,-2.47,;-6.55,-.93,;-5.21,-.16,;-7.88,-.16,;-9.21,.61,;.12,-.16,;1.45,-.93,;2.92,-.46,;1.67,.45,;2.15,1.91,;1.38,3.24,;3.69,1.91,;4.46,3.24,;4.17,.45,;5.71,.45,;4.59,-3.04,;6.13,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Oc4cc(Cl)cc(Cl)c4)cc3C22N=C(N)N(C)C2=O)CC1 |r,wD:5.5,2.1,t:26,(8.55,-2.27,;7.78,-.93,;6.24,-.93,;5.47,.4,;3.93,.4,;3.16,-.93,;2.25,-2.18,;.79,-1.7,;-.55,-2.47,;-1.88,-1.7,;-1.88,-.16,;-3.21,.61,;-4.55,-.16,;-5.88,.61,;-7.21,-.16,;-8.55,.61,;-7.21,-1.7,;-5.88,-2.47,;-5.88,-4.01,;-4.55,-1.7,;-.55,.61,;.79,-.16,;2.25,.31,;1.01,1.22,;1.48,2.68,;.71,4.01,;3.02,2.68,;3.79,4.01,;3.5,1.22,;5.04,1.22,;3.93,-2.27,;5.47,-2.27,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Oc4cccc(Cl)c4)cc3C22ON(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:29,(8.28,-3.88,;7.88,-2.39,;6.4,-1.99,;6,-.5,;4.51,-.11,;3.42,-1.19,;2.52,-2.44,;1.05,-1.96,;-.28,-2.73,;-1.62,-1.96,;-1.62,-.42,;-2.95,.35,;-4.28,-.42,;-4.28,-1.96,;-5.62,-2.73,;-6.95,-1.96,;-6.95,-.42,;-8.28,.35,;-5.62,.35,;-.28,.35,;1.05,-.42,;2.52,.05,;3.98,.53,;3.98,2.07,;5.32,2.84,;2.52,2.54,;1.75,3.88,;1.61,1.3,;3.82,-2.68,;5.31,-3.08,)|
CO[C@H]1CC[C@@]2(Cc3ccc(Oc4ccc(Cl)cc4)cc3C22ON(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:29,(8.28,-3.82,;7.88,-2.33,;6.4,-1.93,;6,-.44,;4.51,-.04,;3.42,-1.13,;2.52,-2.38,;1.05,-1.9,;-.28,-2.67,;-1.62,-1.9,;-1.62,-.36,;-2.95,.41,;-4.28,-.36,;-5.62,.41,;-6.95,-.36,;-6.95,-1.9,;-8.28,-2.67,;-5.62,-2.67,;-4.28,-1.9,;-.28,.41,;1.05,-.36,;2.52,.11,;3.76,1.02,;3.29,2.48,;4.06,3.82,;1.75,2.48,;.98,3.82,;1.27,1.02,;3.82,-2.62,;5.31,-3.02,)|
CCCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(OC)c2)CC1 |r,wD:7.7,4.3,c:22,(9.23,-4.76,;8.83,-3.27,;7.34,-2.87,;6.94,-1.39,;5.45,-.99,;5.06,.5,;3.57,.9,;2.48,-.19,;1.57,-1.44,;.11,-.96,;-1.22,-1.73,;-2.56,-.96,;-2.56,.58,;-1.22,1.35,;.11,.58,;1.57,1.06,;2.82,1.96,;2.34,3.43,;3.11,4.76,;.8,3.43,;.03,4.76,;.33,1.96,;-3.89,1.35,;-3.89,2.89,;-5.23,3.66,;-6.56,2.89,;-6.56,1.35,;-7.89,.58,;-9.23,1.35,;-5.23,.58,;2.88,-1.68,;4.37,-2.08,)|
CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(OC)c2)CC1 |r,wD:6.6,3.2,c:21,(9.23,-3.04,;7.69,-3.04,;6.92,-1.7,;5.38,-1.7,;4.61,-.37,;3.07,-.37,;2.3,-1.7,;1.39,-2.95,;-.07,-2.47,;-1.41,-3.24,;-2.74,-2.47,;-2.74,-.93,;-1.41,-.16,;-.07,-.93,;1.39,-.46,;2.64,.45,;2.16,1.91,;2.93,3.24,;.62,1.91,;-.15,3.24,;.15,.45,;-4.07,-.16,;-4.47,1.32,;-5.96,1.72,;-7.05,.63,;-6.65,-.86,;-7.74,-1.94,;-9.23,-1.55,;-5.16,-1.25,;3.07,-3.04,;4.61,-3.04,)|
CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(OC)c2)CC1 |r,wD:6.6,3.2,t:17,(9.32,-3.04,;7.78,-3.04,;7.01,-1.7,;5.47,-1.7,;4.7,-.37,;3.16,-.37,;2.39,-1.7,;1.48,-2.95,;.02,-2.47,;-1.32,-3.24,;-2.65,-2.47,;-2.65,-.93,;-1.32,-.16,;.02,-.93,;1.48,-.46,;.24,.45,;.71,1.91,;-.06,3.24,;2.25,1.91,;3.02,3.24,;2.73,.45,;4.27,.45,;-3.98,-.16,;-3.98,1.38,;-5.32,2.15,;-6.65,1.38,;-6.65,-.16,;-7.98,-.93,;-9.32,-.16,;-5.32,-.93,;3.16,-3.04,;4.7,-3.04,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 |r,wD:5.5,2.1,t:21,(7.88,-3.71,;7.11,-2.37,;5.57,-2.37,;4.8,-1.04,;3.26,-1.04,;2.49,-2.37,;1.59,-3.62,;.12,-3.14,;-1.21,-3.91,;-2.55,-3.14,;-2.55,-1.6,;-3.88,-.83,;-5.21,-1.6,;-6.55,-.83,;-7.88,-1.6,;-6.55,.71,;-1.21,-.83,;.12,-1.6,;1.59,-1.13,;.34,-.22,;.82,1.24,;.05,2.58,;2.36,1.24,;3.13,2.58,;2.36,3.91,;4.67,2.58,;2.83,-.22,;4.37,-.22,;3.26,-3.71,;4.8,-3.71,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCCOC(C)C)cc3C22N=C(N)N(C(C)C)C2=O)CC1 |r,wD:5.5,2.1,t:23,(9.21,-3.71,;8.44,-2.37,;6.9,-2.37,;6.13,-1.04,;4.59,-1.04,;3.82,-2.37,;2.92,-3.62,;1.45,-3.14,;.12,-3.91,;-1.21,-3.14,;-1.21,-1.6,;-2.55,-.83,;-3.88,-1.6,;-5.21,-.83,;-6.55,-1.6,;-7.88,-.83,;-9.21,-1.6,;-7.88,.71,;.12,-.83,;1.45,-1.6,;2.92,-1.13,;1.67,-.22,;2.15,1.24,;1.38,2.58,;3.69,1.24,;4.46,2.58,;3.69,3.91,;6,2.58,;4.17,-.22,;5.71,-.22,;4.59,-3.71,;6.13,-3.71,)|
COCCCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccc(OC)c2)CC1 |r,wD:9.9,6.5,c:24,(10.17,-5.76,;9.77,-4.28,;8.28,-3.88,;7.88,-2.39,;6.4,-1.99,;6,-.5,;4.51,-.11,;4.11,1.38,;2.63,1.78,;1.54,.69,;.63,-.55,;-.83,-.08,;-2.17,-.85,;-3.5,-.08,;-3.5,1.46,;-2.17,2.23,;-.83,1.46,;.63,1.94,;2.1,2.41,;2.1,3.95,;3.43,4.72,;.63,4.43,;-.14,5.76,;-.27,3.18,;-4.83,2.23,;-4.83,3.77,;-6.17,4.54,;-7.5,3.77,;-7.5,2.23,;-8.84,1.46,;-10.17,2.23,;-6.17,1.46,;1.93,-.8,;3.42,-1.19,)|
COCCCOc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(CC(F)F)C3=O)c2c1 |r,wD:11.10,14.17,t:21,(-9.21,-1.88,;-7.88,-1.11,;-6.55,-1.88,;-5.21,-1.11,;-3.88,-1.88,;-2.55,-1.11,;-1.21,-1.88,;-1.21,-3.42,;.12,-4.19,;1.45,-3.42,;2.92,-3.89,;3.82,-2.65,;4.59,-1.31,;6.13,-1.31,;6.9,-2.65,;6.13,-3.98,;4.59,-3.98,;8.44,-2.65,;9.21,-3.98,;2.92,-1.4,;1.67,-.5,;2.15,.97,;1.38,2.3,;3.69,.97,;4.46,2.3,;5.95,2.7,;6.35,4.19,;7.04,1.61,;4.17,-.5,;5.71,-.5,;1.45,-1.88,;.12,-1.11,)|
CCOCCCc1ccc2C[C@@]3(CC[C@@H](CC3)OC)C3(N=C(N)N(CC(F)F)C3=O)c2c1 |r,wD:11.10,14.17,t:21,(-9.21,-1.88,;-7.88,-1.11,;-6.55,-1.88,;-5.21,-1.11,;-3.88,-1.88,;-2.55,-1.11,;-1.21,-1.88,;-1.21,-3.42,;.12,-4.19,;1.45,-3.42,;2.92,-3.89,;3.82,-2.65,;4.59,-1.31,;6.13,-1.31,;6.9,-2.65,;6.13,-3.98,;4.59,-3.98,;8.44,-2.65,;9.21,-3.98,;2.92,-1.4,;1.67,-.5,;2.15,.97,;1.38,2.3,;3.69,.97,;4.46,2.3,;5.95,2.7,;6.35,4.19,;7.04,1.61,;4.17,-.5,;5.71,-.5,;1.45,-1.88,;.12,-1.11,)|
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CCCO4)cc3C22N=C(N)N(CC(F)F)C2=O)CC1 |r,wD:5.5,2.1,t:24,(8.4,-3.98,;7.63,-2.65,;6.09,-2.65,;5.32,-1.31,;3.78,-1.31,;3.01,-2.65,;2.1,-3.89,;.64,-3.42,;-.69,-4.19,;-2.03,-3.42,;-2.03,-1.88,;-3.36,-1.11,;-4.7,-1.88,;-6.03,-1.11,;-6.03,.43,;-7.49,.91,;-8.4,-.34,;-7.49,-1.58,;-.69,-1.11,;.64,-1.88,;2.1,-1.4,;.86,-.5,;1.33,.97,;.56,2.3,;2.87,.97,;3.64,2.3,;5.13,2.7,;5.53,4.19,;6.22,1.61,;3.35,-.5,;4.89,-.5,;3.78,-3.98,;5.32,-3.98,)|
C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F |r|
COc1ccnc(Oc2ccc(F)c(c2)[C@]23CO[C@@H](C)C[C@H]2S(=O)(=O)N(C)C(=N)N3)n1 |r|
C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F |r|
C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncncc2F)ccc1F |r|
C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F |r|
C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F |r|
C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F |r|
C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC23CC(C2)(C3)C#N)ccc1F |r|
COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cncc(OC)n2)ccc1F |r|
COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F |r|
COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncncc2F)ccc1F |r|
COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F |r|
COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F |r|
COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F |r|
COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(OCC23CC(C2)(C3)C#N)ccc1F |r|
COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cccnc2)ccc1F |r|
COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cccc(c2)C#N)ccc1F |r|
COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cccnc2F)ccc1F |r|
COC[C@H]1C[C@@H]2[C@](CO1)(NC(=N)N(C)S2(=O)=O)c1cc(Oc2cnccc2Cl)ccc1F |r|
[NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccc(cn2)C#N)n1 |t:1|
[NH3+]C1=NC(CF)(COC1)c1cccc(NC(=O)c2ccccn2)n1 |t:1|
Cc1cc(Cl)cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC([NH3+])=N1 |c:26|
NC(=S)c1ccc(nc1)C(=O)Nc1cc(ccn1)C1(CF)COCC([NH3+])=N1 |c:27|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Cl)cn2)n1 |r,c:7|
CC(F)(F)COc1cnc(C(=O)Nc2cccc(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(N)n1 |r,c:27|
Cc1cc(OCC(C)(F)F)cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:32|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C(F)F |r,c:26|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(CC(F)F)nc2N)ccc1F |r,c:7|
Cc1cn(nc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C(F)F |r,c:25|
Cc1cc2N(CC(F)F)CCc2nc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:34|
COCCN1CCc2nc(C(=O)Nc3ccc(F)c(n3)[C@]3(C)CO[C@](C)(C(N)=N3)C(F)(F)F)c(Cl)cc12 |r,c:28|
C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F |r|
C[C@@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F |r|
C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Br)ccc1F |r|
CC(C)COc1ccc(F)c(c1)[C@]12CO[C@@H](C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 |r|
C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F |r|
C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F |r|
C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F |r|
C[C@@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F |r|
C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F |r|
COc1ccc(F)c(c1)[C@]12CO[C@@H](C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 |r|
COc1ccc(F)c(c1)[C@]12CO[C@H](C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 |r|
COc1ccc(F)c(c1)[C@]12CO[C@H](C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2)c1ccc(F)cc1 |r|
CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(OCC2CC2)ccc1F |r|
CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(Oc2ncccc2F)ccc1F |r|
CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(Oc2cc(ccn2)C#N)ccc1F |r|
COc1ccc(F)c(c1)[C@]12CO[C@@H](CO)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 |r|
CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F |r|
CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncccc2F)ccc1F |r|
CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F |r|
CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2ncc(F)cc2F)ccc1F |r|
CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(F)cnc2F)ccc1F |r|
CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OCC2CC2)ccc1F |r|
CC(C)COc1ccc(F)c(c1)[C@]12COC(C)(C)C[C@H]1S(=O)(=O)C(C)(C)C(=N)N2 |r|
CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(OC2CCC2)ccc1F |r|
CC(C)[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1ccccc1F |r|
C[C@]1(C[S@]2(=O)=NCCCCN2C(N)=N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:13|
C[C@]1(C[S@@]2(=O)=NCCCCN2C(N)=N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:13|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)C[S@@]2(=O)=NCCCCN2C(N)=N1)C#N |r,c:32|
NC1=N[C@@](CF)(C[S@]2(=O)=NCCCCN12)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
NC1=N[C@@](CF)(C[S@@]2(=O)=NCCCCN12)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
CC#Cc1ccc2[nH]c(c(Cl)c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
CC#Cc1ccc2sc3cc(F)c(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
CC#Cc1ccc2c(c1)-c1cc(ccc1S2(=O)=O)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
CC#Cc1ccc2c(c1)c1cc(ccc1s2=O)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
CC#Cc1ccc2c(c1)-c1cc(ccc1C2(C)C)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
CC#Cc1ccc2c(c1)-c1cc(ccc1C2(F)F)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C#N |r|
COCC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C#CCO |r|
CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(Br)cc3c2c1 |r|
CCCc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C1CC1 |r|
CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C(N)=O |r|
CCN(CC)c1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C(F)(F)F |r|
CC#Cc1ccc2sc3ccc(cc3c2c1)[C@@]1(CC(=O)N(C)C(=N)N1)C1CC1 |r|
CC#Cc1ccc2sc3ccc(cc3c2c1)[C@@]1(C)NC(=N)OCC1(F)F |r|
CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)N(C)C(=N)N1 |r|
CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(CC(F)F)C(=N)N1 |r|
COCCN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C#CC |r|
CC#Cc1ccc2sc3cc(F)c(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r|
CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CN(C)C(=O)C(=N)N1 |r|
CC#Cc1ccc2sc3cc(Cl)c(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
C[C@]1(C=CSC(N)=N1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |c:2,6|
C[C@]1(C=CSC(N)=N1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |c:2,6|
C[C@]1(CCSC(N)=N1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |c:6|
C[C@]1(CCSC(N)=N1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |c:6|
COC(=O)[C@H]1C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:8|
COC(=O)[C@@H]1C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:8|
COC(=O)[C@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:9|
COC(=O)[C@@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |t:9|
COC(=O)[C@@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:9|
COC(=O)[C@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:9|
C[C@]1(C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F)C(=O)N1CCOCC1 |t:5|
C[C@@]1(C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F)C(=O)N1CCOCC1 |t:5|
CNC(=O)[C@@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:9|
CNC(=O)[C@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |t:9|
C[C@]1(C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F)C(=O)N1CCOCC1 |t:5|
C[C@]1(C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F)C(=O)NCC(F)F |t:5|
CNC(=O)[C@]1(C)C[C@](C)(N=C(N)S1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |t:9|
NC1=N[C@@](CF)([C@@H]2C[C@]2(CO)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N |r,t:1|
NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N |r,t:1|
NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(Cl)cn1 |r,t:1|
NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1cnc(cn1)C#N |r,t:1|
Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@@]2(CF)C[C@@H]12)C#N |r,t:21|
CC#CCOc1ccc(nc1)C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@@]2(CF)C[C@@H]12 |r,t:25|
NC1=N[C@@](CF)([C@@H]2C[C@]2(CC#N)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N |r,t:1|
NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C#N)c1cc(ccc1F)C#Cc1ccc(cn1)C#N |r,t:1|
NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ccc(OCc2ncco2)cn1 |r,t:1|
NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1ncc(s1)C#N |r,t:1|
C[C@@]1(N=C(N)S[C@]2(CO)[C@H]1C2(F)F)c1cc(ccc1F)C#Cc1ccc(cn1)C#N |r,t:2|
NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N |r,t:1|
CN(C)C(=O)\C=C\[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N |r,t:14|
NC(=O)C[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N |r,t:11|
C[C@@]1(N=C(N)S[C@@]2(CF)C[C@@H]12)c1cc(cnc1F)C#Cc1ccc(cn1)C#N |r,t:2|
Cc1cn(C[C@]23C[C@H]2[C@](CF)(N=C(N)S3)c2cc(ccc2F)C#Cc2ccc(cn2)C#N)nn1 |r,t:12|
Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@]2(C[C@@H]12)\C=C\C(=O)N1CCOCC1)C#N |r,t:21|
NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(Cl)cn1 |r,t:1|
Cc1cc(sn1)C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@]2(C[C@@H]12)\C=C\C(=O)N1CCOCC1 |r,t:20|
NC1=N[C@@](CF)([C@@H]2C[C@]2(CCC(=O)N2CCOCC2)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N |r,t:1|
Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@@]2(CCC(=O)N3CCOCC3)C[C@@H]12)C#N |r,t:21|
NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(cn1)C#N |r,t:1|
NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ccc(cc1)C#N |r,t:1|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(cc1C)C#N |r,t:11|
NC1=N[C@@](CF)([C@@H]2C[C@@]2(S1)\C=C\C(=O)N1CCOCC1)c1cc(ccc1F)C#Cc1ncc(cc1F)C#N |r,t:1|
NC1=N[C@@](CF)([C@@H]2C[C@]2(Cn2ccnc2)S1)c1cc(ccc1F)C#Cc1ccc(cn1)C#N |r,t:1|
Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C#N)C#N |r,t:20|
CN(C)C(=O)[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(cc1C)C#N |r,t:12|
Cc1cc(cnc1C#Cc1ccc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(C[C@@H]12)C(=O)N1CCCC1)C#N |r,t:20|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cc1)C#N |r,t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(OCC#C)cn1 |r,t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(OCc2ncco2)cc1C |r,t:11|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#CC1CC1 |r,t:11|
COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N |r,t:9|
COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(Cl)cc1C |r,t:9|
COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#Cc1ncc(cc1C)C#N |r,t:9|
Cc1cc(cnc1C#Cc1cnc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(CC12)C(=O)N1CCOCC1)C#N |r,t:20|
Cc1cc(cnc1C#Cc1cnc(F)c(c1)[C@@]1(C)N=C(N)S[C@]2(CC12)C(=O)N1CCCC1)C#N |r,t:20|
NC1=N[C@@](CF)([C@@H]2C[C@]2(CF)S1)c1cc(ccc1F)C#Cc1cc(Cl)ccn1 |r,t:1|
CN(C)C(=O)[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(ccc1F)C#C |r,t:11|
C[C@H]1C[C@@]2(F)CSC(N)=N[C@]2(CO1)c1cc(N)ccc1F |r,c:8|
C[C@H]1C[C@@]2(F)CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:8|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]12CO[C@@H](C)C[C@@]1(F)CSC(N)=N2 |r,c:32|
C[C@H]1C[C@@]2(F)CSC(N)=N[C@]2(CO1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |r,c:8|
COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]12CO[C@@H](C)C[C@@]1(F)CSC(N)=N2 |r,c:31|
C[C@H]1C[C@@]2(F)CSC(N)=N[C@]2(CO1)c1cccc(NC(=O)c2cnc(C)cn2)c1 |r,c:8|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
FC(F)[C@@]1(N=C(NC(=O)c2ccccc2)O[C@@H]2C[C@H]12)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F |r,t:4|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:1|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |r,c:7|
C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |r,t:2|
CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1OCC(F)(F)F |r,t:25|
C[C@@]1(N=C(N)OCC1(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)COC1(F)F)c1nc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:2|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,c:7|
C[C@H]1C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(ccn2)[N+]#[C-])ccc1F |r|
CC1(C)C(=N)N[C@]2(CO[C@H](C[C@H]2S1(=O)=O)c1ccc(F)cc1)c1cc(Oc2cc(ccn2)[N+]#[C-])ccc1F |r|
CC1(C)C[C@@H]2[C@](CO1)(NC(=N)C(C)(C)S2(=O)=O)c1cc(Oc2cc(ccn2)[N+]#[C-])ccc1F |r|
C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |r,c:12|
C[C@@]1(N=C(N)[C@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)[C@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:2|
C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,c:12|
CN1C(NC(=O)OC(C)(C)C)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |r,c:10|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Br)cn2)cc(F)c1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)cc(F)c1F |r,c:3|
C[C@@]1(N=C(N)[C@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F |r,wD:1.0,10.9,5.5,t:2,TLB:4:3:8.9:11,THB:14:1:8.9:11,0:1:8.9:11,(-1.04,-1.11,;-.93,-2.65,;-.68,-4.17,;-1.64,-3.37,;-2.16,-4.82,;-3.45,-3.37,;-4.54,-2.28,;-6.03,-2.68,;-4.42,-4.7,;-3.27,-4,;-2.67,-2.68,;-3.71,-1.85,;-5.25,-1.69,;-3.13,-.43,;.59,-2.47,;1.2,-1.05,;2.73,-.87,;3.34,.54,;2.42,1.78,;.89,1.6,;3.03,3.19,;4.56,3.37,;5.17,4.79,;4.25,6.02,;4.86,7.44,;6.39,7.62,;6.99,9.03,;8.52,9.21,;6.07,10.26,;7.6,10.45,;2.72,5.84,;2.11,4.43,;3.65,-2.11,;3.05,-3.52,;1.52,-3.7,;.91,-5.12,)|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)C2CCOCC2)cc(F)c1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:3|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |r,c:4|
Cc1noc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@]3(CF)CC[C@@H]2S3(=O)=O)n1 |r,t:27,THB:21:23:31.32:34,27:26:31.32:34,24:23:31.32:34|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F |r,c:3|
C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CC3)cn2)ccc1F |r,t:2,THB:14:1:8.9:11,0:1:8.9:11,4:3:8.9:11|
Cc1nnc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@@]2(C)N=C(N)[C@@]3(CF)CC[C@@H]2S3(=O)=O)o1 |r,t:27,THB:21:23:31.32:34,24:23:31.32:34,27:26:31.32:34|
C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)ccc1F |r,t:2,THB:14:1:8.9:11,0:1:8.9:11,4:3:8.9:11|
COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O |r,t:22,THB:19:18:26.27:29,22:21:26.27:29,16:18:26.27:29|
CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O |r,t:23,THB:17:19:27.28:30,20:19:27.28:30,23:22:27.28:30|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)F)cn2)ccc1F |r,c:4|
C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC=C)cn2)ccc1F |r,t:2,THB:14:1:8.9:11,0:1:8.9:11,4:3:8.9:11|
C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3COC3)cn2)ccc1F |r,t:2,THB:0:1:8.9:11,14:1:8.9:11,4:3:8.9:11|
CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3ccc(cn3)C#N)ccc2F)C2(CC2)S1(=O)=O |r,c:3|
C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)C#C |r,t:23,THB:20:19:27.28:30,23:22:27.28:30,17:19:27.28:30|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)ccc1F |r,c:4|
COCCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O |r,t:25,THB:22:21:29.30:32,25:24:29.30:32,19:21:29.30:32|
COC[C@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O |r,t:26,THB:23:22:30.31:33,26:25:30.31:33,20:22:30.31:33|
C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CCC3)cn2)ccc1F |r,t:2,THB:0:1:8.9:11,14:1:8.9:11,4:3:8.9:11|
C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCCF)cn2)ccc1F |r,t:2,THB:0:1:8.9:11,4:3:8.9:11,14:1:8.9:11|
C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)F)cn2)ccc1F |r,t:2,THB:0:1:8.9:11,4:3:8.9:11,14:1:8.9:11|
CCCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O |r,t:24,THB:18:20:28.29:31,24:23:28.29:31,21:20:28.29:31|
COC(C)COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O |r,t:26,THB:20:22:30.31:33,26:25:30.31:33,23:22:30.31:33|
CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O |r,t:25,THB:19:21:29.30:32,25:24:29.30:32,22:21:29.30:32|
CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(OCC#C)cn3)ccc2F)C2(CC2)S1(=O)=O |r,c:3|
CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C2(CC2)S1(=O)=O |r,c:3|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CC3)cn2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCCC(F)(F)F)cn2)ccc1F |r,c:4|
CC1(C)C(NC(=O)OCC2CCCC2)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CCCC3)cn2)ccc1F |r,c:14|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CCCC3)cn2)ccc1F |r,c:4|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC(F)(F)C(F)F)cn2)ccc1F |r,c:3|
C[C@]1(CS(=O)(=O)C2(CCC2)C(N)=N1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:12|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3CCCCC3)cn2)ccc1F |r,c:4|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Cl)cn2)cc(F)c1F |r,c:3|
CC(C)(COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#N |r,c:33|
CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:33|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCCn3ccnc3)cn2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCCn3cc(Br)cn3)cn2)ccc1F |r,c:4|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)cc(F)c1F |r,c:3|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |r,c:4|
C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#C |r,c:31|
CC#CCOc1cnc(cn1)C(\F)=C\c1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 |r,c:33|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncco3)cn2)cc(F)c1F |r,c:3|
C[C@H](Oc1cnc(cn1)C(\F)=C\c1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1)C#C |r,c:31|
CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 |r,c:32|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |r,c:4|
COC(C)COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:34|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nnc(C)o3)cn2)ccc1F |r,c:3|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(CC3CCC3)cn2)ccc1F |r,c:4|
Cc1noc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)n1 |r,c:35|
Cc1nnc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@]2(C)CS(=O)(=O)C(C)(C)C(N)=N2)o1 |r,c:35|
CC[C@@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#C |r,c:32|
CC[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#C |r,c:32|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC3COC3)cn2)ccc1F |r,c:3|
CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3ccc(cn3)C#N)ccc2F)C(C)(C)S1(=O)=O |r,c:3|
CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(cn3)C#N)ccc2F)C(C)(C)S1(=O)=O |r,c:3|
CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C(C)(C)S1(=O)=O |r,c:3|
CN1C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(OCC#C)cn3)ccc2F)C(C)(C)S1(=O)=O |r,c:3|
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=N[C@@](C)(CS(=O)(=O)C1(C)C)c1cc(ccc1F)B1OC(C)(C)C(C)(C)O1 |r,t:15|
CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)N(C)S(=O)(=O)C1(C)C |r,t:25|
C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@@]1(C)N=C(N)N(C)S(=O)(=O)C1(C)C)C#C |r,t:23|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3OCCOc3cn2)ccc1F |r,c:3|
CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](CF)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(Cl)cn3)ccc2F)C(F)(F)S1(=O)=O |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)cc(F)c1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)cc(F)c1F |r,c:4|
CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:34|
C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C(C)(C)C(N)=N1)C#C |r,c:32|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc3OCCOc3c2)ccc1F |r,c:3|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)cnc1F |r,c:4|
CC[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#CC |r,c:32|
CC[C@@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#CC |r,c:32|
CC1(C)C(N)=N[C@@](C)([C@H](F)S1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)([C@@H](F)S1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@](C)(c2cc(\C=C(/F)c3cnc(OCC#C)cn3)ccc2F)C(F)(F)S1(=O)=O |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Cl)cn2)cnc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cc(F)c1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)cnc1F |r,c:4|
CC#C[C@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:34|
CC#C[C@@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:34|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ccccc3)cn2)cnc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ccncc3)cn2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(Oc3ccccc3)cn2)ccc1F |r,c:4|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cc2)C#N)ccc1F |r,c:3|
CC1(C)C(N)=N[C@@](C)([C@H](F)S1(=O)=O)c1cc(\C=C(/F)c2cc3OCCOc3cn2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)([C@@H](F)S1(=O)=O)c1cc(\C=C(/F)c2cc3OCCOc3cn2)ccc1F |r,c:4|
CC1(C)C(N)=N[C@](C)(c2cc(\C=C(/F)c3cc4OCCOc4cn3)ccc2F)C(F)(F)S1(=O)=O |r,c:4|
CCC#C[C@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:35|
CCC#C[C@@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:35|
C[C@H](O)COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:33|
C[C@@H](O)COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:33|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3cscn3)cn2)cc(F)c1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3cc(C)no3)cn2)cc(F)c1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc(=O)c(Cl)c[nH]2)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3cc(C)on3)cn2)cc(F)c1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nc(C)no3)cn2)cc(F)c1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3cocn3)cn2)cc(F)c1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc(F)c(cn2)C#N)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC=C)cn2)cc(F)c1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncccn3)cn2)cc(F)c1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3noc(C)n3)cn2)cc(F)c1F |r,c:3|
COc1cc(ncc1Cl)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 |r,c:30|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc(C#N)c(Cl)cn2)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc(F)c(Cl)cn2)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nnc(C)o3)cn2)cc(F)c1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc3OCCOc3n2)ccc1F |r,c:3|
C[C@@H]1COc2nc(ncc2O1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 |r,c:33|
C[C@H]1COc2cnc(nc2O1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 |r,c:33|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nc(C)cs3)cn2)cc(F)c1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nc(C)oc3C)cn2)cc(F)c1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3CCCOc3cn2)ccc1F |r,c:3|
CN1C(=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(F)cn2)ccc1F)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |r,c:2|
COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 |r,c:29|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,c:3|
CCOC(=O)COc1cnc(cn1)C(\F)=C\c1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 |r,c:35|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C(F)(F)F)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2C)C#N)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3ncc(C)o3)cn2)cc(F)c1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(Br)cn2)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(cn2)C#CC2CC2)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCc3nccn3C)cn2)cc(F)c1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3nccnc3cn2)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#CCO)cn2)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(s2)C#N)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(OCC#CCF)cn2)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc3OCCOc3n2)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(s2)C#N)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3OCOc3cn2)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(OC(F)(F)F)cn2)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3ccccc3cn2)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cc3cc(Cl)ccc3cn2)ccc1F |r,c:3|
CC1(C)C(N)=N[C@]2(CO[C@H]2S1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(F)cn2)ccc1F |r,c:4|
COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1 |r,c:30|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,c:4|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C(F)(F)F)ccc1F |r,c:4|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2cnc(cn2)C2CC2)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2nc(cs2)C#N)ccc1F |r,c:3|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C#N)ccc1F |r,c:4|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C#N)ccc1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(F)cn2)ccc1F |r,c:3|
COc1cnc(cn1)C(\F)=C\c1cc(F)c(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 |r,c:30|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C(F)(F)F)cc(F)c1F |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ccc(cn2)C(F)(F)F)cc(F)c1F |r,c:3|
Cc1cc(cnc1\C(F)=C\c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(N)=N1)C#N |r,c:29|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C(/F)c2ncc(cc2Cl)C#N)cc(F)c1F |r,c:3|
C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(/F)C2CCOC2)ccc1F |r,t:2,THB:14:1:8.9:11,4:3:8.9:11,0:1:8.9:11|
C[C@@]1(N=C(N)[C@@]2(CF)CC[C@@H]1S2(=O)=O)c1cc(\C=C(\F)C2CCCO2)ccc1F |r,t:2,THB:14:1:8.9:11,4:3:8.9:11,0:1:8.9:11|
CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(\C=C\c2ccc(Cl)cc2)ccc1F |r,c:4|
CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cc(F)cc(F)c1 |c:3|
CN1C(N)=NC(C1=O)(c1cccc(F)c1)c1ccc(OC(F)F)c(C)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cc(C)cc(F)c1 |c:3|
CN1C(N)=NC(C1=O)(c1cccc(Cl)c1)c1ccc(OC(F)F)c(C)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cc(F)cc(Cl)c1 |c:3|
CN1C(N)=NC(C1=O)(c1cccc(C)c1)c1ccc(OC(F)F)c(C)c1 |c:3|
CN1C(N)=NC(C1=O)(c1cccc(c1)C(F)(F)F)c1ccc(OC(F)F)c(C)c1 |c:3|
CN1C(N)=NC(C1=O)(c1cnn(C)c1)c1ccc(OC(F)F)c(C)c1 |c:3|
CC(F)Oc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(F)c1 |t:13|
CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cccc(c1)-c1cccnc1 |c:3|
CN1C(N)=NC(C1=O)(c1cncnc1)c1ccc(OC(F)F)c(C)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cncc(F)c1 |c:3|
CN1C(N)=NC(C1=O)(c1cocn1)c1ccc(OC(F)F)c(C)c1 |c:3|
Cc1cc(ccc1OC(F)F)C1(N=C2NCCC(N2C1=O)c1ccccc1)c1cccc(F)c1 |t:13|
COCc1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)I)c(C)c1 |t:11|
CN1C(N)=NC(C1=O)(c1ccnc(F)c1)c1ccc(OC(F)F)c(C)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccnc(C)c1)c1ccc(OC(F)F)c(C)c1 |c:3|
COc1cc(ccn1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |t:10|
COCc1cc(ccn1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |t:11|
CN1C(N)=NC(C2CCCCC2)(C1=O)c1ccc(OC(F)F)c(C)c1 |c:3|
CNCc1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |t:11|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cc(F)cc(F)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)cc1)c1cc(F)cc(F)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cc(N)cc(F)c1 |c:3|
CN1C(N)=NC(C1=O)(c1cccc(OC(F)F)c1)c1cc(F)cc(F)c1 |c:3|
CN1C(N)=NC(C1=O)(c1cc(C)cc(C)c1)c1cc(F)cc(F)c1 |c:3|
COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(F)cc(F)c1 |t:11|
COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(F)cc1F |t:11|
COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cc(C)c(F)cc1F |t:11|
CN1C(N)=NC(C1=O)(c1ccc(F)c(C)c1)c1cc(F)cc(F)c1 |c:3|
COc1ccc(cn1)C1(N=C(N)N(C)C1=O)c1cc(F)cc(F)c1 |t:10|
COc1ccc(cc1F)C1(N=C(N)N(C)C1=O)c1cc(F)cc(F)c1 |t:11|
CN1C(N)=NC(C1=O)(c1ccc(F)c(F)c1)c1cc(F)cc(F)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccnc(F)c1)c1cc(F)cc(F)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1ccc(OC(F)F)c(C)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cc(F)c(F)c(F)c1 |c:3|
CC(C)c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |t:11|
Cc1cc(ccc1OC(F)F)C1(N=C(N)N(Cc2ccccc2)C1=O)c1cccc(F)c1 |t:13|
CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cnco1)c1ccc(OC(F)F)c(C)c1 |c:3|
COCc1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |t:11|
CN1C(N)=[NH+]C(C1=O)(c1ccnc(F)c1)c1ccc(OC(F)F)c(C)c1 |c:3|
CN1C(N)=[NH+]C(C1=O)(c1ccnc(C)c1)c1ccc(OC(F)F)c(C)c1 |c:3|
COc1cc(ccn1)C1([NH+]=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |t:10|
COCc1cc(ccn1)C1([NH+]=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |t:11|
CC#Cc1cc(ccn1)C1([NH+]=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |t:11|
C[NH2+]Cc1cccc(c1)C1([NH+]=C(N)N(C)C1=O)c1ccc(OC(F)CF)c(C)c1 |t:11|
CNCCc1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |t:12|
CN1C(N)=[NH+]C(C1=O)(c1cccc(c1)C1C[NH2+]C1)c1ccc(OC(F)CF)c(C)c1 |c:3|
CN1C(N)=[NH+]C(C1=O)(c1cccc(c1)-c1cncnc1)c1ccc(OC(F)F)c(C)c1 |c:3|
CN1C(N)=[NH+]C(C1=O)(c1cccc(c1)-c1cncc(F)c1)c1ccc(OC(F)F)c(C)c1 |c:3|
CN1C(N)=[NH+]C(C2CC[NH+](C)CC2)(C1=O)c1ccc(OC(F)CF)c(C)c1 |c:3,(-5.84,3.4,;-4.84,2.23,;-5.2,.73,;-6.62,.14,;-3.88,-.07,;-2.71,.93,;-1.7,-.4,;-2.26,-1.84,;-1.3,-3.04,;.22,-2.81,;1.18,-4.01,;.78,-1.37,;-.18,-.17,;-3.31,2.35,;-2.5,3.67,;-1.38,1.7,;-1.38,3.24,;-.05,4.01,;1.29,3.24,;2.62,4.01,;3.95,3.24,;3.95,1.7,;5.29,4.01,;6.62,3.24,;1.29,1.7,;2.62,.93,;-.05,.93,)|
CCCC1CC(CC[NH+]1C)C1([NH+]=C(N)N(C)C1=O)C1=CC(C)=C(OC(F)F)C(C)C1 |t:12,20,23|
CN1C(N)=[NH+]C(C1=O)(c1cccc(c1)-c1ccccc1)c1ccc(OC(F)F)c(C)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cncnc1 |c:3|
CN1C(N)=[NH+]C(C1=O)(c1ccncc1)c1ccc(OC(F)F)c(C)c1 |c:3|
CN1C(N)=[NH+]C(C2CC[NH2+]CC2)(C1=O)c1ccc(OC(F)F)c(C)c1 |c:3|
CCCc1cc(ccn1)C1([NH+]=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |t:11|
CCCC1CC(CC[NH2+]1)C1([NH+]=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |t:11|
CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCN(C(=O)c2cc(cc(c2)OCC)C(=O)N1)CC)C)O
C[C@@H]1CCCCCCOCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNC2(CC2)c3cccc(c3)C(C)(C)C)O)C)C
CCCc1cc(n[nH]1)CNC[C@H]([C@@H]2C[C@@H](CCCCCCOCC(=O)N([C@H](C(=O)N2)C)C)C)O
CCN1CCCCC[C@H](C[C@H](NC(=O)c2cccc(c2)C1=O)[C@@H](CNCc3cccc(c3)C(C)C)O)C
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCN([C@H](C)c3ccccc3)C(=O)c3cc(cc(c3)C(=O)N2)-c2ncco2)c1
C[C@@H]1CCOCCCCNc2cc(cc(n2)Cl)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O
C[C@@H]1CCCCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC
C[C@@H]1CCOCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC
C[C@H]1C(=O)N[C@@H](Cc2cccc(c2)OCCCCCC(=O)N1C)[C@@H](CNCc3cccc(c3)C(C)C)O
CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)CCCCNc4cc(cc(n4)OC)C(=O)N2)O
COCc1cc2cc(c1)NCCCCOc3cccc(c3)C[C@H](NC2=O)[C@@H]([C@H]4CO[C@H](CN4)COC)O
CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)C)C(=O)N3)O
CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)C(=O)N2)COC)O
CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)OCC(=O)C)C(=O)N2)O
CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCc2cccc(c2)CS(=O)(=O)C[C@H](C(=O)N1)C)C)O
CCCCNc1cc(cc(n1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)NCCCC)O
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CC\C=C\CCCCC(=O)N(C)[C@@H](C)C(=O)N2)c1 |t:19|
C[C@H](NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1)c1cccc(Br)c1
C[C@@H]1CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNC1(CC1)c1cc(ccn1)C(C)(C)C
CCOc1ccc(c(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N2)c1)C(F)(F)F
CC(C)Cc1cncc(CNC[C@@H](O)[C@@H]2C[C@H](C)CC\C=C\CCCCC(=O)N(C)[C@@H](C)C(=O)N2)c1 |t:20|
CC(C)Cc1cncc(c1)C(C)(C)NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1
C[C@@H]1CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNC(C)(C)c1cc(CC(C)(C)C)on1
C[C@@H]1CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNC(C)(C)c1cccc(Br)c1
C[C@@H]1CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNCc1cc(CC(C)(C)C)on1
C[C@H](NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1)c1cc(CC(C)(C)C)on1
C[C@@H]1CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNC(C)(C)c1nnc(CC(C)(C)C)s1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCCC(=O)N(C)CC(=O)N2)c1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCC[C@H](C)CCC(=O)N(C)[C@@H](C)C(=O)N2)c1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCOCC(=O)N(C)[C@@H](C)C(=O)N2)c1
C[C@@H]1CCCCCCOCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNCc1cncc(Br)c1
CC(C)Oc1ccc(cc1CNC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCOCC(=O)N(C)[C@@H](C)C(=O)N1)C1CC1
C[C@@H]1CCCCCCNC(=O)C[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNCc1cccc(c1)C(C)(C)C
C[C@@H]1CCCCCCCCS(=O)(=O)C[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C
C[C@H](NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCCS(=O)(=O)C[C@@H](C)C(=O)N1)c1cc(CC(C)(C)C)on1
CCN1CCCCC[C@@H](C)C[C@H](NC(=O)c2cc(cc(c2)C1=O)-c1ncco1)[C@H](O)CNCc1cccc(c1)C(C)C
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCNc3cc(cc(C)n3)C(=O)N2)c1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCN(C)c3cc(ccn3)C(=O)N2)c1
COc1cc2cc(NCCCCCCC[C@@H](C)C[C@H](NC2=O)[C@H](O)CNCc2cccc(c2)C(C)C)n1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCN(C)c3cc(cc(C)n3)C(=O)N2)c1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C\C(C)=C\CCCCCCNc3cc(cc(C)n3)C(=O)N2)c1 |t:16|
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)C\C=C/CCCCNc3cc(cc(Cl)n3)C(=O)N2)c1 |c:18|
COCc1cc2cc(NCCCCOCC[C@@H](C)C[C@H](NC2=O)[C@H](O)CNC2(CC2)c2cccc(c2)C(C)(C)C)n1
C[C@@H]1CCOCCCCNc2cc(cc(C)n2)C(=O)N[C@@H](C1)[C@H](O)CNC(C)(C)c1cc(CC(C)(C)C)on1
CC(C)c1cccc(CNC[C@@H](O)[C@H]2NC(=O)c3cc(Cl)nc(NCCCCOCC\C(C)=C\2)c3)c1 |t:32|
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCN(Nc3cc(cc(C)n3)C(=O)N2)C(=O)c2ccc(F)cc2)c1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCOc3cc(cc(Cl)n3)C(=O)N2)c1
CC(C)c1ccnc(c1)C1(CC1)NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCOc2cc(cc(Cl)n2)C(=O)N1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCCc3cc(ccn3)C(=O)N2)c1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCOCCCOc3cc(cc(C)n3)C(=O)N2)c1
CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCNc2cccc(c2)C(=O)N1
C[C@@H]1CCCCCCCNc2cccc(c2)C(=O)N[C@@H](C1)[C@H](O)CNC1(COC1)c1cccc(c1)C(C)(C)C
C[C@@H]1CCCCCCCNc2cccc(c2)C(=O)N[C@@H](C1)[C@H](O)CNC(C)(C)c1cc(CC(C)(C)C)on1
C[C@@H]1CCCCCCCNc2cccc(c2)C(=O)N[C@@H](C1)[C@H](O)CNCc1cc([nH]n1)C(C)(C)C
C[C@@H]1CCCCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@H](O)CNC1(CC1)c1cc(ccn1)C(C)(C)C)-c1ncco1
COCc1cc2NCCCCCCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(COC1)c1cccc(c1)C(C)(C)C
COCc1cc2NCCCCCCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cc(OC)cc(OC)c1
COCc1cc2NCCCCCCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1ccc2OCCCOc2c1
COCc1cc2NCCCCCCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(cc12)C(C)C
CCCc1cc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCNc3cc(COC)cc(c3)C(=O)N2)no1
COCc1cc2NCCCCCCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCCc1ccncc1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CC\C=C\CCCNc3cc(CO)cc(c3)C(=O)N2)c1 |t:19|
C[C@@H]1CC\C=C\CCCNc2cc(CO)cc(c2)C(=O)N[C@@H](C1)[C@H](O)CNCc1cc(CC(C)(C)C)on1 |t:4|
C[C@@H]1CCCCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C)C(=O)N(C)C
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCN(c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)S(C)(=O)=O)c1
CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCNc2cccc(n2)C(=O)N1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@@H]3CC[C@@H](C3)CCCCCNc3cc(cc(c3)C(F)(F)F)C(=O)N2)c1
CCOc1ccc(c(CNC[C@@H](O)[C@@H]2C[C@H](C)CCOCCCCNc3cccc(c3)C(=O)N2)c1)C(F)(F)F
CCOc1cc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCOCCCCNc3cccc(c3)C(=O)N2)cc(c1)C(F)(F)F
C[C@@H]1CCOCCCCNc2cc(ccc2Cl)C(=O)N[C@@H](C1)[C@H](O)CNCc1cc(ccn1)C(C)(C)C
COCc1cc2NC\C=C/COCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C |c:8|
COCc1cc2NCCCCOCC[C@@H](C)C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cc(ccc1F)C(F)(F)F
COCc1cc2NCCCCOC\C=C(C)\C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C |c:13|
C[C@@H]1CCCCCCCOc2cccc(c2)C(=O)N[C@@H](C1)[C@H](O)CNCc1cncc(CC(C)(C)C)c1
C[C@H](NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCOc2cccc(c2)C(=O)N1)c1cc(CC(C)(C)C)on1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCOc3cc(cc(c3)C(=O)N2)-c2ncco2)c1
C[C@@H]1CCCCCCCOc2cc(cc(c2)C(=O)N[C@@H](C1)[C@H](O)CNC1(CC1)c1cc(ccn1)C(C)(C)C)-c1ncco1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCOc3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1
C[C@@H]1CCCCCCCOc2cc(cc(c2)C(=O)N[C@@H](C1)[C@H](O)CNC1(CC1)c1cc(ccn1)C(C)(C)C)C(=O)N(C)C
C[C@@H]1CCCCCCCOc2cc(ccn2)C(=O)N[C@@H](C1)[C@H](O)CNC(C)(C)c1cc(CC(C)(C)C)on1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCCC(=O)N3CCCC[C@H]3C(=O)N2)c1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCC[C@@]3(O)CCC[C@H](C3)C(=O)N2)c1
C[C@@H]1N(C)C(=O)CCCCCCc2cccc(C[C@H](NC1=O)[C@H](O)CNCc1cncc(c1)C1CC1)c2
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3ccc(O)c(Cc4ccccc4OCC(=O)N[C@@H](C)C(=O)N2)c3)c1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCO[C@H]4CCN(CC(=O)N2)C4=O)c3)c1
C[C@@H]1N(C)C(=O)CCCCCOc2cccc(C[C@H](NC1=O)[C@H](O)CNC1(CC1)c1cccc(Br)c1)c2
CC(C)c1ccc2OC(C)(C)C[C@H](NC[C@@H](O)[C@@H]3Cc4cccc(OCCCCCC(=O)N(C)[C@@H](C)C(=O)N3)c4)c2c1
C[C@@H]1CC(=O)NCCCCOc2cccc(C[C@H](NC1=O)[C@H](O)CNCc1cccc(c1)C(C)(C)C)c2
C[C@@H]1CC(=O)NCCCCOc2cccc(C[C@H](NC1=O)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C)c2
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCS(=O)(=O)C[C@@H](C)C(=O)N2)c3)c1
C[C@@H]1CS(=O)(=O)CCCCOc2cccc(C[C@H](NC1=O)[C@H](O)CNC1(CC1)c1cccc(Br)c1)c2
CC(C)(C)Cc1cc(no1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cc(Cl)cc(c3)C(=O)N1)c2
Cc1cc2cc(NCCCCc3cccc(C[C@H](NC2=O)[C@H](O)CNCc2cc(ccn2)C(C)(C)C)c3)n1
CC(C)c1ccnc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(CCCCNc3cc(cc(Cl)n3)C(=O)N1)c2
COc1cc2cc(n1)N(C)CCCCc1cccc(C[C@H](NC2=O)[C@H](O)CNCc2cccc(c2)C(C)C)c1
COc1ccc2C[C@H](NC(=O)c3cc(Cl)nc(NCCCCOc1c2)c3)[C@H](O)CNCc1cccc(c1)C(C)C
CC(C)c1ccnc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCN(C(C)=O)c4cc(cc(C)n4)C(=O)N2)c3)c1
Cc1cc2cc(NC\C=C/COc3cc(C[C@H](NC2=O)[C@H](O)CNC2(CC2)c2cccc(c2)C(C)(C)C)ccc3F)n1 |c:8|
CC(C)(C)c1ccnc(CNC[C@@H](O)[C@@H]2Cc3cccc(OC\C=C/CNc4cc(cc(Cl)n4)C(=O)N2)c3)c1 |c:23|
NC[C@@H](O)[C@@H]1Cc2cccc(OC\C=C/CNc3cc(cc(Cl)n3)C(=O)N1)c2 |c:13|
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cc(C)cc(OCCCCNc4cc(cc(Cl)n4)C(=O)N2)c3)c1
CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(CCCCOc3cc(cc(C)n3)C(=O)N1)c2
CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cc(Cl)c(O)c(CCCCOc3cc(cc(C)n3)C(=O)N1)c2
Cc1cc2cc(OCCCCc3cc(C[C@H](NC2=O)[C@H](O)CNC(C)(C)c2cc(CC(C)(C)C)on2)cc(Cl)c3O)n1
CC(C)(C)Cc1cc(no1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cncc(c3)C(=O)N1)c2
Cc1cc2cc(OCCCCOc3cccc(C[C@H](NC2=O)[C@H](O)CNC(C)(C)c2cc(sn2)C(C)(C)C)c3)n1
CC(C)c1ccc2OC(C)(C)C[C@H](NC[C@@H](O)[C@@H]3Cc4cccc(OCCCCOc5cc(cc(C)n5)C(=O)N3)c4)c2c1
CC(C)c1cccc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(OCc3ccccc3COc3cc(cc(C)n3)C(=O)N1)c2
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(CCCCCc4cc(cc(C)n4)C(=O)N2)c3)c1
CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCNc3cncc(c3)C(=O)N1)c2
CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(CCCCNc3cccc(c3)C(=O)N1)c2
CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cc(F)c(N)c(CCCCNc3cccc(c3)C(=O)N1)c2
COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC(C)(C)c1cc(CC(C)(C)C)on1)c3
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(CCCCN(C)c4cccc(c4)C(=O)N2)c3)c1
CC(C)(C)c1ccnc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(CCCCNc3cc(cc(c3)C(=O)N1)-c1ncco1)c2
CC(C)(NC[C@@H](O)[C@@H]1Cc2cccc(CCCCNc3cncc(c3)C(=O)N1)c2)c1cccc(Br)c1
CC(C)(NC[C@@H](O)[C@@H]1Cc2cccc(CCCCNc3cc(c[n+](Cc4ccccc4)c3)C(=O)N1)c2)c1cccc(Br)c1
CC(C)c1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCNc3cccc(n3)C(=O)N1)c2
CC(C)Cc1cncc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCNc3cccc(c3)C(=O)N1)c2
COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC(C)(C)c1cc(ccn1)C(C)(C)C)c3
C[C@H](NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cncc(c3)C(=O)N1)c2)c1cc(CC(C)(C)C)on1
COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CN)c3
COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cnn(CC(C)C)c1)c3
COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(cc12)C(C)C)c3
COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cc(CC(C)(C)C)on1)c3
COc1ccc2C[C@H](NC(=O)c3cc(CO)cc(NCCCCOc1c2)c3)[C@H](O)CNCc1cccc(c1)C(C)C
CN(C)C(=O)c1cc2NC\C=C/COc3cc(C[C@H](NC(=O)c(c2)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C)ccc3F |c:10|
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(CCCCOc4cc(cc(c4)C(=O)N2)-c2ncco2)c3)c1
CC(=O)COc1cc2OCCCCc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CC1)c1cc(ccn1)C(C)(C)C)c3
COC(=O)c1cc2OCCCCc3cccc(C[C@H](NC(=O)c(c2)c1)[C@H](O)CNCc1cccc(c1)C(C)C)c3
CC(=O)COc1cc2OCCCCc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cc(ccn1)C(C)(C)C)c3
CC(C)c1ccnc(CNC[C@@H](O)[C@@H]2Cc3cccc(CCCCOc4cc(cc(c4)C(=O)N2)N2CCCC2=O)c3)c1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(CCCCOc4cncc(c4)C(=O)N2)c3)c1
CC(C)(NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cncc(c3)C(=O)N1)c2)c1cccc(Br)c1
CC(C)c1ccnc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCOc4cccc(c4)C(=O)N2C)c3)c1
COCc1cc2OCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C)c3
CCc1cc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCOc4cc(cc(c4)C(=O)N2)C(=O)N(C)C)c3)ncn1
COc1cc2NCCCCCCC[C@@H](C)C[C@@H]3N=C(O[C@H]3CO)c(c2)c1 |c:17|
C[C@@H]1CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](C1)[C@H](O)CO
COCc1cc2NCCCCOc3cccc(C[C@H](N)[C@H](CNC4(CC4)c4cccc(c4)C(C)C)OC(=O)c(c1)c2)c3
CCCNc1cc(COC)cc(c1)C(=O)N[C@@H](Cc1cccc(OC)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C
CCCNc1cc(COC)cc(c1)C(=O)N[C@@H](Cc1cccc(OC)c1)[C@H](O)CNCc1cccc(c1)C(C)C
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCC[C@H](C)CCC(=O)N[C@@H](C)C(=O)N1
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCC[C@H](C)CCC(=O)N(C)[C@@H](C)C(=O)N1
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCC[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](C)C(=O)N1
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCS(=O)(=O)C[C@@H](C)C(=O)N1
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCNc2cc(cc(OC)n2)C(=O)N1
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1Cc2cccc(OCCCCCC(=O)N[C@@H](C)C(=O)N1)c2
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1Cc2cccc(CCCCCNc3cc(cc(OC)n3)C(=O)N1)c2
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1Cc2cccc(CCCCNc3cc(cc(C)n3)C(=O)N1)c2
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1Cc2cccc(OCCCCS(=O)(=O)C[C@@H](C)C(=O)N1)c2
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1Cc2ccc(O)c(Cc3ccccc3OCC(=O)N[C@@H](C)C(=O)N1)c2
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1Cc2ccc(O)c(Cc3ccccc3OCCCCC(=O)N1)c2
NC1=N[C@@]2(CN(C[C@@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |r,t:1|
[H][C@@]12CN(C[C@@]1(N=C(N)SC2)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F)c1ncc(F)cn1 |r,t:7|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:1|
NC1=N[C@@]2(CN(C[C@@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:1|
NC1=N[C@@]2(COC[C@@H]2CS1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@]2(COC[C@H]2CS1)c1cc(\C=C(/F)c2ccc(Cl)cn2)ccc1F |r,t:1|
[H][C@]12COC[C@]1(N=C(N)SC2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:7|
[H][C@@]12COC[C@@]1(N=C(N)SC2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:7|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2cnc(Cl)cn2)ccc1F |r,t:1|
NC1=N[C@@]2(CN(C[C@@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,t:1|
Cc1noc(COc2cnc(cn2)C(\F)=C\c2ccc(F)c(c2)[C@@]23CN(C[C@@H]2CSC(N)=N3)c2ncc(F)cn2)n1 |r,c:34|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |r,t:1|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2cnc(OCC(F)(F)CF)cn2)ccc1F |r,t:1|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncc(F)cn1)c1cc(\C=C(/F)c2cnc(OCC(F)F)cn2)ccc1F |r,t:1|
COC[C@H](C)Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]12CN(C[C@H]1CSC(N)=N2)c1ncc(F)cn1 |r,c:33|
C[C@H](Oc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]12CN(C[C@H]1CSC(N)=N2)c1ncc(F)cn1)C#C |r,c:30|
[H][C@@]12CN(C[C@@]1(N=C(N)SC2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F)C(=O)OC(C)(C)C |r,t:7|
CC#CCOc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]12CN(C[C@H]1CSC(NC(=O)c1ccccc1)=N2)c1ncc(F)cn1 |r,c:41|
[H][C@@]12CN(C[C@@]1(N=C(N)SC2)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F)C(C)=O |r,t:7|
NC1=N[C@]2(CN(C[C@H]2CS1)C(=O)CC(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,t:1|
NC1=N[C@]2(CN(C[C@H]2CS1)c1ncccn1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,t:1|
COC(=O)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:10|
CCC(=O)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:10|
CCOC(=O)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:11|
CC(C)OC(=O)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:12|
NC1=N[C@@]2(CO[C@H]([C@@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:1|
NC1=N[C@]2(CO[C@@H]([C@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:1|
NC1=N[C@]2(CO[C@@H]([C@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,t:1|
NC1=N[C@]2(CO[C@@H]([C@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |r,t:1|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H]2C(F)(F)F)c1cc(\C=C(/F)c2ccc(OC(F)(F)F)cn2)ccc1F |r,c:5|
[H][C@@]12CN(C[C@@]1(N=C(N)SC2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F)c1nc(C)c(F)c(OC)n1 |r,t:7|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H]2CF)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,c:5|
NC1=N[C@]2(CO[C@@H]([C@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(F)cn2)ccc1F |r,t:1|
[H][C@@]12CSC(N)=N[C@@]1(CO[C@H]2CF)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,c:5|
COc1nc(ncc1F)N1C[C@H]2CSC(N)=N[C@]2(C1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,c:16|
[H][C@@]12CN(C[C@@]1(N=C(N)SC2)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F)c1ncccn1 |r,t:7|
COc1cnc(cn1)C(\F)=C\c1ccc(F)c(c1)[C@]12CO[C@@H]([C@H]1CSC(N)=N2)C(F)(F)F |r,c:29|
NC1=N[C@]2(CO[C@@H]([C@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:1|
Cc1cc(cnc1\C(F)=C\c1ccc(F)c(c1)[C@]12CO[C@@H]([C@H]1CSC(N)=N2)C(F)(F)F)C#N |r,c:28|
NC1=N[C@]2(CO[C@@H]([C@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C(F)(F)F)ccc1F |r,t:1|
NC1=N[C@]2(CO[C@@H]([C@H]2CS1)C(F)(F)F)c1cc(\C=C(/F)c2ncc(cc2Cl)C#N)ccc1F |r,t:1|
[H][C@]12COC(N)=N[C@]1(CO[C@@H]2C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,c:5|
NC1=N[C@]2(CO[C@@H]([C@H]2CO1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:1|
NC1=N[C@@]2(CO[C@H]([C@@H]2CO1)C(F)(F)F)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:1|
NC1=N[C@]2(CO[C@H](C(F)F)[C@H]2CS1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:1|
NC1=N[C@@]2(CO[C@@H](C(F)F)[C@@H]2CS1)c1cc(\C=C(/F)c2ccc(cn2)C#N)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:1|
C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:6|
CC[C@@H]1OCC[C@H]2OC(N)=N[C@@](CF)([C@@H]12)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:9|
NC1=N[C@@](CF)([C@H]2[C@H](CF)OCC[C@H]2O1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:1|
C[C@@H]1OCC[C@H]2OC(N)=N[C@@](CF)([C@@H]12)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:8|
NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(cn2)-n2cncn2)ccc1F |r,t:1|
C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2cnc(cn2)-n2cncn2)ccc1F |r,c:6|
C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2cnc(OCF)cn2)cc(F)c1F |r,c:6|
C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1Cl |r,c:6|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2CCOC[C@H]12 |r,t:23|
COc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@@H](C)OC[C@H]12 |r,t:23|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@@H](C)OC[C@H]12 |r,t:23|
C[C@H]1COC[C@H]2[C@@H]1OC(N)=N[C@]2(CF)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:10|
C[C@@H]1COC[C@H]2[C@@H]1OC(N)=N[C@]2(CF)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:10|
NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(OC(F)F)cn2)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(OCC(F)F)cn2)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(OCC3(F)CC3)cn2)ccc1F |r,t:1|
C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:6|
C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2cnc(OC(F)F)cn2)ccc1F |r,c:6|
CC[C@@H]1OCC[C@H]2OC(N)=N[C@@](CF)([C@@H]12)c1cc(NC(=O)c2cnc(OC(F)F)cn2)ccc1F |r,c:9|
C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r,c:6|
C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2ncc(cc2C)C(F)(F)F)ccc1F |r,c:6|
C[C@@H]1C[C@H]2OC(N)=N[C@@](CF)([C@H]2CO1)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,c:6|
NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(cn2)C(F)(F)F)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,t:1|
NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r,t:1|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2CCOC[C@H]12)C(F)(F)F |r,t:22|
NC1=N[C@@](CF)([C@H]2COCC[C@H]2O1)c1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:1|
CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2CCOC[C@H]12 |r,t:24|
NC1=N[C@@](CF)([C@H]2COC3(CC3)C[C@H]2O1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:1|
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)[C@@H]2C[C@@H]2S1
N#Cc1ccc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)S[C@H]4C[C@H]43)c2)nc1
Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@@]2(CF)N=C(N)SC3C[C@H]32)c1
COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)S[C@H]4C[C@H]43)c2)cn1
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)cc(F)c2F)[C@@H]2C[C@@H]2S1
[H][C@]12C[C@@]1([H])[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,t:8|
COc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@H]4C[C@H]43)c2)cn1
Cc1cc(Cl)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(C)N=C(N)S[C@H]3C[C@H]32)c1
CCOC(=O)[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ccc(Cl)cn3)cc(F)c1F)N=C(N)S2
[H][C@@]12C[C@]1(CO)SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,c:9|
N#Cc1ccc(C(=O)Nc2cc(F)c(F)c([C@@]3(CF)N=C(N)S[C@H]4C[C@H]43)c2)nc1
[H][C@@]12C[C@]1(CF)SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,c:9|
Cc1cc(C#N)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(CF)N=C(N)S[C@H]3C[C@H]32)c1
C[C@]1(c2cc(NC(=O)c3ccc(C#N)cn3)cc(F)c2F)N=C(N)S[C@H]2C[C@H]21
Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(C)N=C(N)S[C@H]3C[C@H]32)c1
COc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(CF)N=C(N)S[C@H]4C[C@H]43)c2)cn1
COc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(CF)N=C(N)S[C@H]4C[C@H]43)c2)c(C)n1
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)cc(F)c2F)[C@@H]2C[C@@H]2S1
N#Cc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@H]4C[C@H]43)c2)c(C)c1
[H][C@]12C[C@@]1([H])[C@](CF)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |r,t:9|
C[C@]1(c2cc(Nc3nccc4cc(C#N)cnc34)cc(F)c2F)N=C(N)S[C@H]2C[C@H]21
NC1=N[C@](CF)(c2cc(Nc3ncnc4cc(Cl)cnc34)cc(F)c2F)[C@@H]2C[C@@H]2S1
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@H]4C[C@H]43)c2)cn1
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4cc(Cl)cnc34)cc(F)c1F)N=C(N)S2
CCOC(=O)[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4cc(Cl)cnc34)cc(F)c1F)N=C(N)S2
N#Cc1cnc2c(Nc3cc(F)c(F)c([C@@]4(CF)N=C(N)S[C@H]5C[C@H]54)c3)nccc2c1
N#Cc1cnc2c(Nc3cc(F)c(F)c([C@@]4(CF)N=C(N)S[C@@H]5C[C@@H]54)c3)nccc2c1
N#Cc1cnc2c(Nc3cc(F)c(F)c([C@@]4(CF)N=C(N)S[C@H]5C[C@H]54)c3)ncnc2c1
[H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,c:10|
C[C@]1(c2cc(Cc3nccc4cc(Cl)cnc34)cc(F)c2F)N=C(N)S[C@@]2(CO)C[C@H]21
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)cc(F)c2F)[C@@H]2C[C@]2(CO)S1
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@H]5C[C@H]54)c3)nccc2c1
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4cc(C#N)cnc34)cc(F)c1F)N=C(N)S2
C[C@]1(c2cc(Nc3ncnc4cc(Cl)cnc34)cc(F)c2F)N=C(N)S[C@H]2C[C@H]21
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncnc4cc(Cl)cnc34)cc(F)c1F)N=C(N)S2
C[C@]1(c2cc(Nc3ncnc4cc(C#N)cnc34)cc(F)c2F)N=C(N)S[C@H]2C[C@H]21
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)[C@@H]2C[C@]2(CO)S1
N#Cc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)S[C@H]5C[C@@H]54)c3)nccc2c1
NC1=N[C@](CF)(c2cc(Nc3ncnc4cc(Cl)cnc34)ccc2F)[C@H]2C[C@@H]2S1
[H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(CF)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:10|
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)[C@@H]2C[C@]2(CF)S1
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)[C@H]2C[C@@]2(CO)S1
COC[C@]12C[C@H]1[C@@](CF)(c1cc(NC(=O)c3ccc(Cl)cn3)cc(F)c1F)N=C(N)S2
Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@@]2(CF)N=C(N)S[C@@]3(CO)C[C@H]32)c1
NC1=N[C@](CF)(c2cc(Nc3nccc4cc(Cl)cnc34)ccc2F)[C@@H]2C[C@]2(CO)S1
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncnc4cc(C#N)cnc34)cc(F)c1F)N=C(N)S2
COC[C@]12C[C@H]1[C@@](CF)(c1cc(Nc3nccc4cc(C#N)cnc34)cc(F)c1F)N=C(N)S2
N#Cc1cnc2c(Nc3cc(F)c(F)c([C@@]4(CF)N=C(N)S[C@@]5(CO)C[C@H]54)c3)nccc2c1
NC1=N[C@](CF)(c2cc(Nc3ncnc4cc(Cl)cnc34)ccc2F)[C@@H]2C[C@]2(CO)S1
N#Cc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)S[C@@]5(CO)C[C@H]54)c3)nccc2c1
N#Cc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)S[C@H]5C[C@H]54)c3)ncnc2c1
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)S[C@@]5(CO)C[C@H]54)c3)nccc2c1
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)S[C@@]4(CO)C[C@H]43)c2)cn1
N#Cc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(CO)C[C@H]54)c3)nccc2c1
C[C@]1(c2cc(Nc3ncnc4cc(C#N)cnc34)cc(F)c2F)N=C(N)S[C@@]2(CO)C[C@H]21
NC1=N[C@](CF)(c2cc(Nc3nccc4nc(OCc5ncco5)cnc34)ccc2F)[C@H]2C[C@@H]2S1
N#Cc1cnc2c(Nc3cc(F)c(F)c([C@@]4(CF)N=C(N)S[C@]5(CO)C[C@@H]54)c3)nccc2c1
COc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(CO)C[C@H]54)c3)ncnc2c1
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)cc(F)c2F)[C@@H]2C[C@]2(CF)S1
N#Cc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(CF)C[C@H]54)c3)nccc2c1
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(CO)C[C@H]43)c2)cn1
COc1cnc2c(Nc3cc(F)c(F)c([C@@]4(CF)N=C(N)S[C@H]5C[C@H]54)c3)nccc2n1
CC(C)Oc1cnc2c(Nc3cc(F)c(F)c([C@@]4(CF)N=C(N)S[C@H]5C[C@H]54)c3)nccc2n1
COc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(C)S[C@@]5(CF)C[C@H]54)c3)ncnc2c1
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncnc4cc(OC)cnc34)cc(F)c1F)N=C(N)S2
COc1cnc2c(Nc3cc(F)c(F)c([C@@]4(CF)N=C(N)S[C@H]5C[C@H]54)c3)ncnc2c1
NC1=N[C@](CF)(c2cc(Nc3nncc4cc(Br)cnc34)ccc2F)[C@H]2C[C@@H]2S1
NC1=N[C@](CF)(c2cc(Nc3nncc4cc(Cl)cnc34)ccc2F)[C@H]2C[C@@H]2S1
C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)S[C@@H]2[C@H]1C2(F)F
Cc1cc(C#N)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(CF)N=C(N)S[C@@]3(CO)C[C@H]32)c1
C#CCOc1ccc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(CO)C[C@H]43)c2)nc1
C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4)OCC#C
COC[C@]12C[C@H]1[C@@](CF)(c1cc(Nc3ncnc4cc(Cl)cnc34)ccc1F)N=C(N)S2
[H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(OCC#C)cn2)cc(F)c1F |r,c:10|
COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)S[C@@]4(CO)C[C@H]43)c2)c(C)n1
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)S[C@@]4(CO)C[C@H]43)c2)c(C)n1
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@H]4C[C@H]43)c2)c(C)n1
Cc1cc(Cl)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(CF)N=C(N)S[C@H]3C[C@H]32)c1
Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1ccc(F)c([C@@]2(CF)N=C(N)S[C@@]3(CO)C[C@H]32)c1
N#Cc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)S[C@@]5(CO)C[C@H]54)c3)ncnc2c1
COc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(CF)N=C(N)S[C@H]4C[C@H]43)c2)c(C)c1
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(CO)C[C@H]54)c3)nccc2n1
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(CF)N=C(N)S[C@@]4(CO)C[C@H]43)c2)cn1
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(CF)N=C(N)S[C@H]4C[C@H]43)c2)c(C)n1
CC#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(CO)C[C@H]43)c2)c(C)c1
Cc1cc(OC(F)F)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(CF)N=C(N)S[C@H]3C[C@H]32)c1
NC1=N[C@](CF)(c2cc(Nc3nccc4nc(C(F)(F)F)cnc34)ccc2F)[C@H]2C[C@@H]2S1
COc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)S[C@H]5C[C@@H]54)c3)ncnc2c1
COc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(CO)C[C@H]54)c3)nccc2c1
COC[C@@]12C[C@@H]1[C@@](CF)(c1cc(Nc3nccc4cc(C#N)cnc34)cc(F)c1F)N=C(N)S2
COc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(CO)C[C@H]54)c3)ncc(F)c2c1
C[C@]1(c2cc(Nc3ncnc4cc(Cl)cnc34)cc(F)c2F)N=C(N)S[C@@]2(CO)C[C@H]21
COc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(CO)C[C@H]54)c3)nccc2n1
Cc1cc(C#N)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(CF)N=C(N)S[C@@]3(C(F)F)C[C@@H]23)c1
C[C@]1(c2cc(Nc3ncnc4cc(C#N)cnc34)cc(F)c2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
COC[C@@]12C[C@@H]1[C@@](CF)(c1cc(NC(=O)c3ccc(Cl)cn3)cc(F)c1F)N=C(N)S2
N#Cc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)S[C@@]5(CF)C[C@H]54)c3)ncnc2c1
C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)cnc2F)N=C(N)S[C@@]2(CF)C[C@H]21
COC(=O)[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ccc(Cl)cn3)cnc1F)N=C(N)S2
C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)cnc2F)N=C(N)S[C@@]2(CO)C[C@H]21
C[C@]1(c2cc(Nc3ncnc4cc(C#N)cnc34)ccc2F)N=C(N)S[C@@H]2[C@H]1C2(F)F
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@H]4[C@H]3C4(F)F)c2)c(C)n1
C#CCOc1cnc2c(Nc3cnc(F)c([C@@]4(C)N=C(N)S[C@@]5(CF)C[C@H]54)c3)nccc2n1
C[C@]1(c2cc(Nc3nccc4nc(OCc5ncco5)cnc34)cnc2F)N=C(N)S[C@@]2(CF)C[C@H]21
C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)cnc2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
C[C@]1(c2cc(Nc3nccc4cc(C#N)cnc34)cnc2F)N=C(N)S[C@@]2(CF)C[C@H]21
C[C@]1(c2cc(Nc3ncnc4cc(OCc5ncco5)cnc34)cnc2F)N=C(N)S[C@@]2(CF)C[C@H]21
C#CCOc1cnc(C(=O)Nc2cnc(F)c([C@@]3(C)N=C(N)S[C@@]4(CF)C[C@H]43)c2)cn1
C[C@]1(c2cc(NC(=O)c3cnc(OCc4ncco4)cn3)cnc2F)N=C(N)S[C@@]2(CF)C[C@H]21
C[C@]1(c2cc(Nc3ncnc4cc(OCc5ncco5)cnc34)cnc2F)N=C(N)S[C@@]2(CC#N)C[C@H]21
C[C@]1(c2cc(NC(=O)c3ccc(OCC(F)(F)C(F)F)cn3)cnc2F)N=C(N)S[C@@]2(CF)C[C@H]21
C[C@]1(c2cc(NC(=O)c3cnc(OCC(F)(F)C(F)F)cn3)cnc2F)N=C(N)S[C@@]2(CF)C[C@H]21
C#CCOc1cnc2c(Nc3cnc(OC)c([C@@]4(C)N=C(N)S[C@@]5(CF)C[C@H]54)c3)nccc2n1
C#CCOc1cnc(C(=O)Nc2cnc(OC)c([C@@]3(C)N=C(N)S[C@@]4(CF)C[C@H]43)c2)cn1
[2H]C([2H])([2H])C#CC([2H])([2H])Oc1cnc2c(Nc3cnc(F)c([C@@]4(C)N=C(N)S[C@@]5(CF)C[C@H]54)c3)nccc2n1
Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(C)N=C(N)S[C@@]3(CF)C[C@H]32)c1
Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(C)N=C(N)S[C@@]3(C(F)F)C[C@@H]23)c1
C#C[C@H](C)Oc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(CF)C[C@H]43)c2)c(C)n1
C#C[C@H](C)Oc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(C(F)F)C[C@@H]34)c2)c(C)n1
COC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ncc(OCC(F)(F)F)nc3C)cc(F)c1F)N=C(N)S2
C#C[C@H](C)Oc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(C(F)F)C[C@@H]34)c2)c(C)n1
COC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ncc(OCC(F)(F)F)nc3C)ccc1F)N=C(N)S2
C#C[C@H](C)Oc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(COC)C[C@H]43)c2)c(C)n1
C#C[C@H](C)Oc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(COC)C[C@H]43)c2)c(C)n1
Cc1nc(OCC(F)(F)F)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)S[C@@]3(C(F)F)C[C@@H]23)c1
COc1ncc(NC(=O)c2ccc(Cl)cn2)cc1[C@@]1(C)N=C(N)S[C@@]2(CF)C[C@H]21
C#CCOc1cnc2c(Nc3cnc(OC)c([C@@]4(C)N=C(N)S[C@@]5(CF)C[C@H]54)c3)ncnc2c1
COc1ncc(Nc2nccc3nc(OCc4ncco4)cnc23)cc1[C@@]1(C)N=C(N)S[C@@]2(CF)C[C@H]21
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(COC)C[C@H]54)c3)nccc2n1
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4nc(OCc5cocn5)cnc34)cc(F)c1F)N=C(N)S2
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4cc(OC)cnc34)cc(F)c1F)N=C(N)S2
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(S(C)(=O)=O)C[C@H]54)c3)nccc2n1
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4nc(OCc5ncco5)cnc34)cc(F)c1F)N=C(N)S2
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(C)N=C(N)S[C@@]5(C(=O)N6CCCC6)C[C@H]54)c3)nccc2n1
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(C(=O)N5CCCC5)C[C@H]43)c2)cn1
C[C@]1(c2cc(NC(=O)c3cnc(OCC(F)(F)F)cn3)ccc2F)N=C(N)S[C@@]2(C(=O)N3CCCC3)C[C@H]21
COCCOc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)S[C@@]5(CF)C[C@H]54)c3)nccc2n1
C[C@]1(c2cc(Nc3ncnc4cc(F)cnc34)cc(F)c2F)N=C(N)S[C@H]2C[C@H]21
C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)cnc2F)N=C(N)S[C@H]2C[C@H]21
C[C@]1(c2cc(Cc3nccc4[nH]c(=O)cnc34)cnc2F)N=C(N)S[C@H]2C[C@H]21
C#CCOc1cnc2c(Cc3cnc(F)c([C@@]4(C)N=C(N)S[C@H]5C[C@H]54)c3)nccc2n1
C[C@]1(c2cc(Cc3nccc4[nH]c(=O)cnc34)cnc2Cl)N=C(N)S[C@H]2C[C@H]21
C[C@]1(c2cc(Nc3nccc4cc(C#N)cnc34)cnc2F)N=C(N)S[C@H]2C[C@H]21
Cc1cc(OCc2ncco2)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)S[C@@]3(C(F)F)C[C@@H]23)c1
Cc1cc(OCc2ncco2)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(C)N=C(N)S[C@@]3(C(F)F)C[C@@H]23)c1
COC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ncc(OCc4ncco4)cc3C)ccc1F)N=C(N)S2
Cc1cc(OCc2ncco2)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(C)N=C(N)S[C@@]3(CF)C[C@H]32)c1
COC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ncc(OCc4ncco4)cc3C)cc(F)c1F)N=C(N)S2
C#C[C@H](C)Oc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(C(F)F)C[C@@H]34)c2)c(C)c1
C#C[C@H](C)Oc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(C(F)F)C[C@@H]34)c2)c(C)c1
C#C[C@H](C)Oc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(COC)C[C@H]43)c2)c(C)c1
C#C[C@H](C)Oc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(COC)C[C@H]43)c2)c(C)c1
C#C[C@H](C)Oc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(CF)C[C@H]43)c2)c(C)c1
Cc1cc(OCc2ncco2)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)S[C@@]3(CF)C[C@H]32)c1
C#CCOc1cnc2c(Nc3cnc(F)c([C@@]4(C)N=C(N)S[C@@]5(C(F)F)C[C@@H]45)c3)nccc2n1
C[C@]1(c2cc(Nc3nccc4nc(OCc5ncco5)cnc34)cnc2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
C#CCOc1cnc(C(=O)Nc2cnc(F)c([C@@]3(C)N=C(N)S[C@@]4(CF)C[C@H]43)c2)c(C)n1
CC(C)NC(=O)c1cnc2c(Nc3cnc(F)c([C@@]4(C)N=C(N)S[C@@]5(C(F)F)C[C@@H]45)c3)nccc2c1
C[C@]1(c2cc(Nc3nccc4cc(C#N)cnc34)cnc2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
C[C@]1(c2cc(Nc3ncnc4cc(C#N)cnc34)cnc2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
C#CCOc1cnc2c(Nc3cnc(F)c([C@@]4(C)N=C(N)S[C@@]5([C@H](O)C(F)(F)F)C[C@H]54)c3)nccc2n1
C#CCOc1cnc2c(Nc3cnc(F)c([C@@]4(C)N=C(N)S[C@@]5([C@@H](O)C(F)(F)F)C[C@H]54)c3)nccc2n1
C#CCOc1cnc2c(Nc3cnc(F)c([C@@]4(C)N=C(N)S[C@]5(CO)[C@H]4C5(F)F)c3)nccc2n1
C#CCOc1cnc2c(Nc3cnc(F)c([C@@]4(C)N=C(N)S[C@@]5(CO)C[C@H]54)c3)nccc2n1
C[C@]1(c2cc(Nc3nccc4nc(OCc5ncco5)cnc34)cnc2F)N=C(N)S[C@]2(CO)[C@H]1C2(F)F
C[C@]1(c2cc(Nc3ncnc4cc(OCc5ncco5)cnc34)cnc2F)N=C(N)S[C@]2(CO)[C@H]1C2(F)F
C#CCOc1cnc2c(Nc3cnc(F)c([C@@]4(C)N=C(N)S[C@@]5([C@H](O)C(F)(F)F)C[C@H]54)c3)ncnc2c1
C#CCOc1cnc2c(Nc3cnc(F)c([C@@]4(C)N=C(N)S[C@@]5([C@@H](O)C(F)(F)F)C[C@H]54)c3)ncnc2c1
C[C@]1(c2cc(Nc3ncnc4cc(OCc5ncco5)cnc34)cnc2F)N=C(N)S[C@@]2([C@H](O)C(F)(F)F)C[C@H]21
C[C@]1(c2cc(Nc3ncnc4cc(OCc5ncco5)cnc34)cnc2F)N=C(N)S[C@@]2([C@@H](O)C(F)(F)F)C[C@H]21
C[C@]1(c2cc(Nc3nccc4cc(OCc5ncco5)cnc34)cnc2F)N=C(N)S[C@]2(CO)[C@H]1C2(F)F
C#CCOc1cnc2c(Nc3cnc(F)c([C@@]4(C)N=C(N)S[C@@]5(CO)C[C@H]54)c3)ncnc2c1
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(C)N=C(N)S[C@@]5([C@H](O)C(F)(F)F)C[C@H]54)c3)nccc2n1
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(C)N=C(N)S[C@@]5([C@@H](O)C(F)(F)F)C[C@H]54)c3)nccc2n1
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4([C@H](O)C(F)(F)F)C[C@H]43)c2)cn1
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4([C@@H](O)C(F)(F)F)C[C@H]43)c2)cn1
COC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ncc(OCC(F)(F)F)cc3C)cc(F)c1F)N=C(N)S2
C#CCOc1cnc2c(Nc3cnc(F)c([C@@]4(C)N=C(N)S[C@@]5([C@H](OC)C(F)(F)F)C[C@H]54)c3)nccc2n1
C#CCOc1cnc2c(Nc3cnc(F)c([C@@]4(C)N=C(N)S[C@@]5([C@@H](OC)C(F)(F)F)C[C@H]54)c3)nccc2n1
Cc1cc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(C)N=C(N)S[C@@]3(CF)C[C@H]32)c1
Cc1cc(OCC(F)(F)F)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(C)N=C(N)S[C@@]3(C(F)F)C[C@@H]23)c1
Cc1cc(OCC(F)(F)F)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)S[C@@]3(C(F)F)C[C@@H]23)c1
COC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ncc(OCC(F)(F)F)cc3C)ccc1F)N=C(N)S2
[H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2ncc(OCC#C)cc2C)cc(F)c1F |r,c:10|
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(COC)C[C@H]43)c2)c(C)c1
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(CF)C[C@H]43)c2)c(C)c1
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(C(F)F)C[C@@H]34)c2)c(C)c1
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(C(F)F)C[C@@H]34)c2)c(C)c1
COC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ncc(O[C@@H](C)c4ncco4)cc3C)cc(F)c1F)N=C(N)S2
COC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ncc(O[C@H](C)c4ncco4)cc3C)cc(F)c1F)N=C(N)S2
Cc1cc(OCC(F)(F)F)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)S[C@@]3(CF)C[C@H]32)c1
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(CF)C[C@H]43)c2)c(C)c1
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(CF)C[C@H]43)c2)c(C)c1
C[C@]1(c2cc(NC(=O)c3ccc(OCC(F)(F)F)cn3)cc(F)c2F)N=C(N)S[C@@]2(CF)C[C@H]21
C[C@]1(c2cc(NC(=O)c3ncc(OCC(F)(F)F)cc3Cl)cc(F)c2F)N=C(N)S[C@@]2(CF)C[C@H]21
[H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)cc(F)c1F |r,c:10|
C[C@]1(c2cc(NC(=O)c3ccc(OCC(F)(F)F)cn3)cc(F)c2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
C[C@]1(c2cc(NC(=O)c3ccc(OCC(F)(F)F)cn3)ccc2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
C[C@]1(c2cc(NC(=O)c3ccc(OCC(F)(F)F)cn3)ccc2F)N=C(N)S[C@@]2(CF)C[C@H]21
COC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ccc(OCC(F)(F)F)cn3)ccc1F)N=C(N)S2
C[C@]1(c2cc(NC(=O)c3ccc(OCC(F)(F)F)cn3)cc(F)c2F)N=C(N)S[C@@]2(C(=O)N3CCCC3)C[C@H]21
CNC(=O)[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ccc(OCC(F)(F)F)cn3)cc(F)c1F)N=C(N)S2
CNC(=O)[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3cnc(OCC(F)(F)F)cn3)cc(F)c1F)N=C(N)S2
CNC(=O)[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ncc(OCC(F)(F)F)cc3C)cc(F)c1F)N=C(N)S2
C[C@]1(c2cc(Nc3ncnc4cc(C#N)cnc34)ccc2F)N=C(N)S[C@]2(CO)[C@H]1C2(F)F
C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)S[C@]2(CO)[C@H]1C2(F)F
C[C@]1(c2cc(Nc3nccc4nc(OCc5ncco5)cnc34)ccc2F)N=C(N)S[C@]2(CO)[C@H]1C2(F)F
C[C@]1(c2cc(Nc3nccc4nc(OCc5cocn5)cnc34)ccc2F)N=C(N)S[C@]2(CO)[C@H]1C2(F)F
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(C)N=C(N)S[C@]5(CO)[C@H]4C5(F)F)c3)nccc2n1
C[C@]1(c2cc(NC(=O)c3cnc(OCC(F)(F)C(F)F)cn3)ccc2F)N=C(N)S[C@]2(CO)[C@H]1C2(F)F
COC[C@@]12SC(N)=N[C@](C)(c3cc(Nc4ncnc5cc(C#N)cnc45)ccc3F)[C@@H]1C2(F)F
COC[C@@]12SC(N)=N[C@](C)(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)[C@@H]1C2(F)F
CC(C)(O)[C@@]12SC(N)=N[C@](C)(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)[C@@H]1C2(F)F
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(C)N=C(N)S[C@]5(C(C)(C)O)[C@H]4C5(F)F)c3)nccc2n1
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(C)N=C(N)S[C@]5([C@@H](C)O)[C@H]4C5(F)F)c3)nccc2n1
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(C)N=C(N)S[C@]5([C@H](C)O)[C@H]4C5(F)F)c3)nccc2n1
CCOC[C@]12C[C@H]1[C@@](CF)(c1cc(NC(=O)c3ncc(C#N)cc3C)ccc1F)N=C(N)S2
COC[C@]12C[C@H]1[C@@](CF)(c1cc(NC(=O)c3ncc(C#N)cc3C)ccc1F)N=C(N)S2
COC[C@]12C[C@H]1[C@@](CF)(c1cc(Nc3nccc4cc(C#N)cnc34)ccc1F)N=C(N)S2
N#CC[C@]12C[C@H]1[C@@](CF)(c1cc(NC(=O)c3ccc(Cl)cn3)ccc1F)N=C(N)S2
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C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(COC)C[C@H]54)c3)nccc2c1
COC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3cnc(OCC(F)(F)C(F)F)cn3)cc(F)c1F)N=C(N)S2
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4cc(OCc5ncc(Cl)s5)cnc34)cc(F)c1F)N=C(N)S2
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4cc(OCc5nc(Br)cs5)cnc34)cc(F)c1F)N=C(N)S2
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4cc(OCc5nccs5)cnc34)cc(F)c1F)N=C(N)S2
[H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCCC(F)(F)F)cn2)cc(F)c1F |r,c:10|
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NC1=N[C@](CF)(c2cc(NC(=O)c3cnc(OCc4ncco4)cn3)ccc2F)[C@@H]2C[C@]2(c2cnco2)S1
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C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)S[C@@]2(C(=O)NC3CC3)C[C@H]21
C#CCOc1ccc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)S[C@@]4(c5ccon5)C[C@@H]34)c2)nc1
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C[C@]1(c2cc(Nc3nccc4nc(OCc5ncco5)cnc34)ccc2F)N=C(N)S[C@@]2(C(=O)NC3CC3)C[C@H]21
CC(C)(C)NC(=O)[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ccc(Cl)cn3)ccc1F)N=C(N)S2
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C[C@]1(c2cc(NC(=O)c3cnc(OCc4ncco4)cn3)ccc2F)N=C(N)S[C@@]2(C(=O)NC3CC3)C[C@H]21
C[C@]1(c2cc(NC(=O)c3cnc(OCC(F)(F)F)cn3)ccc2F)N=C(N)S[C@@]2(C(=O)NC3CC3)C[C@H]21
C[C@]1(c2cc(Nc3ncnc4cc(C#N)cnc34)cc(F)c2F)N=C(N)S[C@@]2(CF)C[C@H]21
C[C@]1(c2cc(Nc3nccc4nc(OCc5ncco5)cnc34)cc(F)c2F)N=C(N)S[C@@]2(CF)C[C@H]21
Cc1nc(OCc2ncco2)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(C)N=C(N)S[C@@]3(CF)C[C@H]32)c1
[H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F)C(F)F |r,c:7|
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(F)F)C[C@@H]45)c3)nccc2n1
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(CF)C[C@H]54)c3)nccc2n1
[H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F)C(F)F |r,c:7|
C[C@]1(c2cc(Nc3ncnc4cc(OCc5ncco5)cnc34)cc(F)c2F)N=C(N)S[C@@]2(CF)C[C@H]21
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncnc4cc(OCc5ncco5)cnc34)cc(F)c1F)N=C(N)S2
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(CF)N=C(N)S[C@@]4(CF)C[C@H]43)c2)cn1
C[C@]1(c2cc(NC(=O)c3cnc(OCc4ncco4)cn3)cc(F)c2F)N=C(N)S[C@@]2(CF)C[C@H]21
C[C@]1(c2cc(Nc3ncnc4cc(OCc5ncco5)cnc34)cc(F)c2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(CF)C[C@H]54)c3)ncnc2c1
C[C@]1(c2cc(NC(=O)c3cnc(OCC(F)(F)F)cn3)cc(F)c2F)N=C(N)S[C@@]2(CF)C[C@H]21
[H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)cc(F)c1F |r,c:10|
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(C)N=C(N)S[C@@]5(C(F)F)C[C@@H]45)c3)nccc2n1
C[C@]1(c2cc(Nc3nccc4nc(OCc5ncco5)cnc34)ccc2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(C)N=C(N)S[C@@]5(C(F)F)C[C@@H]45)c3)ncnc2c1
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(C(F)F)C[C@@H]34)c2)cn1
C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)S[C@@]2(CF)C[C@H]21
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(CF)C[C@H]43)c2)cn1
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(C)N=C(N)S[C@@]5(CF)C[C@H]54)c3)nccc2n1
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(C)N=C(N)S[C@@]5(CF)C[C@H]54)c3)ncnc2c1
C[C@]1(c2cc(Nc3nccc4nc(OCc5ncco5)cnc34)ccc2F)N=C(N)S[C@@]2(CF)C[C@H]21
C[C@]1(c2cc(NC(=O)c3cnc(OCC(F)(F)F)cn3)ccc2F)N=C(N)S[C@@]2(CF)C[C@H]21
C#C[C@H](C)Oc1cnc2c(Nc3ccc(F)c([C@@]4(C)N=C(N)S[C@@]5(CF)C[C@H]54)c3)nccc2n1
Cc1nc(COc2cnc3c(Nc4ccc(F)c([C@@]5(C)N=C(N)S[C@@]6(CF)C[C@H]65)c4)nccc3n2)no1
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(CF)C[C@H]43)c2)c(C)n1
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(C(F)F)C[C@@H]34)c2)c(C)n1
COC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3cnc(OCC(F)(F)F)cn3)ccc1F)N=C(N)S2
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(COC)C[C@H]43)c2)c(C)n1
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C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(COC)C[C@H]43)c2)cn1
COC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ncc(OCc4ncco4)nc3C)ccc1F)N=C(N)S2
Cc1nc(OCc2ncco2)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)S[C@@]3(C(F)F)C[C@@H]23)c1
Cc1nc(OCc2ncco2)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)S[C@@]3(CF)C[C@H]32)c1
[2H]C([2H])(C#C)Oc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(CF)C[C@H]43)c2)cn1
[2H]C([2H])(C#C)Oc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(C(F)F)C[C@@H]34)c2)cn1
[2H]C([2H])(C#C)Oc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(COC)C[C@H]43)c2)cn1
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(CF)N=C(N)S[C@H]5C[C@H]54)c3)nccc2n1
NC1=N[C@](CF)(c2cc(Nc3nccc4nc(OCc5ncco5)cnc34)cc(F)c2F)[C@@H]2C[C@@H]2S1
NC1=N[C@](CF)(c2cc(Nc3nccc4nc(OCc5cocn5)cnc34)cc(F)c2F)[C@@H]2C[C@@H]2S1
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncnc4cc(Cl)cnc34)cnc1F)N=C(N)S2
C#CCOc1cnc(C(=O)Nc2cnc(F)c([C@@]3(C)N=C(N)S[C@@]4(COC)C[C@H]43)c2)c(C)n1
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncnc4cc(C#N)cnc34)cnc1F)N=C(N)S2
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4cc(C#N)cnc34)cnc1F)N=C(N)S2
C#CCOc1cnc2c(Nc3cnc(F)c([C@@]4(C)N=C(N)S[C@@]5(COC)C[C@H]54)c3)nccc2n1
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4nc(OCc5ncco5)cnc34)cnc1F)N=C(N)S2
[2H]C([2H])([2H])OC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ncc(OCC#C)nc3C)cnc1F)N=C(N)S2
[2H]C([2H])([2H])OC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3cnc(OCC#C)cn3)cnc1F)N=C(N)S2
[2H]C([2H])([2H])OC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncnc4cc(Cl)cnc34)cnc1F)N=C(N)S2
[2H]C([2H])([2H])OC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4nc(OCC#C)cnc34)cnc1F)N=C(N)S2
[2H]C([2H])([2H])OC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4nc(OC([2H])([2H])C#C)cnc34)cnc1F)N=C(N)S2
COC(=O)c1cc(CC(=O)c2ccc(Cl)cn2)cc([C@]23CN=C(N)S[C@@]2(C(=O)OC)C3)c1F
C#CCOc1cnc2c(Cc3cc(C(=O)OC)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(=O)OC)C[C@H]54)c3)nccc2n1
C#CCOc1cnc2c(Cc3cc(C(=O)OC)c(F)c([C@@]4(C)N=C(N)S[C@@]5(CO)C[C@H]54)c3)nccc2n1
C[C@]1(c2cc(CC(=O)c3ccc(Cl)cn3)cc(CO)c2F)N=C(N)S[C@@]2(CO)C[C@H]21
C#CCOc1cnc(C(=O)Nc2cnc(F)c([C@@]3(C)N=C(N)S[C@@]4(COC)C[C@H]43)c2)cn1
Cc1nc(OCc2ncco2)cnc1C(=O)Nc1cc(F)c(F)c([C@@]2(C)N=C(N)S[C@@]3(C(F)F)C[C@@H]23)c1
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(C(F)F)C[C@@H]34)c2)c(C)n1
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(COC)C[C@H]43)c2)c(C)n1
COC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ncc(OCc4ncco4)nc3C)cc(F)c1F)N=C(N)S2
COC[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ncc(O[C@@H](C)c4ncco4)nc3C)cc(F)c1F)N=C(N)S2
CC#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)S[C@@]5(CF)C[C@H]54)c3)nccc2n1
C[C@]1(c2cc(Nc3nccc4nc(OCc5ncco5)cnc34)cc(F)c2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
C[C@]1(c2cc(Nc3nccc4nc(OCc5cocn5)cnc34)cc(F)c2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
CC#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(F)F)C[C@@H]45)c3)nccc2n1
CC#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(COC)C[C@H]54)c3)nccc2n1
Cc1nc(COc2cnc3c(Nc4cc(F)c(F)c([C@@]5(C)N=C(N)S[C@@]6(C(F)F)C[C@@H]56)c4)nccc3n2)co1
C[C@]1(c2cc(Nc3nccc4nc(OCCCF)cnc34)cc(F)c2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
CC(F)(F)COc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(F)F)C[C@@H]45)c3)nccc2n1
C[C@]1(c2cc(Nc3nccc4nc(OCc5ncccc5F)cnc34)cc(F)c2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
Cc1ccnc(COc2cnc3c(Nc4cc(F)c(F)c([C@@]5(C)N=C(N)S[C@@]6(C(F)F)C[C@@H]56)c4)nccc3n2)n1
C[C@]1(c2cc(Nc3nccc4nc(OCc5cscn5)cnc34)cc(F)c2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
CC(C)Oc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(F)F)C[C@@H]45)c3)nccc2n1
Cc1nnc(COc2cnc3c(Nc4cc(F)c(F)c([C@@]5(C)N=C(N)S[C@@]6(C(F)F)C[C@@H]56)c4)nccc3n2)o1
CN(C)C(=O)COc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(F)F)C[C@@H]45)c3)nccc2n1
C#C[C@H](C)Oc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)S[C@@]5(CF)C[C@H]54)c3)nccc2n1
Cc1noc(COc2cnc3c(Nc4ccc(F)c([C@@]5(CF)N=C(N)S[C@@]6(CF)C[C@H]65)c4)nccc3n2)n1
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4nc(OCc5ncccn5)cnc34)cc(F)c1F)N=C(N)S2
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4nc(OCc5nc(C)no5)cnc34)cc(F)c1F)N=C(N)S2
Cc1nc(COc2cnc3c(Nc4cc(F)c(F)c([C@@]5(C)N=C(N)S[C@@]6(C(F)F)C[C@@H]56)c4)nccc3n2)no1
C[C@]1(c2cc(Nc3nccc4nc(OCc5ncccn5)cnc34)cc(F)c2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3nccc4nc(OCc5noc(C)n5)cnc34)cc(F)c1F)N=C(N)S2
Cc1nc(COc2cnc3c(Nc4cc(F)c(F)c([C@@]5(C)N=C(N)S[C@@]6(C(F)F)C[C@@H]56)c4)nccc3n2)c(C)o1
Cc1noc(COc2cnc3c(Nc4cc(F)c(F)c([C@@]5(C)N=C(N)S[C@@]6(C(F)F)C[C@@H]56)c4)nccc3n2)n1
Cc1cnc(COc2cnc3c(Nc4cc(F)c(F)c([C@@]5(C)N=C(N)S[C@@]6(C(F)F)C[C@@H]56)c4)nccc3n2)o1
Cc1nnc(COc2cnc3c(Nc4cc(F)c(F)c([C@@]5(C)N=C(N)S[C@@]6(C(F)F)C[C@@H]56)c4)nccc3n2)s1
C#C[C@H](C)c1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(F)F)C[C@@H]45)c3)nccc2n1
C[C@@H](Oc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(F)F)C[C@@H]45)c3)nccc2n1)c1ncco1
C[C@H](Oc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(F)F)C[C@@H]45)c3)nccc2n1)c1ncco1
C[C@]1(c2cc(Nc3nccc4nc(OCCN5CCCC5=O)cnc34)cc(F)c2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
COC[C@H](C)Oc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(F)F)C[C@@H]45)c3)nccc2n1
COc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(F)F)C[C@@H]45)c3)nccc2n1
C[C@]1(c2cc(Nc3nccc4[nH]c(=O)cnc34)cc(F)c2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
COc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@H]5C[C@H]54)c3)ncnc2c1
COC(=O)[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ccc(Cl)cn3)cc(F)c1F)N=C(N)S2
C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)cc(F)c2F)N=C(N)S[C@@]2(C(=O)[O-])C[C@H]21
COc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@H]5C[C@H]54)c3)nccc2n1
CON(C)C(=O)[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncnc4cc(Cl)cnc34)cc(F)c1F)N=C(N)S2
CC(=O)[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncnc4cc(Cl)cnc34)cc(F)c1F)N=C(N)S2
CC#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(COC)C[C@H]54)c3)nccc2c1
CC(=O)[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncnc4cc(C#N)cnc34)cc(F)c1F)N=C(N)S2
[H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F)C(N)=O |r,c:7|
CC(=O)[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3ccc(Cl)cn3)cc(F)c1F)N=C(N)S2
C[C@H](O)[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncnc4cc(C#N)cnc34)cc(F)c1F)N=C(N)S2
C[C@@H](O)[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncnc4cc(C#N)cnc34)cc(F)c1F)N=C(N)S2
CC(C)(O)[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncnc4cc(C#N)cnc34)cc(F)c1F)N=C(N)S2
[H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCc3ncco3)cn2)cc(F)c1F |r,c:10|
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(N)=O)C[C@H]54)c3)nccc2n1
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(=O)N(C)C)C[C@H]54)c3)nccc2n1
[H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F)C(=O)N(C)C |r,c:7|
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(C(=O)NC)C[C@H]43)c2)cn1
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(=O)NC)C[C@H]54)c3)nccc2n1
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C#N)C[C@H]54)c3)nccc2n1
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(N)=O)C[C@H]54)c3)ncnc2c1
C[C@]1(c2cc(Nc3ncnc4cc(OCc5ncco5)cnc34)cc(F)c2F)N=C(N)S[C@@]2(C(N)=O)C[C@H]21
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(C(N)=O)C[C@H]43)c2)cn1
CC#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(N)=O)C[C@H]54)c3)nccc2n1
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C#N)C[C@H]54)c3)ncnc2c1
CN(C)C(=O)[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3cnc(OCC(F)(F)C(F)F)cn3)cc(F)c1F)N=C(N)S2
CN(C)C(=O)[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncnc4cc(OCc5ncco5)cnc34)cc(F)c1F)N=C(N)S2
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(C#N)C[C@H]43)c2)cn1
C#C[C@H](C)Oc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(=O)N(C)C)C[C@H]54)c3)nccc2n1
CN(C)C(=O)[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3cnc(OCC(F)(F)F)cn3)cc(F)c1F)N=C(N)S2
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(C#N)C[C@H]43)c2)cn1
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(C)N=C(N)S[C@@]5(C#N)C[C@H]54)c3)ncnc2c1
C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)S[C@@]2(C#N)C[C@H]21
[H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F)C(=O)N(C)C |r,c:7|
C#C[C@H](C)Oc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C#N)C[C@H]54)c3)nccc2n1
[H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F)C#N |r,c:7|
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(=O)N6CCCC6)C[C@H]54)c3)ncnc2c1
C#CCOc1cnc(C(=O)Nc2cc(F)c(F)c([C@@]3(C)N=C(N)S[C@@]4(C(=O)N5CCCC5)C[C@H]43)c2)cn1
C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)cc(F)c2F)N=C(N)S[C@@]2(C(=O)N3CCCC3)C[C@H]21
C[C@]1(c2cc(Nc3ncnc4cc(OCc5ncco5)cnc34)cc(F)c2F)N=C(N)S[C@@]2(C(=O)N3CCCC3)C[C@H]21
C#C[C@H](C)Oc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(=O)N6CCCC6)C[C@H]54)c3)nccc2n1
C[C@H](Oc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(=O)N6CCCC6)C[C@H]54)c3)nccc2n1)c1ncco1
C[C@H](Oc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C#N)C[C@H]54)c3)nccc2n1)c1ncco1
C[C@]1(c2cc(NC(=O)c3cnc(OCC(F)(F)F)cn3)cc(F)c2F)N=C(N)S[C@@]2(C#N)C[C@H]21
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)S[C@H]5C[C@H]54)c3)ncnc2c1
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)S[C@@]5(COC)C[C@H]54)c3)ncnc2c1
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(COC)C[C@H]54)c3)ncnc2c1
C#CCOc1cnc2c(Nc3cnc(F)c([C@@]4(C)N=C(N)S[C@@]5(CF)C[C@H]54)c3)ncnc2c1
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(C(F)F)C[C@@H]45)c3)ncnc2c1
COCCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(COC)C[C@H]54)c3)ncnc2c1
COCCOc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)S[C@@]5(COC)C[C@H]54)c3)ncnc2c1
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncnc4cc(OCc5nc(C)oc5C)cnc34)cc(F)c1F)N=C(N)S2
C[C@]1(c2cc(Nc3ncc(F)c4cc(OCc5ncco5)cnc34)cc(F)c2F)N=C(N)S[C@@]2(C(F)F)C[C@@H]12
COC[C@]12C[C@H]1[C@@](C)(c1cc(Nc3ncc(F)c4cc(OCc5ncco5)cnc34)cc(F)c1F)N=C(N)S2
C#CCOc1cnc2c(Nc3cc(F)c(F)c([C@@]4(C)N=C(N)S[C@@]5(COC)C[C@H]54)c3)ncc(F)c2c1
CCC#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)S[C@@]5(/C=C/C(=O)N(C)C)C[C@H]54)c3)nccc2n1
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)S[C@@]4(COCC(F)(F)F)C[C@H]43)c2)cn1
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)[C@@H]2C[C@]2(COCC(F)(F)F)S1
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)S[C@@]4(COC(C)C)C[C@H]43)c2)cn1
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)[C@@H]2C[C@]2(c2c[nH]nn2)S1
NC1=N[C@](CF)(c2cc(Nc3nccc4nc(OCc5ncco5)cnc34)ccc2F)[C@@H]2C[C@]2(c2c[nH]nn2)S1
CC#C[C@]12C[C@H]1[C@@](CF)(c1cc(Nc3nccc4nc(OCc5ncco5)cnc34)ccc1F)N=C(N)S2
C#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)S[C@@]4(c5c[nH]nn5)C[C@@H]34)c2)cn1
C#CCOc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)S[C@@]5(c6c[nH]nn6)C[C@@H]45)c3)nccc2n1
C[C@]1(c2cc(Nc3ncnc4cc(C#N)cnc34)ccc2F)N=C(N)S[C@@]2(CO)[C@@H]1C2(F)F
NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)[C@H]2[C@@H]3CSC[C@@]32S1
CNC(=O)[C@]12C[C@H]1[C@@](C)(c1cc(NC(=O)c3cnc(OCC(F)(F)C(F)F)cn3)cc(F)c1F)N=C(N)S2
C#CCOc1cnc(C(=O)Nc2cnc(OC)c([C@@]3(C)N=C(N)S[C@@]4(C#N)C[C@H]43)c2)cn1
C#C[C@H](C)Oc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)S[C@@]4(COC)C[C@H]43)c2)cn1
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CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
COc1ccc(cc1)-c1oc2cc(Br)c(I)cc2c(=O)c1O
FC(F)(F)c1ccc(N\N=C\c2coc3c4cc(oc4ccc3c2=O)-c2ccc(Cl)cc2)cc1
C(CN1CCCCC1)C1CCc2cc(OCc3ccc(cc3)-c3ccccc3)ccc2C1
COC(=O)c1cc(NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(O)c2ccccc2-c2ccccc2)C(C)C)cc(c1)C(=O)OC
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN)C(O)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC(C)C[C@H](NC(=O)C(CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C)C(=O)NCc1ccccc1
CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C)C(=O)NCc1ccccc1
CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
CC(C)C[C@H](NCC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
CSCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
CSCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)C[C@@H](Cc1ccccc1)C(O)=O
CSCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)C(CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)C(CS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NC[C@H]1CCC(CC1)C(O)=O |wU:18.18,38.39,wD:31.35,28.30,(-12.85,2.46,;-11.51,1.7,;-11.49,.15,;-10.16,-.61,;-10.16,-2.15,;-11.49,-2.92,;-11.49,-4.46,;-8.83,.15,;-8.83,1.7,;-7.5,-.63,;-7.5,-2.17,;-6.19,-2.94,;-4.83,-2.16,;-4.86,-.61,;-6.19,.15,;-3.51,.15,;-3.52,1.7,;-2.17,-.63,;-.84,.14,;-.83,1.7,;.04,3.37,;.01,4.91,;1.34,5.67,;1.34,7.22,;2.69,4.91,;2.69,3.37,;4.02,2.6,;1.37,2.6,;.5,-.63,;.5,-2.17,;1.82,.14,;3.16,-.63,;3.16,-2.17,;1.83,-2.94,;4.48,.14,;4.46,1.32,;5.84,-.63,;7.17,.15,;8.52,-.61,;9.84,.15,;11.17,-.61,;11.18,-2.15,;9.87,-2.92,;8.52,-2.15,;12.51,-2.91,;12.51,-4.44,;13.84,-2.13,)|
Brc1ccc(N2CCNCC2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1
Brc1ccc(N2CCN(CC2)S(=O)(=O)c2cccs2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc(=O)c2ccccc2o1
Brc1ccc(N2CCNCC2)c(NC(=O)c2ccc3ccccc3n2)c1
COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCN(CC3)S(=O)(=O)c3cccs3)cc(=O)oc2c1
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1ccc2ccccc2n1
COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCNCC3)cc(=O)oc2c1
COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCN(CC3)C(=O)OC(C)(C)C)cc(=O)oc2c1
COc1cc(OC)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Oc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
COc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Oc1cc2oc(cc(=O)c2cc1O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
Clc1ccc2c(NCCCCCCCCCCNC(=O)c3cc(=O)c4ccccc4o3)c3CCCCc3nc2c1
CO[C@H]1CC[C@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wU:2.1,wD:5.5,c:20,t:16,(17.12,-21.2,;16.36,-19.87,;14.82,-19.86,;14.05,-21.18,;12.52,-21.18,;11.76,-19.85,;10.86,-21.11,;9.38,-20.64,;8.04,-21.41,;6.71,-20.64,;6.71,-19.09,;8.04,-18.32,;9.37,-19.09,;10.85,-18.6,;12.33,-18.2,;12.41,-16.66,;13.69,-15.81,;10.96,-16.11,;10.56,-14.63,;10,-17.32,;5.38,-18.32,;4.05,-19.09,;2.72,-18.33,;2.71,-16.78,;4.05,-16.01,;5.38,-16.78,;4.05,-14.47,;4.04,-12.93,;4.02,-11.39,;12.52,-18.52,;14.06,-18.53,)|
CC1(C)Cc2ccc(cc2C11C=C(F)C(N)=N1)-c1cncnc1 |c:17,t:13|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:20,t:16,(38.35,-13.03,;37.58,-11.69,;36.04,-11.69,;35.28,-10.36,;33.75,-10.35,;32.98,-11.67,;32.08,-12.94,;30.6,-12.47,;29.26,-13.23,;27.93,-12.46,;27.93,-10.92,;29.26,-10.15,;30.6,-10.91,;32.07,-10.43,;33.56,-10.02,;33.63,-8.48,;34.92,-7.64,;32.19,-7.94,;31.78,-6.46,;31.23,-9.14,;26.6,-10.15,;25.28,-10.92,;23.94,-10.16,;23.94,-8.61,;25.27,-7.84,;26.61,-8.61,;25.27,-6.3,;25.26,-4.75,;25.25,-3.21,;33.74,-13,;35.27,-13.01,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncnc2)CC1 |r,wD:5.5,2.1,c:20,t:16,(18.99,-9.87,;18.23,-8.53,;16.69,-8.52,;15.92,-7.19,;14.39,-7.18,;13.63,-8.51,;12.73,-9.78,;11.24,-9.3,;9.91,-10.07,;8.57,-9.3,;8.58,-7.75,;9.9,-6.98,;11.24,-7.75,;12.72,-7.26,;14.2,-6.86,;14.27,-5.32,;15.56,-4.47,;12.83,-4.77,;12.42,-3.29,;11.87,-5.98,;7.25,-6.98,;7.25,-5.44,;5.92,-4.67,;4.58,-5.44,;4.59,-6.99,;5.92,-7.75,;14.39,-9.84,;15.91,-9.84,)|
Fc1cccc(CNC(=O)c2c[nH]c3ccc(cc3c2=O)S(=O)(=O)Nc2ccc(cc2)C(F)(F)F)c1
COc1ccc(CNC(=O)c2c[nH]c3ccc(cc3c2=O)S(=O)(=O)Nc2ccc(cc2)C(F)(F)F)cc1
COc1cccc(CNC(=O)c2c[nH]c3ccc(cc3c2=O)S(=O)(=O)Nc2ccc(cc2)C(F)(F)F)c1
FC(F)(F)c1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCc4ccco4)c(=O)c3c2)cc1
FC(F)(F)c1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCCC4)c(=O)c3c2)cc1
Cc1ccccc1-c1ccc2[nH]cc(C(=O)NCc3cccc(c3)C(F)(F)F)c(=O)c2c1
Cc1ccccc1-c1ccc2[nH]cc(C(=O)NCc3cccc(Br)c3)c(=O)c2c1
Cc1ccccc1-c1ccc2[nH]cc(C(=O)NC3CCCCC3)c(=O)c2c1
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
[H][C@@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNC(=O)c4cc(O)c5C(=O)c6c(O)cccc6C(=O)c5c4)c3[C@@]([H])(CC(C)=C1)C2
[H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNC(=O)c4cc(O)c5C(=O)c6c(O)cccc6C(=O)c5c4)c3[C@]([H])(CC(C)=C1)C2
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCCNC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCc1ccc(CNC(=O)c2cc(O)c3C(=O)c4c(O)cccc4C(=O)c3c2)cc1
CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:18.18|
CN1C(N)=NC2(C1=O)c1cc(ccc1Oc1ccc(cc21)-c1cccnc1)-c1cccnc1 |c:3,@:5|
CN1C(N)=NC2(C1=O)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccnc(F)c1)-c1cccnc1F |c:3|
COc1ccc2c(CCc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncnc2)c1C |t:18|
CO[C@H]1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cccc(c2)C#N)CC1 |r,wD:2.1,t:16,(71.15,-1.91,;69.82,-2.68,;69.82,-4.22,;68.49,-5,;68.49,-6.54,;69.82,-7.3,;71.11,-8.15,;70.7,-9.63,;71.53,-10.92,;70.82,-12.3,;69.28,-12.37,;68.45,-11.07,;69.16,-9.7,;68.62,-8.26,;67.41,-9.22,;66.13,-8.37,;64.68,-8.91,;66.54,-6.88,;65.58,-5.68,;68.08,-6.82,;67.3,-5.48,;68.57,-13.74,;69.41,-15.03,;68.71,-16.39,;67.16,-16.47,;66.33,-15.17,;67.04,-13.81,;64.8,-15.25,;63.26,-15.32,;71.15,-6.54,;71.15,-5,)|
COc1cccc(-c2cccc(c2)[C@]2(N=C(N)N3CC(F)(F)CN=C23)c2ccncc2)c1F |r,t:15,24|
NC1=N[C@](C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(OCCF)c1 |r,t:1,4|
CO[C@H]1CCC2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:13.14,2.1,c:20,t:16,(9,-31.17,;7.67,-31.94,;7.67,-33.48,;6.34,-34.26,;6.34,-35.8,;7.67,-36.56,;8.96,-37.4,;8.55,-38.89,;9.38,-40.18,;8.67,-41.56,;7.13,-41.63,;6.3,-40.33,;7.01,-38.96,;6.47,-37.51,;5.93,-36.07,;4.39,-36.14,;3.43,-34.93,;3.98,-37.62,;2.54,-38.16,;5.26,-38.47,;6.42,-43,;4.89,-43.06,;4.18,-44.43,;5.01,-45.73,;6.56,-45.65,;7.26,-44.28,;7.4,-46.94,;8.24,-48.22,;9.09,-49.51,;9,-35.8,;9,-34.26,)|
CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:25|
CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1 |r,c:26|
C[C@]1(CCSC(N)=N1)c1ccccc1 |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 |r,c:6|
C[C@]1(CCSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)Cl
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)-n2cccn2)ccc1F |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)ccc1F |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(Nc2ncccc2Cl)ccc1F |r,c:6|
COc1cccnc1Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 |r,c:24|
COc1cnc(cn1)C(=O)Nc1cccc(c1)[C@@]1(CSC(N)=N1)C1CCCCC1 |r,c:23|
[H][C@@]12CC(F)(F)C[C@]1([H])[C@](C)(N=C(N)O2)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:12|
NC1=N[C@]2(C[C@H]2CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |r,t:1|
NC1=N[C@]2(C[C@H]2CCS1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:1|
[H][C@@]12C[C@@]1(N=C(N)SCC2)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 |r,t:5|
NC1=N[C@]2(C[C@H]2CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H]2CF)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H]2C(F)(F)F)c1cc(NC(=O)c2cnc(CF)cn2)ccc1F |r,c:5|
c1cc(c(cc1NC(=O)c2ccc(cn2)F)[C@]34COC[C@H]3CSC(=N4)N)F
NC1=N[C@@](CF)(COC1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |r,t:1|
NC1=NC(COC1)(c1cccc(NC(=O)c2ccc(Cl)cn2)c1)C(F)(F)F |t:1|
CC1=CSC(N)=NN1 |c:5,t:1|
NC1=Nc2ccccc2CS1 |t:1|
CC1(COCC(N)=N1)c1cccc(NC(=O)c2ncc(F)cc2F)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(Nc2ccon2)c1 |c:6|
CC1(COCC(N)=N1)c1cccc(c1)-c1cncnc1 |c:6|
[H][C@@]12C[C@@]1(N=C(N)COC2)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:5|
C[C@]1(C[C@H](OCC(N)=N1)c1ccccc1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:7|
C[C@]1(COCCC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:7|
C[C@@]1(N=C(N)COCC1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
C[C@]1(CS(=O)(=O)C2(CCCCC2)C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:14|
C[C@]1(Cn2cccc2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N
C[C@@]1(N=C(N)Cn2nccc12)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |r,t:2|
C[C@]1(Cc2cccn2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)C12COCC1COC(N)=N2 |c:32|
CC1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
COc1cccc(-c2cccc(c2)C2(N=C(N)N3CCCN=C23)c2ccncc2)c1F |t:15,22|
C[C@@]1(N=C(N)CO[C@H]1C(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
CC1(N=C(N)CO[C@@]1(F)C(F)(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
[H][C@@]12COC[C@@]1(N=C(N)N(C)S2(=O)=O)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,t:7|
[H][C@@]12COCC[C@@]1([H])[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cncc(Cl)c1 |r,c:13|
[H][C@@]12COCC[C@@]1([H])[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cccnc1F |r,c:13|
[H][C@@]12COCC[C@@]1([H])[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cncc(F)c1 |r,c:13|
[H][C@@]12COCC[C@@]1([H])[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cccc(c1)C#N |r,c:13|
[H][C@@]12COCC[C@@]1([H])[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cc(F)cc(Cl)c1 |r,c:13|
[H][C@]12COCC[C@]1([H])[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cncc(Cl)c1 |r,c:13|
[H][C@]12CCOC[C@]1(C)Oc1ccc(cc1[C@@]21COC(N)=N1)-c1cncc(Cl)c1 |r,c:22|
[H][C@]12COCC[C@]1([H])[C@@]1(COC(N)=N1)c1cc(ccc1O2)-c1cncc(Cl)c1 |r,c:13|
[H][C@@]12COCC[C@@]1([H])[C@@]1(COC(N)=N1)c1cc(ccc1O2)-c1cncc(Cl)c1 |r,c:13|
COC1Oc2cc(O)ccc2-c2c1oc1cc(O)c(C)c(O)c1c2=O
[H][C@]12COc3c(OC)cccc3[C@]1(O)C(=O)c1c(O)c(C)c(OC)cc1O2 |r|
COC1Oc2ccccc2-c2c1oc1cc(OC)c(C)c(O)c1c2=O
COc1cc2oc3C(O)Oc4cc(O)ccc4-c3c(=O)c2c(O)c1C
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c56)-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12 |r|
Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
COc1cc(OC)c(cc1O)[C@H](C=C)c1ccccc1O |r|
CC1=C(C)C(C)(C)C(=C)C1=O |c:1|
COc1cc(CC(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc2ccccc2)C(O)=O)cc(OC)c1OC
CCCCNC(=O)[C@H](NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NC1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1cccc(OCC(O)=O)c1
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NC1CCCCC1
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1ccncc1
CC(C)CC(NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
CC(C)CC(NC(=O)C(O)c1ccccc1Br)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
CC(C)CC(NC(=O)Cc1ccc(F)cc1F)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
CC(C)CC(NC(=O)Cc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1ccc2OCOc2c1
CC(C)CC(NC(=O)Cc1cccc2ccccc12)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1cccc(c1)C(O)=O
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCCCC(O)=O
CC(C)CC(NC(=O)Cc1ccc(cc1)-c1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
CC(C)CC(NC(=O)C(O)c1cccc(Oc2ccccc2)c1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
CC(C)CC(NC(=O)C(O)c1ccccc1OCc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
CC(C)CC(NC(=O)[C@@H](O)c1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
CO[C@](C)(C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)c1ccccc1
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCCC(O)=O
CO[C@H](C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)c1ccccc1
COC(=O)[C@H]1CC(C[C@H](C1)C(=O)OC)NC(=O)[C@H](NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
CCCCOc1ccc(cc1)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NCc1ccccc1
CC(C)CC(NC(=O)c1ccc(CC(C)C)cc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
COC(=O)CCCCC(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
CC(C)CC(NC(=O)c1ccc2ccccc2c1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
CC(C)CC(NC(=O)CCCOc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
CC(C)C[C@H](NC(=O)C(O)c1ccccc1Br)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O
CC(C)CC(NC(=O)C(O)c1ccccc1Oc1ccccc1)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O
COC(=O)[C@H]1CC(C[C@H](C1)C(=O)OC)NC(=O)[C@H](NC(=O)C[C@H](O)[C@@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(C)C
COC(=O)[C@H]1CC(C[C@H](C1)C(=O)OC)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(O)c1cccc2ccccc12)C(C)C
COC(=O)CCCNC(=O)[C@H](NC(=O)C[C@H](O)C(CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NC1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(C)C)C(=O)NO
CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)C(O)CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)C(O)CN[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CSCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)C(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(N)=O)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
CSCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(N)=O)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
CSCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(N)=O)C(O)CC(C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1
CSCCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)C(CS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)C(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(N)=O)C(O)CC(C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)C(NC(=O)OCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)C(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)C(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)C(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O
COCCCNC(=O)c1cc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc1N(C)C
CN(C)c1ccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1C(=O)NCCCN1CCOCC1
CCOCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N(C)C
CCSc1nsc(NC(=O)Nc2cccc(c2)C(C)=O)n1
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=O)o[nH]1
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=S)o[nH]1
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1
CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1
CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1
CCCC(CCC)S(=O)(=O)CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)C2CCCCC2)c1
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(C)(=O)=O)c1
CCCC(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
CCCN(CCC)S(=O)(=O)CCCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
CCCCN(CCCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)C2CCCCC2)c1
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNCc3cccc(c3)OC)O
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(I)c1
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)N2CCCCC2)c1
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)CCC(C)C)c1
CCCC(C)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |w:3.3|
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)c2ccccc2)c1
CCCN(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)c2ccccc2)c1
Cc1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)N2CCCCC2)c1
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCS(=O)(=O)c2ccccc2)c1
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)NCCC(C)C)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccc(O)c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1C)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)OCc1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)SC1CCOC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)OCCNC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)C1CC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)OC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)COC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)c1ncc[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)c1cc(C)n[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(C)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)CC(NC(=O)OCCC#N)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCC(CCC)S(=O)(=O)C[C@@H](NC(=O)c1ccc(OC)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)OCC(F)(F)F)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)c1cnccc1O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCCS(=O)(=O)C[C@@H](NC(=O)OC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NC(CC(C)C)P(O)(=O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |w:26.25|
CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)P(O)(=O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)P(O)(=O)CC(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C(N)=O
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccc(O)cc1)[C@H](O)CNCc1cccc(OC)c1)C(N)=O
CCCN(CCC)C(=O)c1cc(CC#N)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1)C(N)=O
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)OCC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N(CCC)CCC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C(N)=O
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C#N
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1
CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C#N
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C(=O)N
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)C(O)=O
C[C@@]1(N)Cc2cc(F)cc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccc(F)cc1)c2
C[C@]1(N)COCc2cc(cc(c2)C(=O)N[C@H](CCc2cccc(C1)c2)c1ccccc1)N(c1ccccc1)S(C)(=O)=O
CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@H](C)NC(=O)c(c2)c1)c3)S(C)(=O)=O
CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(=O)(=O)CC(F)(F)F
C[C@@]1(N)Cc2ccc(F)c(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1cccc(F)c1C#N)c1ccc(F)cc1)c2
C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1cccc(F)c1C#N)c1ccc(F)cc1)c2
C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccc(F)cc1)c2F
C[C@@]1(N)Cc2ccc(F)c(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccc(F)cc1)c2
CCS(=O)(=O)N(C)c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3
C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)N(c1ccccc1)S(C)(=O)=O)c1ccccc1)c2
CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(=O)(=O)C(F)(F)F
CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@H](CC)NC(=O)c(c2)c1)c3)S(C)(=O)=O
CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O
CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O
C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccccc1)c2
C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ncco1)c1ccccc1)c2
CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)C#C)c3)S(C)(=O)=O
C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(Br)cc(COC1=O)c3)c1ccccc1)c2
CN(C)S(=O)(=O)N(C)c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3
CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)C(C)C)c3)S(C)(=O)=O
CN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O
CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccc(F)cc1)c3)S(C)(=O)=O
CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O
CCCN(c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)C1CC1)c3)S(C)(=O)=O
CC(C)S(=O)(=O)N(C)c1cc2COC[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3
CC(C)S(=O)(=O)N(C)c1cc(cc(NC[C@H]2C[C@@H]2C)n1)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1
COC[C@H](N)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C
CC(C)S(=O)(=O)N(C)c1cc(cc(n1)N(C)C[C@H]1C[C@@H]1C)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](N)CF
CCCN(CC1CC1)c1cc(cc(n1)N(C)S(=O)(=O)C(C)C)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1
CN(c1cc(cc(NCC2CC2)n1)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1)S(C)(=O)=O
CC(C)S(=O)(=O)N(C)c1cc(cc(NC[C@H]2C[C@@H]2C)n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CF
CC1CC1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CN)Cc1cc(F)cc(F)c1 |w:3.4,1.0|
CCCOc1ccc(-c2scc(c2CC(=O)NC(=N)NCCCO)-c2ccccc2Cl)c(C)c1
CCCOc1ccc(cc1C)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl
CCCNC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl
NC(=N)NC(=O)Cc1c(csc1-c1ccccc1)-c1ccccc1
OCCCNC(=N)NC(=O)Cc1c(csc1-c1ccc(cc1)C(=O)NCC(F)(F)F)-c1ccccc1Cl
CCCOc1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl
CCCOc1ccc(cc1)-c1csc(c1CC(=O)NC(N)=N)-c1ccccc1Cl
CCCOc1ccc(cc1)-c1scc(c1CC(=O)NC(N)=N)-c1ccccc1Cl
CCCCNC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl
NC(=N)NC(=O)Cc1c(csc1-c1ccc(OCCc2cn[nH]c2)cc1)-c1ccccc1Cl
OCCCNC(=N)NC(=O)Cc1c(csc1-c1ccc(cc1)C(=O)NCC1CC1)-c1ccccc1Cl
CC(=O)c1ccc(Oc2ccc(cc2)-c2scc(c2CC(=O)NC(N)=N)-c2ccccc2Cl)cc1
CCCOc1ccc(cc1)-c1csc(c1CC(=O)NC(N)=N)-c1ccccc1
CCC(CC)NC(=O)c1ccc(cc1)-c1scc(c1CC(=O)NC(=N)NCCCO)-c1ccccc1Cl
CCCOc1ccc(cc1)-c1scc(c1CC(=O)NC(N)=N)-c1ccccc1
CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CCCCNc(c2)n1)c3)S(C)(=O)=O
CC1CCc2cccc(C[C@@](C)(N)C(=O)OCc3cc(CC1)nc(c3)N(C)S(C)(=O)=O)c2 |w:1.0|
CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CCCCCc(c2)n1)c3)S(C)(=O)=O
CC(C)N1CCCCc2cccc(C[C@@](C)(N)C(=O)OCc3cc(nc1c3)N(C)S(C)(=O)=O)c2
CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CCCCN(Cc4ccccc4)c(c2)n1)c3)S(C)(=O)=O
CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(c(c2)c1)C(F)(F)F)c1ccccc1)c3)S(C)(=O)=O |w:22.27|
CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CCC(CCc(c2)n1)c1ccccc1)c3)S(C)(=O)=O |w:20.27|
CC1CCc2cccc(C[C@@](C)(N)C(=O)OCc3cc(CC1)cc(c3)N(C)S(C)(=O)=O)c2 |w:1.0|
C[C@@H](NC(c1cc(cc(c1)-c1nnc(o1)[C@](C)(N)Cc1ccc(F)cc1)N(C)S(C)(=O)=O)C(F)(F)F)c1ccc(F)cc1 |w:3.2|
CN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CCCCN(CC4CC4)c(c2)n1)c3)S(C)(=O)=O
NC1=NC(CC(=O)N1)c1ccc(Cl)c(Cl)c1 |t:1|
COc1cccc(c1)-c1cccc(CC[C@]2(C)CC(=O)N(C)C(N)=N2)c1 |c:24|
Cn1c(N)nc(CCc2ccccc2)cc1=O
CN1C(N)=NC(C)(CC1=O)c1ccc(Cl)c(Cl)c1 |c:3|
COc1cccc(c1)-c1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 |c:24|
Cn1c(N)nc(CCc2cccc(c2)-c2cccnc2)cc1=O
Cn1c(N)nc(CCc2ccc3ccccc3c2)cc1=O
CC1(CC(=O)NC(N)=N1)c1ccc(Cl)c(Cl)c1 |c:7|
Cn1c(N)nc(CCc2cccc(c2)-c2ccc[nH]2)cc1=O
COc1cccc(c1)-c1cccc(CCc2cc(=O)n(C)c(N)n2)c1
CN1C(=O)CC(C)(CCc2cccc(c2)-c2ccccc2)N=C1N |c:23|
Cn1c(N)nc(CCc2ccc3cc[nH]c3c2)cc1=O
CN1C(=O)CC(C)(CCc2ccccc2)N=C1N |c:16|
CN1C(=O)CC(C)(N=C1N)c1ccccc1 |c:7|
Cn1c(N)nc(CCc2cccc(c2)-c2ccccc2)cc1=O
COc1cccc(c1)-c1cccc(CC[C@@]2(C)CC(=O)N(C)C(N)=N2)c1 |c:24|
Nc1nc(CCc2ccc3cc[nH]c3c2)cc(=O)[nH]1
CC1(CC(=O)NC(N)=N1)c1ccccc1 |c:7|
COc1cccc(c1)-c1cccc(CCC2(C)CC(=O)N(C)C(N)=N2)c1 |c:24|
COc1cccc(c1)C(=O)Nc1ccc(cc1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N
NC(=N)NC(=O)Cn1c(ccc1-c1ccc(OCC=C)cc1)-c1ccccc1
CCOc1ccc(cc1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N
NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1Cl)-c1ccccc1
NC(=N)NC(=O)Cn1c(ccc1-c1ccc(OCc2ccc(cc2)C#N)cc1)-c1ccccc1
CCCCOc1ccc(cc1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N
NC(=N)NC(=O)Cn1c(ccc1-c1ccc(OCCCC#N)cc1)-c1ccccc1
NC(=N)NC(=O)Cn1c(ccc1-c1ccc(NC(=O)c2ccc(Br)cc2)cc1)-c1ccccc1
CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3cccc(F)c3)n2CC(=O)NC(N)=N)cc1
NC(=N)NC(=O)Cn1c(ccc1-c1ccc(Oc2ccccc2)cc1)-c1ccc(F)cc1
NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1Cl)-c1ccc(F)cc1
Cc1cccc(c1)-c1ccc(-c2ccccc2)n1CC(=O)NC(N)=N
NC(=N)NC(=O)Cn1c(ccc1-c1cc(Cl)ccc1Cl)-c1ccc(F)cc1
NC(=N)NC(=O)Cn1c(ccc1-c1cccc(F)c1)-c1ccc(Oc2ccccc2)cc1
COc1cccc(c1)-c1ccc(-c2ccc(Oc3ccc(cc3)C(C)=O)cc2)n1CC(=O)NC(N)=N
CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3cccc(c3)C#N)n2CC(=O)NC(N)=N)cc1
COc1cccc(c1)-c1ccc(-c2ccc(Oc3ccccc3)cc2)n1CC(=O)NC(N)=N
NC(=N)NC(=O)Cn1c(ccc1-c1cccc(c1)C#N)-c1ccc(Oc2ccccc2)cc1
NC(=N)NC(=O)Cn1c(ccc1-c1ccc(Oc2ccccc2)cc1)-c1csc2ccccc12
NC(=N)NC(=O)Cn1c(ccc1-c1cccc(Cl)c1)-c1ccc(Oc2ccccc2)cc1
COc1ccccc1-c1ccc(-c2ccc(Oc3ccc(cc3)C(C)=O)cc2)n1CC(=O)NC(N)=N
COc1ccccc1-c1ccc(-c2ccc(Oc3ccccc3)cc2)n1CC(=O)NC(N)=N
NC(=N)NC(=O)Cn1c(ccc1-c1ccc(NC(=O)c2cccc(Br)c2)cc1)-c1ccccc1
NC(=N)NC(=O)Cn1c(ccc1-c1ccc(cc1)C(F)(F)F)-c1ccc(Oc2ccccc2)cc1
NC(=N)NC(=O)Cn1c(ccc1-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)-c1ccccc1
NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1Cl)-c1ccc(Oc2ccccc2)cc1
CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccccc3)n2CC(=O)NC(N)=N)cc1
COc1ccc(cc1)-c1ccc(-c2ccc(Oc3ccc(cc3)C(C)=O)cc2)n1CC(=O)NC(N)=N
NC(=N)NC(=O)Cn1c(ccc1-c1ccc(Oc2ccccc2)cc1)-c1ccccc1
COc1ccc(cc1)-c1ccc(-c2ccc(Oc3ccccc3)cc2)n1CC(=O)NC(N)=N
CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccc(cc3)C(F)(F)F)n2CC(=O)NC(N)=N)cc1
NC(=N)NC(=O)Cn1c(ccc1-c1cc(Cl)ccc1Cl)-c1ccccc1
CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccc(F)cc3)n2CC(=O)NC(N)=N)cc1
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)COCC(C)C)N1CCCC1=O
CCCCCC(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(c1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCCCC(C)C)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)CCCC(C)C)N1CCCC1=O |w:24.26|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCCCC1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCSCC1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCC1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cnn(CC)c1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)n1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cc(OC)cc(OC)c1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCCC1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1CCc2ccccc12)N1CCCC1=O
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(Cl)c1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CCc2ccccc12)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccccc1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC(F)(F)F)c1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc(OC)cc1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1(CCCCC1)c1cccc(OC)c1)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1OC)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(c1)C(F)(F)F)N1CCCC1=O
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1)N1CCCC1=O
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc2ccn(c2c1)S(C)(=O)=O)N(C)S(C)(=O)=O)c1ccccc1
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc2cc[nH]c2c1)N(C)S(C)(=O)=O)c1ccccc1
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc2nc(C)oc2C)c1
CC(C)NC(=O)[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(C)C
CC(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O
COc1cccc(CNC[C@@H](O)[C@H](CC(C)C)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)N[C@@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)NCc2nc(C)oc2C)N(C)S(C)(=O)=O)c1
CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc1nc(C)oc1C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2nc(C)oc2C)N(C)S(C)(=O)=O)c1 |w:32.34|
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(=O)cc(o1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(O)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
CS(=O)(=O)Oc1cc(nc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cccc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
CCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
CCCCN1CC([C@@H](Cc2ccccc2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
COC[C@H]1CCCN1C(=O)c1cncc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
COC[C@H]1CCCN1C(=O)c1cc(OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r|
COCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)C1CN(CC2CC2)C(=O)C1)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)C1CN(Cc2ccccc2)C(=O)C1)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCCCN1 |r|
COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2ccccc2)CCN1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2OC)C1=O |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CC2CC2)C1=O |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CC(C)C)C1=O |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CCC)C1=O |r|
CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
CCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(Cc2ccccc2C#N)CCN1 |r|
CCCN1CC(N(C(C)C)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
CCCCN1CC([C@@H](CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)c1ccccc1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCNC1=O |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(Cc2ccccc2Cl)CCN1 |r|
CCCN1CC(CN(CCC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
CCCN1CC(N(CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O |r|
CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(C)C1=O |r|
CCCCN1CC([C@@H](CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCN(Cc2ccccc2)C1=O |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1NCCN(CC)C1=O |r|
CC(C)[C@@H](C(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O)NC(=O)C[C@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r|
CC(C)[C@H](NC(=O)C[C@@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
COC(=O)c1cc(NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C(C)C)cc(c1)C(=O)OC |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1ccccc1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r|
COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)C(C)C)cc1 |r|
CNC(=O)c1cc(cc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O)N(C)S(C)(=O)=O |r|
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r|
COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)cc1 |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O |r|
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NCC(=O)NCc1ccc(cc1)C(O)=O)N(C)S(C)(=O)=O)c1ccccc1 |r|
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NCc1ccc(cc1)C(O)=O)N(C)S(C)(=O)=O)c1ccccc1 |r|
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1ccc(cc1)C(O)=O |r|
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)C(=O)N[C@H](C)c1ccccc1)C(=O)NCc1ccc(cc1)C(O)=O |r|
NCCCCCCNCCOc1ccc(Br)cc1NC(=O)Cc1cccc2ccccc12
Brc1ccc(OCCNC2CCCCC2)c(NC(=O)Cc2cccc3ccccc23)c1
C[C@@H](NC(=O)c1cc2OCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc2OCCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc2OCCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)c2cc(C)oc2c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
COc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)N[C@H](C)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C#C)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C#Cc1ccccc1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1cn(Cc2ccccc2)nn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCS1(=O)=O)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCCS1(=O)=O)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc2oc(C)cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc2OCCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1ccsc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCCC1CCN(Cc2ccccc2)CC1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NC1CCN(Cc2ccccc2)CC1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCC1CCN(Cc2ccccc2)CC1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCCC4CCN(CC4)Cc5ccccc5)O
CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NN1CCN(Cc2ccccc2)CC1 |r|
CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O |r|
CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 |r|
C[C@@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccccc1 |r|
CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NCC1CCN(Cc2ccccc2)CC1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 |r|
CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NCCC1CCN(Cc2ccccc2)CC1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccccc1 |r|
C[C@@H](NC(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1 |r|
CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)NN1CCN(Cc2ccccc2)CC1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC1CCN(Cc2ccccc2)CC1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NCC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r|
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(n1)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(I)cc(n1)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(I)cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Cl)cc(n1)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cnc(N)[nH]1
COc1ccc(cc1)C(Cc1ccccc1)c1csc(N)n1
COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1csc(N)n1
COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cn(C)c(N)n1
COc1ccc(cc1F)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cnc(N)[nH]1
Nc1nc(cs1)C1(CCCC1)c1ccc(Cl)cc1
COc1ccc(cc1)C1(CCCC1)c1csc(N)n1
Nc1nc(cs1)C1(CCCC1)c1ccccc1
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N2)c1 |r|
C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CN[C@H]2CC(Oc3c2cc(cc3)C(C)C)(C)C)O)C)C
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1 |r|
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCC(=O)N[C@@H](C)C(=O)N1 |r|
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N[C@@H](C)C(=O)N1 |r|
CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)C(=O)NC(C)c2ccc(F)cc2)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)C(C)=O)c1 |r|
CO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2ccc(F)cc2)C(C)O)c1 |r|
CCCN(CCC)C(=O)c1cc(CC(COC)OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2ccc(F)cc2)C(C)=O)c1 |r|
CCCN(CCC)C(=O)c1cc(CC(C)O)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)O |r|
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OCc1ccccc1 |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC=C)N2CCCCS2(=O)=O)c1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)N=O |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(C)=O)N(C)S(C)(=O)=O)c1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)=O |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)C(=O)N[C@H](C)c2ccccc2)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(C)=O)N(c2ccccc2)S(C)(=O)=O)c1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
CCCN(CCC)C(=O)c1cc(Oc2ccc(F)cc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N(c2ccccc2)S(C)(=O)=O)C(C)N=O)c1 |r|
CCCO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(C)S(C)(=O)=O |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N(C)S(C)(=O)=O)C(C)N=O)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC(C)C)N(C)S(C)(=O)=O)c1 |r|
CCCO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(c1ccccc1)S(C)(=O)=O |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC=C)N(C)S(C)(=O)=O)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N2CCCCS2(=O)=O)C(C)O)c1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)S(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
CCCO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCc2ccccc2)N2CCCCS2(=O)=O)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(C)=O)N2CCCCS2(=O)=O)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC(C)C)N2CCCCS2(=O)=O)c1 |r|
CO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(=O)N[C@H](C)c1ccccc1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)C(C)O)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)N2CCCCS2(=O)=O)c1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)N |r|
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OCC(C)C |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)NC(C)c2ccc(F)cc2)C(\C)=N/OCC=C)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCc2ccccc2)N(C)S(C)(=O)=O)c1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OC |r|
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OCC=C |r|
CCCN(CCC)C(=O)c1cc(CCO)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
CCCN(CCC)C(=O)c1cc(Sc2ccccc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(C)NC(C)=O |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)C(\C)=N/OCC=C)c1 |r|
CO\N=C(\C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(=O)NC(C)c1ccc(F)cc1 |r|
CCCN(CCC)C(=O)c1cc(Oc2ccc(OC)cc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)N(c2ccccc2)S(C)(=O)=O)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCc2ccccc2)N(c2ccccc2)S(C)(=O)=O)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N(C)S(C)(=O)=O)C(C)O)c1 |r|
CCCN(CCC)C(=O)c1cc(Sc2ccc(OC)cc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(c2)N(C)S(C)(=O)=O)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)N2CCCCS2(=O)=O)C(C)N=O)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N\OCC(C)C)N(c2ccccc2)S(C)(=O)=O)c1 |r|
CCCN(CCC)C(=O)c1cc(Oc2ccccc2OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
CCCN(CCC)C(=O)c1cc(Oc2ccccc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC=C)N(c2ccccc2)S(C)(=O)=O)c1 |r|
CO\N=C(/C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(c1ccccc1)S(C)(=O)=O |r|
CO\N=C(/C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(C)S(C)(=O)=O |r|
CC(C)[C@H](NC(=O)C(C)CP(O)(O)C1=NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCCC1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,w:14.14|
CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)P(O)(=O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC(C)[C@H](NC(=O)CCC(O)(CCc1ccccc1)C(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
CC(C)[C@H](NC(=O)CCC(O)(Cc1ccccc1)C(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
C[C@@H](NC(=O)c1cc(NC(=O)CC[C@@](O)(Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc(c1)N(C)S(C)(=O)=O)c1ccccc1 |r|
CC(C)[C@H](NC(=O)CCC(O)(Cc1ccccc1)C(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
CC(C)[C@H](NC(=O)C(O)(CCC(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)CCc1ccccc1)C(=O)NCc1ccccc1 |r|
COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)CCC(O)(Cc2ccccc2)C(=O)Nc2cc(cc(c2)C(=O)N[C@H](C)c2ccc(F)cc2)N(C)S(C)(=O)=O)C(C)C)cc1 |r|
COC(=O)c1ccc(NC(=O)[C@@H](NC(=O)CCC(O)(Cc2ccccc2)C(=O)Nc2cc(cc(c2)C(=O)N[C@H](C)c2ccc(F)cc2)N(C)S(C)(=O)=O)C(C)C)cc1 |r|
C[C@@H](NC(=O)c1cc(NC(=O)C(O)(CCC(=O)N[C@@H]2[C@H](O)Cc3ccccc23)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
CC(C)[C@H](NC(=O)CCC(O)(Cc1ccccc1)C(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)Nc1ccc(cc1)C(O)=O |r|
CC(C)[C@H](NC(=O)C(O)(CCC(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)CCc1ccccc1)C(=O)Nc1ccccc1 |r|
C[C@@H](NC(=O)c1cc(NC(=O)CC[C@](O)(Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc(c1)N(C)S(C)(=O)=O)c1ccccc1 |r|
CC(C)[C@H](NC(=O)CCC(O)(CCc1ccccc1)C(=O)Nc1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
C[C@@H](NC(=O)c1cc(NC(=O)CCC(O)(CCc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc(c1)N(C)S(C)(=O)=O)c1ccccc1 |r|
Fc1ccc2nc(NC(=O)c3ccc4c(Nc5ccccc5NC4=O)c3)[nH]c2c1
O=C(Nc1ccncc1)c1ccc2c(Nc3ccccc3NC2=O)c1
O=C(Nc1nc(c[nH]1)-c1ccncc1)c1ccc2c(Nc3ccccc3NC2=O)c1
Fc1ccc(cc1)-c1c[nH]c(NC(=O)c2ccc3c(Nc4ccccc4NC3=O)c2)n1
Fc1ccc(NC(=O)c2ccc3c(Nc4ccccc4NC3=O)c2)cc1
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC1CC1)c1ccc(F)cc1 |r|
O=C(Nc1nc2ccncc2[nH]1)c1ccc2c(Nc3ccccc3NC2=O)c1
CO[C@@H](COCc1ccc(OC)cc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
CO[C@@H](COCc1ccccc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
CO[C@@H](COC(C)C)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
CO[C@@H](CO)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
CO[C@@H](CNCc1ccccc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
CO[C@@H](CNc1ccc(F)cc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
COC[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)OC |r|
CO[C@@H](COCc1ccc(OC)cc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C |r|
CO[C@@H](COCC1CC1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
CO[C@@H](CNCc1ccccc1)C[C@@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
CO[C@@H](CNc1ccccc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CCc1cn2CCS(=O)(=O)N(C)c3ccc(C(=O)N[C@@H](COc4cc(F)cc(F)c4)[C@@H](O)C[C@H](COCc4ccc(OC)cc4)OC)c1c23 |r|
CO[C@@H](COc1ccccc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
CO[C@@H](COCC=C)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
CO[C@@H](COCc1cccc(OC)c1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
CO[C@@H](COCc1ccc(F)cc1)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
CCCCNC(=O)NCc1ccc(CN2C(N)=NC(CCC3CCCCC3)(CC(C)C)C2=O)cc1 |c:16|
CCC[C@H]1CN(Cc2ccc(CN3C(N)=NC(CCC4CCCCC4)(CC4CCCCC4)C3=O)cc2)C(=O)N1 |r,c:14|
[H]/N=C(/N)\SCc1ccc(c(c1)Cl)OCCCC
CC1(C)N=C(N)N(Cc2cccc(Cl)c2)C1=O |t:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 |c:3|
CCCCNC(=O)NCc1ccc(CN2C(N)=NC(C)(CC(C)C)C2=O)cc1 |c:16|
CN1C(N)=N[C@](CCC2CCCCC2)(CC2CCCCC2)C1=O |r,c:3|
CCCCNC(=O)NCc1ccc(CN2C(N)=NC(CCc3ccccc3)(CC(C)C)C2=O)cc1 |c:16|
CCCCNC(=O)NCc1ccc(CN2C(N)=NC(C)(CC3CCCCC3)C2=O)cc1 |c:16|
CCCCNC(=O)NCc1ccc(CN2C(N)=NC(CC3CCCCC3)(CC3CCCCC3)C2=O)cc1 |c:16|
CCCCNC(=O)NCc1ccc(CN2C(N)=NC(CCC3CCCCC3)(CC3CCCCC3)C2=O)cc1 |c:16|
CC(C)CC1(C)N=C(N)N(Cc2ccc(CNC(=O)Nc3ccc(cc3)C#N)cc2)C1=O |t:6|
CC(C)CC1(C)N=C(N)N(Cc2cccc(Cl)c2)C1=O |t:6|
C[N@@](Cc1cccc(c1)CCc2cccnc2N)Cc3ccco3
CCC\C=C(/CC)CSC(N)=N
c1cc(cc(c1)Cl)CCc2cccnc2N
COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cccnc1F |t:10,17|
NC1=N[C@@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,t:1,4|
NC1=NC(C2=NOCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4|
NC1=NC(C2=NCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4|
NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(CCC2CC2)c1 |t:1,4|
CC(C)(C)c1cccc(c1)C1(N=C(N)N2CCCN=C12)c1ccccc1 |t:12,19|
NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(Cc2ccccc2)c1 |t:1,4|
CCOc1ccc(cc1OCC)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cccnc1F |t:14,21|
NC1=N[C@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,t:1,4|
NC1=NC(C2=NCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4|
NC1=NC(\C2=N\CCCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4|
CCCc1cccc(c1)C1(N=C(N)N2CCCN=C12)c1ccc(OC(F)(F)F)cc1 |t:11,18|
COc1ccc(Cc2cccc(c2)C2(N=C(N)N3CCCN=C23)c2ccccc2)cc1 |t:15,22|
NC1=N[C@@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 |r,t:1,4|
NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 |t:1,4|
c1ccc(cc1)C2(C3=NCCCN3C(=N2)N)c4ccccc4
COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cncnc1 |t:10,17|
NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(c1)C(F)(F)F |t:1,4|
COc1cccc(c1)C1(N=C(N)N2CCCN=C12)c1ccccc1 |t:10,17|
NC1=NC(C2=NCCCN12)(c1ccccc1)c1cccc(Cc2ccc(F)cc2)c1 |t:1,4|
NC1=NC(C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1 |t:1,4|
CC1(C)CN2C(N)=NC(C2=N1)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |c:6,10|
NC1=N[C@](C2=NCCCN12)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cncnc1 |r,t:1,4|
NC1=NC(C2=NCCCN12)(c1ccc2OCOc2c1)c1cccc(c1)-c1cccnc1F |t:1,4|
NC1=NC(C2=NCCCN12)(c1cccc(c1)-c1cccnc1F)c1ccc2OCCOc2c1 |t:1,4|
NC1=NC(C2=NCCCN12)(c1ccc2OC(F)(F)Oc2c1)c1cccc(c1)-c1cccnc1F |t:1,4|
COc1ccc(cc1)C(Cc1ccc(cc1)C(F)(F)F)c1cn(C)c(N)n1
COC1=CC2CCC(Cc3cc(ccc3OC)[N+]([O-])=O)(C2C=C1)c1cn(C)c(N)n1 |c:23,t:2|
COC1=CC2CCC(Cc3ccc(cc3)C(F)(F)F)(C2C=C1)c1cn(C)c(N)n1 |c:22,t:2|
COC1=C(F)C2CCC(Cc3ccc(cc3)C(F)(F)F)(C2C=C1)c1cn(C)c(N)n1 |c:2,23|
COc1ccc(cc1C#N)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:12|
COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F |r,t:11|
CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(c1)-c1cncnc1 |r,c:3|
COc1ncccc1-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1 |t:17|
CCCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:14|
COc1ccc(cc1Cl)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:11|
COc1ccc(cc1C(F)(F)F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:14|
COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 |t:11|
CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1F |c:3|
CCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:13|
CN1C(=O)[C@@](N=C1N)(c2ccccc2)C34CC5CC(C3)CC(C5)C4
COc1ccc(cc1OC(C)C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:14|
COc1ccc(cc1OC1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:17|
COc1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:10|
COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:11|
COc1ccc(cc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:12|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(Cl)c1 |c:3|
COc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:10|
CN1C(N)=NC(C1=O)(c1ccccc1)c1ccc(Cl)cc1 |c:3|
CCCCOc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:15|
CN1C(=O)[C@](N=C1N)(c2ccc(cc2)OC)C34CC5CC(C3)CC(C5)C4
COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |t:11|
CCOc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |t:11,TLB:9:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11|
COc1ccc(cn1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccc(OC(F)(F)F)cc1 |t:17|
COc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |r,t:10,TLB:8:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(C)c(c1)-c1cccnc1 |t:11|
COc1ccc(cc1C)C1(N=C(N)N(C)C1=O)c1ccc(C#N)c(c1)-c1cccnc1 |t:11|
CCCCOc1ccc(cc1)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |t:13,TLB:11:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2 |c:3,TLB:5:19:22:26.24.25,THB:24:23:20:26.25.27,24:25:22.23.28:20,27:25:22:28.19.20,27:19:22:26.24.25|
COc1ccc(cc1C1CCCC1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:16|
COc1ccc(cc1C)[C@@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |r,t:11,TLB:9:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccnc1)c1ccc2OCCOc2c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccc2OCCc2c1)c1cccc(c1)-c1cccnc1 |c:3|
CN1C(N)=NC(C1=O)(c1ccc2OCOc2c1)c1cccc(c1)-c1cccnc1 |c:3|
CCN1C(N)=NC(C1=O)(c1ccccc1)c1ccccc1 |c:4|
NC1=NC(C(=O)N1)(c1ccccc1)c1ccccc1 |t:1|
CN1C(N)=NC(C1=O)(c1ccc(OC(F)(F)F)cc1)c1cc(F)cc(c1)-c1cncnc1 |c:3|
CN1C(N)=N[C@@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1ccc(F)c(c1)-c1cncnc1 |r,c:3|
COc1ccc(cc1C)[C@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F |r,t:11|
COc1ccc(cc1F)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1 |t:11|
COc1ccc(cc1C)[C@]1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |r,t:11,TLB:9:17:20:24.22.23,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23|
CCc1cc(ccc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |t:12,TLB:10:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
COc1ccc(cc1OC)C1(N=C(N)N(C)C1=O)C12CC3CC(CC(C3)C1)C2 |t:12,TLB:10:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
NC1=NC(C2CCCCC2)(C(=O)N1CC1CCCO1)c1ccccc1 |t:1|
CN1C(N)=NC(C2CCCCC2)(C1=O)c1ccccc1 |c:3|
CN1C(N)=NC(C2CCCCC2)(C2CCCCC2)C1=O |c:3|
CCCC(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 |t:14|
COCC(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 |t:14|
COCCC(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 |t:15|
COc1cccc(c1)C(=O)Nc1cccc(c1)C1(N=C(N)N(C)C1=O)C1CCCCC1 |t:20|
CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2ccc3OCOc3c2)c1 |c:3|
CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2ccco2)c1 |c:3|
CCCCCCN1C(N)=NC(C2CCCCC2)(C1=O)c1ccccc1 |c:8|
NC1=NC(C2CCCCC2)(C(=O)N1C[C@H]1CC[C@@H](CC1)C(O)=O)c1ccccc1 |r,wU:14.15,wD:17.22,t:1,(23.53,3.34,;24.5,2.14,;24.09,.65,;25.38,-.19,;26.71,-.96,;26.7,-2.49,;28.03,-3.26,;29.36,-2.5,;29.36,-.96,;28.03,-.19,;26.58,.77,;28.07,.37,;26.03,2.21,;26.82,3.54,;28.36,3.52,;29.14,4.84,;30.69,4.81,;31.44,3.47,;30.64,2.15,;29.11,2.17,;32.98,3.45,;33.73,2.1,;33.77,4.77,;24.04,-.95,;22.71,-.16,;21.37,-.92,;21.36,-2.46,;22.7,-3.24,;24.03,-2.48,)|
CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2occc2C)c1 |c:3|
NC1=NC(C2CCCCC2)(C(=O)N1CCCCCC(O)=O)c1ccccc1 |t:1|
NC1=NC(C2CCCCC2)(C(=O)N1Cc1ccccc1)c1ccccc1 |t:1|
CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(NC(=O)c2cccn2C)c1 |c:3|
NC1=NC(C2CCCCC2)(C(=O)N1Cc1cc(F)cc(F)c1)c1ccccc1 |t:1|
CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O
CCCS(=O)(=O)N(C)c1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c2)c1)[C@H](O)CNCc1cccc(c1)C(C)C)c3 |r|
COCc1cc2cc(OCCCCOc3cccc(C[C@H](NC2=O)[C@H](O)CNC2(CC2)c2cccc(c2)C(C)C)c3)n1 |r|
CC(C)c1cccc(c1)C(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cc(cc(C)n3)C(=O)N1)c2 |r|
COCC(NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCNc3cc(COC)cc(c3)C(=O)N1)c2)c1cccc(c1)C(C)(C)C |r|
CC(C)c1cccc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cc(cc(C)n3)C(=O)N1)c2 |r|
COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC(c1cccc(c1)C(C)(C)C)C(F)(F)F)c3 |r|
COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC(CF)c1cccc(c1)C(C)(C)C)c3 |r|
CC(C)c1cccc(c1)C1(CC1)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCOc3cc(cc(c3)C(=O)N1)N1CCCC1=O)c2 |r|
COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC(C)(C)c1cccc(c1)C(C)C)c3 |r|
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCNc4cc(cc(C)n4)C(=O)N2)c3)c1 |r|
CCCS(=O)(=O)N(C)c1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c2)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C)c3 |r|
COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CCCC1)c1cccc(c1)C(C)(C)C)c3 |r|
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCOc4cc(cc(C)n4)C(=O)N2)c3)c1 |r|
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCNc4cc(cc(c4)C(=O)N2)N2COC=C2)c3)c1 |r,c:40|
COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CCC1)c1cccc(c1)C(C)(C)C)c3 |r|
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2Cc3cccc(OCCCCNc4cccc(c4)C(=O)N2)c3)c1 |r|
COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNCc1cccc(c1)C(C)C)c3 |r|
CO[C@H](C[C@@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CO[C@H](CC[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CO[C@H](C[C@H](N=[N+]=[N-])[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CO[C@H](C[C@H](N)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CCO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)OCC=C)C(=O)NCc1ccccc1 |r|
C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](COc3cc(cc(c3)F)F)[C@H](C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc4ccccc4)OCCOC)O
CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)OCC1CC1)C(=O)NCc1ccccc1 |r|
CCCO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)Nc1ccccc1 |r|
CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)NCc1ccccc1 |r|
CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)NCC(C)C |r|
CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)NC1CC1 |r|
CO[C@H](C[C@H](O)[C@H](COc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CO[C@H](C[C@H](O)[C@H](COc1ccc(Br)cc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CO[C@H](C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](OC)C(=O)NC1CC1 |r|
CO[C@H](C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](OC)C(=O)NC1CC1 |r|
CO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)Nc1ccc(F)cc1 |r|
[#6]-[#8]-[#6](=O)-[#6]-[#6]-c1c(-[#8])cc2occc2c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2occc2cc2ccc(=O)oc12
[#6]-[#8]-c1cc2occc2c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#6]-[#6]-[#6](-[#8])=O
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12
[#6]-[#8]-[#6](=O)-[#6]-[#6]-c1c(-[#8]-[#6])cc2occc2c1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c(-[#6]-[#6]-[#6](-[#8])=O)c(-[#8])cc2occc12
CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(F)cc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@@H](C)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
C[C@H](C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NC1CC1 |r|
CNC(=O)c1cc(cc(c1)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1)N(C)S(C)(=O)=O |r|
CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(C)=O |r|
CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCC2=O)c1 |r|
CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(C)=O)C(C)C |r|
CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
CCCCNC(=O)[C@H](C)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(=O)C)O
CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCCC2=O)c1 |r|
CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)[C@@H](NC(C)=O)C(C)C |r|
CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(C)=O)c1 |r|
CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)C1(CCCC1)NC(C)=O |r|
CCC(=O)NC(C)(C)[C@H]1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(c1)C(C)C |r|
CCC(=O)N(C)C(C)(C)[C@H]1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(c1)C(C)C |r|
C[C@@H](NC(=O)c1cc(CNC(=O)C(C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)OCC(O)(CN)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)NCC(O)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1nc(no1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
COCC(N)(COCc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)Cc1ccccc1 |r|
C[C@@H](NC(=O)c1cc(COC[C@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(COC[C@H](N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1ncc(o1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1ccc(o1)C(C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc([nH]1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(CNC(=O)C(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(COCC(N)(CF)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(COCC(N)(Cc2ccccc2)C(F)F)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)S(=O)(=O)CCC(N)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(CNC[C@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(CCC[C@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(NCCC(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(SCCC(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(COC(=O)C(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(OCCC(N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-n1cc(nn1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1noc(n1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
CCC(N)(COCc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)Cc1ccccc1 |r|
CNC(CO)(COC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)Cc1ccccc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(s1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)NCC(N)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cccnc4
CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccccc1 |c:3|
CN1C(N)=N[C@](C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |r,c:3|
CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |c:3|
CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(F)c1F |c:3|
COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccncc1 |t:17|
CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccnc1F |c:3|
CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cnccn1 |c:3|
CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccoc1 |c:3|
CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)cc(F)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1ccsc1 |c:3|
CN1C(N)=N[C@@](C1=O)(c1ccncc1)c1cccc(c1)-c1cc(F)ccc1F |r,c:3|
CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(F)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(c1)C#N |c:3|
CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(OC(F)(F)F)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1ccncc1 |c:3|
Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccccn3)cc2)n1
Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccnc3)cc2)n1
Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1NCCO
Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccs3)cc2)n1
Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccnn3)cc2)n1
Nc1cccc(Cn2c(ccc2-c2ccccc2)-c2ccccc2)n1
COc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cnccn3)cc2)n1
Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)n1
CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(OCCO)c(N)n1
CCCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1
Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Nc3cncnc3)cc2)n1
CCCCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1
CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1
Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(OCCCC#N)cc2)n1
CCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1
Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NC2CCC2)-c2ccccc2)n1
CC(C)NC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1
Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NC2CC2)-c2ccccc2)n1
Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1
Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccccc3)cc2)n1
CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCCO)c(N)n1
CCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1OCCO
Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccncc3)cc2)n1
CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1
CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccc(Cl)cc1Cl |r|
CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C |r|
CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)[N+]([O-])=O |r|
CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCOc2c1 |r|
CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F |r|
COc1ccc(cc1OC)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C |r|
CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F |r|
CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccc(cc1)[N+]([O-])=O |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)cc1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(OC)c1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(Cl)c1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(C)cc1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1C |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3CN(CCN3)C(=O)c4ccccc4)O)C
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cnc(C)n1C |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)Cc4ccccc4)O)C
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(OC)c(OC)c1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CNCCN1 |r|
COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(C)(=O)=O |r|
COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)C1CC1 |r|
COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)Cc1ccccc1 |r|
COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cn(C)cn1 |r|
COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(Cl)s1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccncc1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cnoc1C |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cn(C)cn1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccs1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(cc1)C#N |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(OC)cc1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(C)(=O)=O |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)CCC |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1Cl |r|
Cc1cccc(c1)S(=O)(=O)[N@]2CCN[C@H](C2)[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)c4cc(cc(c4)C(=O)N5CCC[C@@H]5COC)C)O
COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccc1 |r|
COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(Cl)c1 |r|
CCCCN1CC(CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1)N1CCCCS1(=O)=O |r|
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1)N(C)S(C)(=O)=O |r|
COC[C@H]1CCCN1C(=O)CCCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccc(C)c1)N1CCCCS1(=O)=O)c1ccccc1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccnc1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1c(C)noc1C |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1c(C)nn(C)c1C |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1sc(C)nc1C |r|
COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccccn1 |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=O)o[nH]1 |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=O)o[nH]1 |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=S)o[nH]1 |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nc(=S)o[nH]1 |r|
NC1=Nc2ccc3Oc4cccc(CCCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,t:1|
NC1=Nc2ccc3Oc4cccc(CCN([C@H]5CC[C@@H](CC5)C(O)=O)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,wU:29.30,19.22,wD:16.15,t:1,(5.63,-16.54,;4.29,-15.78,;2.95,-16.55,;1.62,-15.78,;.29,-16.55,;-1.05,-15.78,;-1.04,-14.24,;-2.38,-13.45,;-2.37,-11.98,;-3.7,-11.21,;-3.7,-9.67,;-2.37,-8.9,;-1.04,-9.66,;.39,-8.91,;1.74,-9.72,;3.12,-8.97,;3.15,-7.43,;4.51,-6.7,;4.54,-5.17,;3.23,-4.36,;1.88,-5.09,;1.84,-6.64,;3.27,-2.82,;4.63,-2.08,;1.96,-2.01,;4.45,-9.78,;5.8,-9.04,;4.42,-11.35,;5.73,-12.15,;5.69,-13.6,;6.96,-14.46,;6.98,-15.99,;8.31,-16.74,;9.63,-15.96,;9.62,-14.42,;8.28,-13.66,;4.29,-14.23,;2.95,-13.46,;1.62,-14.23,;.28,-13.47,;-1.03,-11.21,)|
NC1=Nc2cc(F)c3Oc4cccc(CCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,t:1|
NC1=Nc2cnc3Oc4cccc(CCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,t:1|
NC1=Nc2ccc3Oc4cccc(CCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,t:1|
NC1=Nc2ccc3Oc4cccc(CCN([C@H]5CC[C@H](CC5)C(O)=O)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,wU:29.30,wD:16.15,19.22,t:1,(9.57,-14.62,;8.24,-13.86,;6.9,-14.63,;5.57,-13.86,;4.24,-14.63,;2.9,-13.86,;2.9,-12.32,;1.57,-11.53,;1.58,-10.06,;.25,-9.29,;.25,-7.75,;1.58,-6.98,;2.91,-7.74,;4.34,-6.99,;5.68,-7.8,;7.07,-7.05,;7.1,-5.51,;8.45,-4.78,;8.49,-3.25,;7.18,-2.44,;5.83,-3.17,;5.78,-4.72,;7.22,-.9,;8.58,-.16,;5.91,-.09,;8.4,-7.86,;9.75,-7.12,;8.37,-9.43,;9.68,-10.23,;9.64,-11.68,;10.91,-12.54,;10.93,-14.06,;12.26,-14.82,;13.58,-14.04,;13.57,-12.5,;12.23,-11.74,;8.23,-12.3,;6.9,-11.54,;5.57,-12.31,;4.23,-11.55,;2.92,-9.29,)|
NC1=Nc2ccc3Oc4cccc(CCCN(C5CCCCC5)C(=O)CC[C@H](C5CCCCC5)N1Cc2c3)c4 |r,t:1|
COc1cc2N=C(N)N3Cc2cc1Oc1cccc(CCN(C2CCCCC2)C(=O)CC[C@H]3C2CCCCC2)c1 |r,t:5|
CC(C)[C@@H]1CCC(=O)N(CCc2cccc(Oc3ccc4N=C(N)N1Cc4c3)c2)C1CCCCC1 |r,t:21|
CC(C)[C@@H]1CCC(=O)N(CCc2cccc(Oc3ccc4N=C(N)N1Cc4c3)c2)C1CCOCC1 |r,t:21|
NC1=Nc2ccc3Oc4cccc(CCN(C5CCOCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,t:1|
Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4c(Oc23)c(O)cc2oc3c(Oc5cc(O)cc(O)c5)c(O)cc(O)c3c42)c1
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
c1c(cc(cc1O)O)O
Oc1cc(O)c(Oc2cc(O)c3Oc4c(Oc5cc(O)cc(O)c5)c(O)cc(O)c4Oc3c2)c(O)c1
Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1
Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)cc(O)c2)c(O)c1
Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(O)c4Oc23)c1
Oc1cc(O)c2oc3c(oc2c1)c(O)cc1oc2c(O)cc(O)cc2oc31
CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
CC(C)C1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r,c:21,t:16|
CCCC1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r,c:21,t:16|
CC1=C(C(C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N1S(C)(=O)=O)c1ccccc1)C(=O)NOCc1ccccc1 |r,t:1,24|
CC(C)OC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNc2cccc(F)c2)=C1C)C(C)=O |r,c:9,37|
CC(C)OC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(C)=O |r,c:9,33|
CC(C)OC(=O)CN1C=C(C(C)C(C(C)=O)=C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(F)c1 |r,c:8,15|
CCOC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(=O)NOCc1ccccc1 |r,c:8,32|
COC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(=O)NOCc1ccccc1 |r,c:7,31|
CC(C)OC(=O)CN1C=C(C(C)C(=C1)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:8,12|
COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C2=CN(CC(=O)OC(C)C)C(C)=C(C2C)C(C)=O)c1 |r,c:35,t:24|
CC(C)OC(=O)CN1C(C)=C(C(C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C1C)C(=O)NOCc1ccccc1 |r,c:9,33|
CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(OC)c1 |r,c:4,14|
CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:19,t:7|
CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:4,14|
CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)NC(C)c1ccccc1 |r,c:4,14|
CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(OC)c1 |r,c:19,t:7|
CC(C)OC(=O)CN1C=C(C(C)C(=C1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)NC(C)c1ccccc1 |r,c:8,12|
CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(F)c1 |r,c:19,t:7|
CC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(CCCOC(C)=O)C(C)=C1C(=O)OCc1ccccc1 |r,c:34,t:22|
CCCC1C(=CN(CC(=O)OC(C)C)C=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(OC)c1)C(=O)NC(C)c1ccccc1 |r,c:4,14|
CCCC1C(C(C)=O)=C(C)N(CC(=O)OC(C)C)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r,c:19,t:7|
CC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(CC(=O)N2CCOCC2)C(C)=C1C(=O)OCc1ccccc1 |r,c:37,t:22|
CC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(CC(=O)N(C)C)C(C)=C1C(=O)OCc1ccccc1 |r,c:33,t:22|
CC(C)OC(=O)CN1C=C(C(C)C(C(=O)OCc2ccccc2)=C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:8,23|
CC(C)N(C)C(=O)CN1C(C)=C(C(C)C(C(=O)OCc2ccccc2)=C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:10,25|
CCC1C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CC2)=C(C)N(C(C)=C1C(=O)NC(C)c1ccccc1)S(C)(=O)=O |r,c:28,t:23|
C[C@@H](NC(=O)C1=C(C)N(C(C)=C(C1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O)c1ccccc1 |r,c:5,10|
CCC1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r,c:20,t:15|
CC1C(C(=O)NOCc2ccccc2)=C(C)N(C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r,c:19,t:14|
Clc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3cccc(c3)C(=O)NCCc3ccccc3)c2)cc1
Cc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3cccc(c3)C(=O)NCCc3ccccc3)c2)cc1
OCCNc1nc(NNC(CC(O)=O)c2ccccc2)nc(n1)N1CCOCC1
CCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)NCC(O)=O)ccc12
Cc1c(O)ccc2c(C)c(CC(=O)N[C@H](CCCNC(N)=O)C(O)=O)c(=O)oc12 |r|
CCc1cc(=O)oc2c(C)c(OC(=O)NCC(=O)NCC(O)=O)ccc12
CC1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N1CCOCC1
Cc1ccc(NC(=O)c2cc(NC(=O)CCCC(O)=O)ccc2N2CCOCC2)cc1
Oc1c(cnc2ccc(cc12)S(=O)(=O)N1CCc2ccccc2C1)C(=O)NCCc1ccccc1
Clc1ccc(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4cc(Br)ccc4n3)cc2)c(c1)C(=O)c1ccccc1
CC(=O)Nc1cc(ccc1Sc1ccc(Cl)cc1)C(=O)NCc1cc(F)cc(Cl)c1
CCSc1scc(CC)c1C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccc(Br)cn1 |c:21,24|
FC(F)(F)c1cc(NC(=O)C(NS(=O)(=O)c2cccs2)c2ccccc2)ccc1Cl
CN(c1cccc(C)c1)S(=O)(=O)c1ccc2ncc(C(=O)NCCN3CCOCC3)c(O)c2c1
Cc1ccc(cc1)C(=O)Nc1cccc(NC(=O)C[n+]2cccc(c2)C(=O)NCCc2ccccc2)c1
Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(O)=O)c(=O)oc2cc(O)ccc12 |r|
Cc1cc(O)c2c(C)c(CC(=O)N[C@H](CCCNC(N)=O)C(O)=O)c(=O)oc2c1 |r|
COc1cc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCOCC2)cc(Br)c1O |w:7.7|
Cc1cc(Br)c(Nc2nc(CN3CCOCC3)nc(N=NCc3cc(I)cc(C)c3O)n2)cc1Cl |w:19.19|
Cc1ccc(cc1)C(=O)Nc1cccc(NC(=O)C[n+]2ccccc2)c1
C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(c1)C(=O)N(C=C)C=C)c1ccccc1 |r|
NNC(=O)CN1C(c2ccccc2)c2cc(Br)ccc2N=C1CN1CCOCC1 |c:22|
Clc1ccc(CCNC(=O)C2CCC(CNc3[nH]c(=S)nc4ccccc34)CC2)cc1 |(-3.6,-3.41,;-2.27,-2.63,;-2.27,-1.09,;-.94,-.32,;.39,-1.09,;1.72,-.32,;1.72,1.22,;.38,1.99,;.38,3.53,;1.71,4.3,;-.96,4.3,;-2.29,3.53,;-3.62,4.29,;-3.63,5.84,;-4.96,6.6,;-6.29,5.83,;-6.28,4.29,;-4.93,3.51,;-4.93,1.95,;-3.59,1.19,;-6.27,1.18,;-7.61,1.94,;-8.95,1.18,;-10.29,1.95,;-10.28,3.49,;-8.96,4.26,;-7.62,3.5,;-2.3,6.61,;-.96,5.84,;.4,-2.62,;-.93,-3.4,)|
NC(=O)c1ccc[n+](CC(=O)Nc2cccc(c2)C(=O)Nc2ccc(Cl)cc2)c1
COc1ccc(cc1Cl)-n1nc(C(=O)NCC(=O)Nc2cccc(C)n2)c2ccccc2c1=O
CC(C)c1ccc(cc1)-c1csc(Nc2ccc(cc2)S(=O)(=O)Nc2nc(C)cc(C)n2)n1
NC(=O)c1ccc[n+](CC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1
COc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3cccc(c3)C(N)=O)c2)cc1
CCOc1cc(cc(Br)c1O)C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)OCc1ccccc1 |c:22,25|
CSc1ccc(cc1)C(O)C(CO)NC(=O)c1cc2C(=O)CC(C)(C)Cc2n(-c2ccc(Cl)cc2)c1=O
CCN1CCN(CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccc(Cl)cc2)c3=O)CC1
Oc1ccc(cc1CN1CCN(Cc2cc(ccc2O)-c2ccccc2)CC1)-c1ccccc1
CC(NC(=O)NCCNC(=O)NC(C)C(O)=O)C(O)=O
CCOc1cc(C=NNC(=O)COc2ccc(C)cc2)cc(I)c1O |w:6.5|
CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(COCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1
COc1cccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)c1O
COc1cc(\C=N/NC(=O)c2ccccc2OCCOc2ccccc2)cc(Br)c1O
OC(CNC(=O)c1ccccc1NC(=O)c1ccccc1)CNC(=O)c1ccccc1NC(=O)c1ccccc1
OC(=O)c1cc(ccc1O)-c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(n2)N2CCCCC2)o1 |w:16.17|
Cc1ccc(Nc2nc(CN3CCOCC3)nc(N=NCc3cc(Br)cc(Br)c3O)n2)cc1 |w:18.18|
Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 |w:11.12|
O=C(CCCCC1SCCS1)N1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
COc1cc(CN=Nc2nc(Nc3ccc(F)cc3)nc(n2)N2CCCCC2)ccc1OCC(O)=O |w:6.5|
CCCCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
COc1cc2[nH]c(=O)n(Cc3ccc(cc3)C(=O)NCc3ccc(C)cc3)c(=O)c2cc1OC
CCc1ccc(cc1)N1C(=O)Nc2ccc(Br)cc2C1(O)C(=O)NCC(C)CN1CCC(C)CC1
CN(C)CCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCc2ccccc2C1
Oc1c(I)cc(I)cc1CN=Nc1nc(Nc2cccc3ccccc23)nc(n1)N1CCOCC1 |w:11.12|
CN(C)c1nc(N=NCc2cc(I)cc(I)c2O)nc(n1)N1CCOCC1 |w:6.5|
Clc1ccc(CNc2nc(N=NCc3ccc(Cl)cc3)nc(n2)N2CCOCC2)cc1 |w:10.9|
Fc1ccc(CNC(=O)c2ccc(N3CC4CC(C3)c3cccc(=O)n3C4)c(NS(=O)(=O)c3ccc4OCCOc4c3)c2)cc1
O=C(NCc1ccccc1)c1ccc(N2CC3CC(C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3OCCOc3c2)c1
Clc1ccc(CNC(=O)c2ccc(N3CC4CC(C3)c3cccc(=O)n3C4)c(NS(=O)(=O)c3ccc4OCCOc4c3)c2)cc1
Cc1ccc(CNC(=O)c2ccc(N3CC4CC(C3)c3cccc(=O)n3C4)c(NS(=O)(=O)c3ccc4OCCOc4c3)c2)cc1
Clc1ccccc1CNC(=O)c1ccc(N2CC3CC(C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc3OCCOc3c2)c1
CC1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCCN3CCCC3)c2c1
Clc1ccc(CCNC(=O)c2ccc(Cn3c(=S)[nH]c4ccc(cc4c3=O)N3CCOCC3)cc2)cc1
Clc1ccc(cc1)C1SCC(=O)N1Nc1nc(Nc2ccccc2)nc(n1)N1CCCCC1
CCN1CCCC1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1cccc(Br)c1)c2=O
Clc1nc(NCCN2CCOCC2)nc(NCc2ccc(I)cc2)n1
Oc1c(cnc2ccc(cc12)S(=O)(=O)NC1CCCCNC1=O)C(=O)NCc1ccccc1
Cc1ccc(C)c(Nc2nc(N=NCc3cc(Br)c(O)c(Br)c3C)nc(n2)N2CCOCC2)c1 |w:11.10|
FC(F)(F)C(F)(F)C(F)(F)Sc1ccccc1NC(=O)CC1Sc2ccccc2NC1=O
CCOc1nc(NCCN2CCOCC2)nc(NNc2ccc(I)cc2C)n1
Oc1c(I)cc(I)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 |w:11.12|
OC(=O)CCCNC(=O)CCCCC(=O)C(c1ccccc1)c1ccccc1
Cc1ccc(Nc2nc(N=NCc3ccc(Cl)c(Cl)c3)nc(n2)N2CCOCC2)c(Cl)c1 |w:9.8|
CCOC(=O)C(Cc1ccc(O)cc1)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Cc1ccc(Nc2nc(N=NCc3cccc(Br)c3)nc(n2)N2CCOCC2)cc1 |w:9.8|
CCc1ccc(Sc2c(N)c3C(=O)c4ccccc4C(=O)c3c(N)c2Sc2ccc(CC)cc2)cc1
Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1Cl |w:7.7|
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)cc1
COc1nc(NCCN2CCOCC2)nc(Nc2ccc(I)cc2)n1
COc1ccc(OC)c(c1)\N=c1/oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccc(Cl)cc1
Cc1ccc(Nc2nc(N=NCc3cc(Br)cc(Br)c3O)nc(n2)N2CCOCC2)cc1Cl |w:9.8|
Cc1ccc(C)c(Nc2nc(N=NCc3cc(Br)cc(Br)c3O)nc(n2)N2CCOCC2)c1 |w:11.10|
Oc1c(Br)cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1Br |w:8.8|
Oc1c(I)cc(I)cc1C=NNC(=O)CN1CCN(Cc2ccccc2)CC1 |w:9.9|
CCc1ccc(cc1)N1C(=O)Nc2ccc(Br)cc2C1(O)C(=O)NCc1ccccc1
CCCCCCc1nc2ccccc2c(=O)n1NC(O)c1c(O)c2cccc3CCCn(c23)c1=O
CCN1CCCC1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O
CC(C)C(NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(O)=O
COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NC(CCSC)C(=O)NNC(=O)Sc1nc2ccccc2s1
CC(C)C(NC(=O)CNC(=O)c1cc(oc1C)-c1ccccc1)C(O)=O
CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC(O)=O)ccc12
FC(F)(Cl)Oc1ccc(Nc2nc(NCc3ccccc3)nc(n2)N2CCCCC2)cc1
Oc1c(I)cc(I)cc1CN=Nc1nc(NCc2ccccc2)nc(n1)N1CCOCC1 |w:11.12|
Clc1ccc(CN=Nc2nc(Nc3cccc(Br)c3)nc(n2)N2CCOCC2)cc1 |w:7.7|
CCSc1sc(CC)cc1C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccc(C)cn1 |c:21,24|
NS(=O)(=O)c1ccc(CCNC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)cc1
CC1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccc(cc12)S(=O)(=O)N1CCCCC1
OC(=O)c1cccc(c1)-c1ccc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCCCC2)o1 |w:15.16|
OC(=O)c1cc(ccc1Cl)-c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(n2)N2CCOCC2)o1 |w:16.17|
OC(=O)c1cc(ccc1Cl)-c1ccc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCCCC2)o1 |w:16.17|
NS(=O)(=O)c1ccc(NC(=O)CSc2nc3sc4CCCCc4c3c(=O)n2CC=C)cc1
COc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3ccccc3)c2)cc1
Clc1ccc(NC(=O)c2cccc(NC(=O)C[n+]3ccccc3)c2)cc1
C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3cccc(O)c3cc21 |r,t:9|
C[C@@]12CC[C@@H](O)[C@@H]3COC(=C13)C(=O)c1cc3c(OCCO)cccc3cc21 |r,t:9|
C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3c(O)cccc3cc21 |r,t:9|
C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3c(OCCO)cccc3cc21 |r,t:9|
COc1cccc2cc3C(=O)C4=C5[C@@H](CO4)[C@@H](O)CC[C@@]5(C)c3cc12 |r,t:11|
C[C@@]12CCCc3coc(c13)C(=O)c1cc3ccccc3cc21 |r|
C[C@@]12CC[C@@H](O)[C@@H]3COC(=C13)C(=O)c1cc3ccccc3cc21 |r,t:9|
C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3ccccc3cc21 |r,t:9|
CC[C@@H](CC(=O)NCc1cccc(F)c1)n1c(N)nc2cc(Cl)ccc12 |r|
CC(C)C[C@@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 |r|
CC[C@@H](CC(=O)NCc1ccc(F)cc1)n1c(N)nc2cc(Cl)ccc12 |r|
CC[C@@H](CC(=O)N[C@@H](COC(C)(C)C)C(=O)OC)n1c(N)nc2cc(Cl)ccc12 |r|
CC[C@@H](CC(=O)N[C@H](COC(C)(C)C)C(=O)OC)n1c(N)nc2cc(Cl)ccc12 |r|
CC(C)C[C@@H](CC(=O)NCc1ccccn1)n1c(N)nc2cc(Cl)ccc12 |r|
Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCc1ccccc1
CC[C@@H](CC(=O)N[C@@H](COC(C)(C)C)C(O)=O)n1c(N)nc2cc(Cl)ccc12 |r|
CN(C1CCCCC1)C(=O)CCCn2c3ccc(cc3nc2N)Cl
Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCc1ccccn1
Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCC1CCCCC1
CN1CCC(CC1)NC(=O)CCCn1c(N)nc2cc(Cl)ccc12
Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCc1cccc(F)c1
Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCC1CC1
Nc1nc2ccc(Cl)cc2[nH]1
Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCCC1CCNC1
CC[C@@H](CC(=O)NCc1ccccn1)n1c(N)nc2cc(Cl)ccc12 |r|
CC[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)n4c5ccc(cc5nc4N)Cl
CC[C@@H](CC(=O)NCCC(C)(C)C)n1c(N)nc2cc(Cl)ccc12 |r|
COn1c(nc2ncccc12)-c1ccccc1
CN(Cc1cccc(F)c1)C(=O)CCCn1c(N)nc2cc(Cl)ccc12
CC[C@@H](CC(=O)NCCN1CCOCC1)n1c(N)nc2cc(Cl)ccc12 |r|
c1cc2c(cc1Cl)nc(n2CCCO)N
CN(CC1CCCCC1)C(=O)CCCn1c(N)nc2cc(Cl)ccc12
CC[C@@H](CC(=O)NCC1CC1)n1c(N)nc2cc(Cl)ccc12 |r|
CC(C)C[C@@H](CC(=O)NCc1cccc(F)c1)n1c(N)nc2cc(Cl)ccc12 |r|
Clc1cccc(c1)-c1cnc2ncccn12
CC[C@H](CC(=O)NCc1ccccc1)n1c(N)nc2cc(Cl)ccc12 |r|
CC[C@@H](CC(=O)NCCC1CCNC1)n1c(N)nc2cc(Cl)ccc12 |r|
c1nc2ncccn2c1-c1ccncc1
CC(C)NC(=O)CCCn1c(N)nc2cc(Cl)ccc12
CC[C@@H](CC(=O)NCc1ccccc1)n1c(N)nc2cc(Cl)ccc12 |r|
CC[C@@H](CC(=O)NCC1CCCCC1)n2c3ccc(cc3nc2N)Cl
OC1(O)C(=O)c2ccccc2C1=O
Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCCN1CCOCC1
CC(C)C[C@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 |r|
CC[C@@H](CC(=O)N(C)CC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r|
CC[C@@H](CC(=O)NCC1CCOCC1)n1c(N)nc2cc(Cl)ccc12 |r|
CC[C@@H](CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc12 |r|
CC(C)C(\C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4C[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)OS([O-])(=O)=O)C(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cnn(CC(C)(C)C)c1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1ncc(o1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1csc(CC(C)(C)C)n1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(NS(C)(=O)=O)cc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cn(CC(C)(C)C)nn1 |r|
COc1cc(cc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cc(CC(C)(C)C)c[n+]([O-])c1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1nc(CC(C)(C)C)cs1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1ccn(CC(C)(C)C)n1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1nc(co1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cc(ccn1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(CC(C)(C)C)c1 |r|
CC(C)c1cc(cs1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
CC(C)c1ccc(s1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccs1 |r|
CC(C)c1csc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CC2)c3cc(cs3)CC(C)(C)C)O
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(CC(C)(C)C)c1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(I)cc(c1)C(C)(C)C |r|
CCc1csc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(Br)cc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(cs1)C#C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1ccc(Br)c(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(C)cc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(N)cc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cncc(CC(C)(C)C)c1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(cc(c1)C(C)(C)C)C(C)=O |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(F)cc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(O)cc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1ccc(CC(C)(C)C)s1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cnn(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cnn(CC(C)(C)C)c1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1nc(co1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1ncc(o1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cn(nn1)C12CC3CC(CC(C3)C1)C2 |r,TLB:26:29:32.31.36:34,THB:30:31:34:38.29.37,30:29:32.31.36:34,26:29:32:36.35.34,37:29:32:36.35.34,37:35:32:38.30.29|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cn(C[Si](C)(C)C)nn1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1ccccc1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(CC(C)(C)C)cs1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(cs1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(CC(C)(C)C)no1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(ncn1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(no1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1cccn1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCOC1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)C1CCOC1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)-n1cccn1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC(C)(C)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(CF)CF |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F |r|
C[C@@H]1C[C@]1(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C(F)F |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)CF |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCC1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(=C)C(F)(F)F |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1CCOC1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)-n1cccn1 |r|
CCOc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCCCC4)N4CCCCC4)cc3s2)cc1
COc1ccc(OC)c(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCCCC4)N4CCCCC4)cc3s2)c1
COc1ccc(CCNC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCCCC4)N4CCCCC4)cc3s2)cc1OC
O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1)NCc1ccccc1
O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCOCC3)N3CCOCC3)cc2s1)N1c2ccccc2CCc2ccccc12
O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCCC3)N3CCCCC3)cc2s1)Nc1ccccc1
CCOc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCOCC4)N4CCOCC4)cc3s2)cc1
Cc1cccc(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCCC4)N4CCCC4)cc3s2)c1C
O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1)NCCOc1ccccc1
Fc1ccc(cc1)C(=O)CSc1nc2ccc(Nc3nc(nc(n3)N3CCCCC3)N3CCCCC3)cc2s1
Cc1cc(C)c(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCOCC4)N4CCOCC4)cc3s2)c(C)c1
O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1)c1ccccc1
CCOC(=O)CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1
O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1)Nc1ccccc1
O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCCC3)N3CCCC3)cc2s1)NCc1ccco1
O=C(CSc1nc2ccc(Nc3nc(nc(n3)N3CCOCC3)N3CCOCC3)cc2s1)NCc1ccccc1
Clc1ccccc1NC(=O)CSc1nc2ccc(Nc3nc(nc(n3)N3CCOCC3)N3CCOCC3)cc2s1
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCF |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCF |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCC(F)F)c1 |r,c:3|
[#6]-[#7]-1-[#6](-[#7])=[#7][C@]([#6]-1=O)(c1ccc(-[#8]-[#6](F)F)cc1)c1ccc(F)c(-[#8]-[#6]-[#6]\[#6]=[#6](\F)F)c1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\C2CC2)c1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCCC(F)F)c1 |r,c:3|
C[C@@H](O)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCO |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CC(F)F)c1 |r,c:3|
CCCCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:12|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3|
COCC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |r,t:14|
COCCC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:15|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CCF)c1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(F)CCCF |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CCO)c1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCC(F)F)c1 |r,c:3|
CC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:11|
CCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:12|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OCCF)cc1)c1cccc(c1)-c1cccnc1F |r,c:3|
CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OC(F)(F)F)cc1 |r,c:3|
COCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:14|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCO |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#C |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CCCCC1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(\C=C\CCCO)c1 |r,c:3|
COc1ccc(cc1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:10|
CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OC(F)F)cc1 |r,c:3|
COCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
CCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:10|
CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OC(F)F)c(C)c1 |r,c:3|
CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1ccc(OCCF)cc1 |r,c:3|
CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCF |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCF)c1 |r,c:3|
CCCCCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCCF)c1 |r,c:3|
CCCc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:11|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CC1 |r,c:3|
CC(C)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OC(F)F)c1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCC2CC2)c1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(CCCC#N)c1 |r,c:3|
CN1C(N)=N[C@@](C1=O)(c1cccc(c1)C#CC1CC1)c1ccc(OC(F)F)c(C)c1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(=O)CCCF |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CCF |r,c:3|
COC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
COCC\C=C\c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:14|
[#6]-[#7]-1-[#6](-[#7])=[#7][C@]([#6]-1=O)(c1ccc(-[#8]-[#6](F)F)cc1)c1cccc(-[#8]-[#6]-[#6]\[#6]=[#6](\F)F)c1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(OCCC(F)(F)F)c1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(\F)=C\C1CC1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(OCC(F)F)c1 |r,c:3|
CCCC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)c(C)c1 |r,t:14|
CC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:12|
CCC(C)Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:13|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(OCCCCF)c1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C(\F)=C/C1CC1 |r,c:3|
CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(CCCC(F)(F)F)c1 |r,c:3|
COCC#Cc1cc(ccc1F)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1 |r,t:14|
CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)F)c3ccc(c(c3)C#CCCCF)F
COc1ccc2cc(ccc2c1)-c1cn(C[C@@H]2Cc3c(CN2)[nH]c2ccccc32)nn1 |r|
O[C@@H](CN(CC1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
O[C@H](CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
O[C@H](CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
O[C@@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
O[C@@H](CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
O[C@@H](CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
O[C@H](CN(CC1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
O[C@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CN)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CO)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CN)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(O)=O |r|
CCCC[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)NC[C@](O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)NC[C@@](O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@@H](C(=O)NC[C@](CCc1ccccc1)(C(=O)Nc2cccc(c2)C(=O)O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)c3[nH]nnn3)N
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)c1nnn[nH]1)C(C)C)C(=O)NCCC(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(Cc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCC(O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCCC(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NCCC(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCC(O)(Cc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)c1nnn[nH]1)C(C)C)C(=O)NCCC(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)NC[C@@](O)(CCc1ccccc1)C(=O)Nc1cccc(c1)C(O)=O |r|
CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(C)NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)S[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r|
COc1ccc(cc1)C1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r|
COCCCC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r|
CC(C)CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C |r|
CNC(=O)[C@@H](C[C@H](O)[C@@H]1COCc2cccc(c2)C(NC(=O)c2cc(cc(c2)C(=O)N1)N(C)S(C)(=O)=O)c1ccccc1)C(C)C |r|
COCCOC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r|
COCCOC1CCCc2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r|
CC(C)[C@H](C[C@H](O)[C@H](COCc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
COc1ccc(cc1)-c1cc(OC(C)=O)c(cc1OC(C)=O)-c1ccc(OC)cc1
CC(=O)Oc1cc(c(OC(C)=O)cc1-c1ccccc1)-c1ccc(cc1)C(F)(F)F
CC(=O)Oc1cc(c(OC(C)=O)c(c1)-c1ccccc1)-c1ccccc1
COc1ccc(cc1)C1=CC(=O)c2c(OC)cccc2C1=O |t:9|
COc1ccc(cc1)-c1cc(OC(C)=O)cc(c1OC(C)=O)-c1ccccc1
Oc1cccc2C(=O)C=C(C(=O)c12)c1ccccc1 |c:8|
COc1ccc(cc1)-c1cc(O)cc(-c2ccccc2)c1OC(C)=O
COc1cccc2C(=O)C=C(C(=O)c12)c1ccc(O)cc1 |c:9|
COc1ccc(cc1)C1=CC(=O)C(=CC1=O)c1ccc(OC)cc1 |c:13,t:9|
O=C1C=C(C(=O)C(=C1)c1ccccc1)c1ccccc1 |c:2,6|
FC(F)(F)c1ccc(cc1)C1=CC(=O)C(=CC1=O)c1ccccc1 |c:15,t:11|
COc1ccc(cc1)C1=CC(=O)C=C(C1=O)c1ccccc1 |c:13,t:9|
Oc1cc(c(O)cc1-c1ccccc1)-c1ccccc1
O=C1C=C(C(=O)c2ccccc12)c1ccccc1 |c:2|
COc1ccc(cc1)-c1cc(O)cc(c1O)-c1ccccc1
Oc1ccc(cc1)C1=CC(=O)c2ccccc2C1=O |t:8|
Oc1cccc2C(=O)C(=CC(=O)c12)c1ccccc1 |c:8|
Oc1ccc(cc1)C1=CC(=O)c2c(O)cccc2C1=O |t:8|
O[C@H]1[C@H](Cc2ccc(O)c(Br)c2)CS(=O)(=O)C[C@@H]1NCc1cc(Cl)cc(Cl)c1 |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 |r|
CC(C)Oc1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 |r|
O[C@H]1[C@H](Cc2ccc(O)c(Br)c2)CS(=O)(=O)C[C@@H]1NCc1ccccc1 |r|
CC(C)c1ccnc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 |r|
CCCN1[C@@H](Cc2cc(C[C@@H]3CS(=O)(=O)C[C@H](NCc4cccc(c4)C(C)C)[C@H]3O)ccc2O)COC1=O |r|
O[C@H]1[C@H](Cc2ccc(O)c(Br)c2)CS(=O)(=O)C[C@@H]1NCc1cccc(c1)C1CC1 |r|
CCCOc1cccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)c1 |r|
CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccccc3)[C@@H]2O)c1 |r|
CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cccc(Br)c3)[C@@H]2O)c1 |r|
COc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)cc1Br |r|
CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)cc3)[C@@H]2O)c1 |r|
CC(C)c1cccc(CN[C@H]2COC[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 |r|
CCCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)ccc1O |r|
CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)ccc1O |r|
CCCOCc1cccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)c1 |r|
CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 |r|
CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CCO)c3)[C@@H]2O)c1 |r|
CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Br)c3)[C@@H]2O)c1 |r|
CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(Cc4cccc(C)c4)c3)[C@@H]2O)c1 |r|
N[C@H]1CS(=O)(=O)C[C@@H](Cc2ccc(O)c(Br)c2)[C@@H]1O |r|
CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)cc1Br |r|
CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c1 |r|
CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)C)[C@H]2O)ccc1O |r|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c3-[#6]=[#6]C([#6])([#6])[#8]-c3cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:10|
CC(C)(O)CCc1c(oc2c3C=CC(C)(C)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O |c:11|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2c(cc(-[#8])cc2=O)oc1-c1ccc(-[#8])c2-[#6]=[#6]C([#6])([#6])[#8]-c12 |c:26|
c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc(-c1ccc(-[#8])cc1-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2=O
C\C(CO)=C\Cc1c(oc2c3C=CC(C)(CO)Oc3cc(O)c2c1=O)-c1ccc(O)cc1O |c:11|
CC(C)(O)C1Cc2c(oc3c4C=CC(C)(C)Oc4cc(O)c3c2=O)-c2ccc(O)cc2O1 |c:11|
[#6]\[#6](-[#6])=[#6]\[#6]-1-[#8]-c2cc(-[#8])ccc2-c2oc3c4-[#6]=[#6]C([#6])([#6])[#8]-c4cc(-[#8])c3c(=O)c12 |c:18|
Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1
O=C(CSc1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccccc1)c1c[nH]c2ccccc12
[O-][N+](=O)c1cccc(NC(=O)CSc2nc(cc(-c3ccccc3)c2C#N)-c2ccccc2)c1
Clc1ccc(Cn2cc(cn2)N(S(=O)(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1Cl
Fc1ccccc1NC(=O)CSc1nc2ccc(Nc3nc(nc(n3)N3CCCCC3)N3CCCCC3)cc2s1
Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3nc(cs3)-c3ccccc3)n2C)cc1
Cc1cc(C)nc(NC(Nc2cccc(c2)[N+]([O-])=O)=NC(=O)N2c3ccccc3Sc3ccccc23)n1 |w:19.20|
FC(F)(C(=O)Nc1sc2CCCCCCc2c1C#N)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1sc2CCCCCCc2c1C#N
Clc1cccc(Cc2cnc(NC(=O)c3ccc(CSc4nnc(-c5ccncc5)n4-c4ccccc4)cc3)s2)c1Cl
CCc1nnc(NC(=O)CSc2nc(cc(-c3ccccc3)c2C#N)-c2ccc(F)cc2)s1
O=C(COC(=O)CSc1nc(cc(n1)-c1ccccc1)-c1ccccc1)Nc1sc2CCCCc2c1C#N
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
COc1ccc(cc1)-c1cc(-c2ccc(Cl)cc2)c(C#N)c(SCC(=O)N(c2ccccc2)c2ccc3ccccc3c2)n1
Fc1ccc(cc1)-c1cc(nc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1C#N)-c1ccccc1 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
Cc1nc(NC(NC(=O)Nc2ccccc2)=NC(=O)Nc2ccccc2)nc2ccccc12 |w:16.17|
Cc1nn(c(Cl)c1C1Nc2ccccc2-c2nnc(SCc3ccccc3)nc2O1)-c1ccccc1
OC1CC(Nc2cccc(c2)-c2cn(nn2)[C@H](CNCc2cccc(Br)c2)Cc2ccccc2)C(O)CC1Nc1cccc(c1)C#C |r|
OC1CC(O)C(CC1Nc1cccc(c1)C#C)Nc1cccc(c1)-c1cn(nn1)[C@H](CNCc1cccc(Br)c1)Cc1ccccc1 |r|
COc1cccc(CNC[C@H](Cc2ccccc2)n2cc(nn2)-c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)N(C)S(C)(=O)=O)c1 |r|
C[C@@H](NC(=O)c1cc(cc(c1)-c1cn(nn1)[C@H](CNCc1cccc(Br)c1)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 |r|
C(CCCNc1c2Cc3ccccc3-c2nc2ccccc12)CCCNc1c2Cc3ccccc3-c2nc2ccccc12
c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCNc4c5ccccc5nc6c4CCCC6
Clc1ccc2c(NCCCCCCCNc3c4Cc5ccccc5-c4nc4ccccc34)c3CCCCc3nc2c1
CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCC1)c1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H](C)c1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCC1)c1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H](C)c1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCCC1)c1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC1(CCCCC1)c1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC(C)(C)c1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NC(C)(C)c1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](C)c1ccccc1 |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](C)c1ccccc1 |r|
C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCCC(C)(C)C |r|
CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C(C)=O)C(=O)NCCC(C)(C)C
CC(Cc1cc2cc(ccc2nc1N)-c1ncccc1C#N)C(=O)NCCC(C)(C)C
C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1cnccn1 |r|
COc1cccnc1-c1ccc2nc(N)c(CC(C)C(=O)NCCC(C)(C)C)cc2c1
CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1cncs1
C[C@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1Cl)C(=O)NCCC(C)(C)C |r|
CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1cccnc1
C[C@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C(=O)NCCC(C)(C)C |r|
C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)N[C@@H]1CCOC(C)(C)C1 |r|
C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCc1ccccc1 |r|
C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCOCC1 |r|
Nc1ccc2cc(ccc2n1)-c1ccccc1Cl
Nc1ccc2cc(ccc2n1)-c1cccc(Cl)c1
Nc1ccc2cc(ccc2n1)-c1ccccc1
Cc1ccccc1-c1ccc2nc(N)ccc2c1
Nc1ccc2c(Br)cccc2n1
Nc1ccc2cc(ccc2n1)-c1ccsc1
Nc1ccc2cccc(Br)c2n1
Nc1ccc2ccc(Br)cc2n1
Nc1ccc2cc(Br)ccc2n1
C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1 |r|
CC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1
Nc1ccc2cc(ccc2n1)C1CCCCC1
CC(C)(C)C#Cc1ccccc1-c1ccc2nc(N)ccc2c1
Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NCC3CCCCC3)cc2c1
Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NC3CCCCC3)cc2c1
Nc1ccc2cc(ccc2n1)-c1ccc(Cl)cc1
CN(C1CCCCC1)C(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C
c1ccc2c(c1)cc(c(n2)N)CCC(=O)NCC3CCCCC3
CN(C1CCCCC1)C(=O)CCc2cc3ccccc3nc2N
CCCC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1
CC(C)C(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1
CCC(Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1
C[C@@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1 |r|
CN1C(N)=NC(C1=O)(c1ccsc1)c1ccc(F)c(c1)-c1cccnc1F |c:3|
COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccsc1 |t:17|
CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cnccn1 |c:3|
CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11|
CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1 |c:3|
CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1F |c:3|
CN1C(N)=NC(C1=O)(c1ccsc1)c1ccc(F)c(c1)-c1cccnc1 |c:3|
CCc1cc(c(C)s1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:10|
CN1C(N)=NC(C1=O)(c1csc(Cl)c1)c1cccc(c1)-c1cncnc1 |c:3|
CN1C(N)=NC(C1=O)(c1cc(C)sc1Cl)c1cccc(c1)-c1cncnc1 |c:3|
CN1C(N)=NC(C1=O)(c1cnn(c1)C1CCCC1)c1cccc(c1)-c1cccnc1F |c:3|
CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cncnc1 |c:3|
CCC(CC)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |t:13|
CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |t:11|
CCc1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:9|
CN1C(N)=NC(C1=O)(c1csc(C)c1)c1cccc(c1)-c1cncnc1 |c:3|
CN1C(N)=NC(C1=O)(c1ccsc1C)c1cccc(c1)-c1cncnc1 |c:3|
CN1C(N)=NC(C1=O)(c1cnn(c1)C1CCCC1)c1cccc(c1)-c1cncnc1 |c:3|
CCn1cc(cn1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:9|
CC(C)CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |t:12|
CN1C(N)=NC(C1=O)(c1cnn(CCC(C)(C)C)c1)c1cccc(c1)-c1cccnc1F |c:3|
CN1C(N)=NC(C1=O)(c1cnn(CCC2CCCCC2)c1)c1cccc(c1)-c1cncnc1 |c:3|
CCn1cc(cn1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:9|
CC(C)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |t:11|
CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |t:11|
CCC(=O)c1cc(cs1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:11|
CC(C)Cn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11|
CC(C)CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:12|
CN1C(N)=NC(C1=O)(c1cnn(CC(F)(F)F)c1)c1ccc(F)c(c1)-c1cncnc1 |c:3|
CC(C)n1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 |t:10|
CN1C(N)=N[C@](C1=O)(c1cnn(CC(F)(F)F)c1)c1cccc(c1)-c1cccnc1F |r,c:3|
CC(C)n1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F |t:10|
CN1C(N)=NC(C1=O)(c1cnn(CCC(C)(C)C)c1)c1cccc(c1)-c1cncnc1 |c:3|
CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1F |t:9|
CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11|
CN1C(N)=NC(C1=O)(c1cnn(CCF)c1)c1cccc(c1)-c1cccnc1F |c:3|
CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:9|
CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 |t:9|
CN1C(N)=NC(C1=O)(c1cnn(C)c1)c1cccc(c1)-c1cncnc1 |c:3|
CCC(=O)c1cc(cs1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:11|
COc1ccc(cc1)C(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccccc1
OC(CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12
OC(CN(Cc1ccccc1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
OC(CNc1cccc2ccccc12)Cn1c2ccccc2c2ccccc12
OC(CN(C(=O)c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc12
OC(CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
COc1ccc(cc1)C(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)c1ccccc1
OC(CN(C(=O)c1ccc(Cl)cc1)c1ccccc1)Cn1c2ccccc2c2ccccc12
OC(CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1)Cn1c2ccccc2c2ccccc12
COc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)C(=O)c2ccccc2)cc1
OC(CN(C(=O)c1ccccc1)c1ccc(cc1)C(F)(F)F)Cn1c2ccccc2c2ccccc12
Cc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)C(=O)c2ccccc2)cc1
OC(CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1)Cn1c2ccccc2c2ccccc12
OC(CN(C1CCCCC1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
OC(CN(C(=O)c1ccccc1)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12
OC(CN(CCc1ccccc1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
OC(CN(C(=O)c1ccccc1)c1ccc(cc1)[N+]([O-])=O)Cn1c2ccccc2c2ccccc12
Cc1ccc(cc1)N(CC(O)Cn1c2ccccc2c2ccccc12)C(=O)c1ccccc1
OC(CN(C(=O)c1ccccc1)c1ccc(F)cc1)Cn1c2ccccc2c2ccccc12
CCC(C)[C@@]1(N)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCCCCc2ccccc2)C1=O |r|
CCC(C)[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCCCCc1ccccc1 |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2Cc3ccccc3CN2)C1=O)NC(C)=O |r|
CC(C)C[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2Cc3ccccc3CN2)C1=O)NC(C)=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3ccccc3CN2)C1=O)NC(C)=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(OC)c2)C1=O)NC(C)=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2Cc3cccc(OC)c3CN2)C1=O)NC(C)=O |r|
CCCOc1cccc2CC(NCc12)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O)NC(C)=O |r|
CCCCN(C)C(=O)n1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)c2cccnc12 |r|
CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O |r|
CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)S(=O)(=O)Cc2ccc(F)cc2)C1=O)NC(C)=O |r|
CCCC[C@@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)S(=O)(=O)CCC)C1=O |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1Cc2ccccc2CN1 |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C2Cc3cccc(O)c3CN2)C1=O)NC(C)=O |r|
CCCS(=O)(=O)[C@@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O |r|
CCCN(CCC)C(=O)c1cc(cc(c1)-c1ncco1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)S(=O)(=O)CCC |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)S(=O)(=O)c2ccccc2)C1=O)NC(C)=O |r|
CCCS[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O |r|
CCCS(=O)(=O)[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2Cc3cccc(OC)c3CN2)C1=O)NC(C)=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2cccc(c2)C(F)(F)F)C1=O)NC(C)=O |r|
CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H](COC)C1=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2cccc(c2)C#N)C1=O)NC(C)=O |r|
CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H]([C@H](O)CCC)C1=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2ccc(F)cc2)C1=O)NC(C)=O |r|
CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCCC)C1=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2ccccn2)C1=O)NC(C)=O |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@@](CC3CC3)(NC(C)=O)C2=O)c1 |r|
CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O |r|
CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2cccnc2)C1=O)NC(C)=O |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](C(C)C)C2=O)c1 |r|
CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCCC)C1=O |r|
CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H](C(C)C)C1=O |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](CC(C)C)C2=O)c1 |r|
CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@H](CC(C)C)C1=O |r|
COC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O |r|
CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](C)N1CC[C@H](C(C)C)C1=O |r|
CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](C)N1CC[C@H](CC(C)C)C1=O |r|
CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](C)N1CC[C@H]([C@H](O)CCC)C1=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](O)CN2)C1=O)NC(C)=O |r|
CCC[C@@H](O)[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@@](CC3CC3)(NC(C)=O)C2=O)c1 |r|
CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](N)CN2)C1=O)NC(C)=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](N)CN2)C1=O)NC(C)=O |r|
CCC[C@@H](O)[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O)NC(C)=O |r|
CCC[C@@H](O)[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O |r|
CC(C)C[C@]1(CCN(C1=O)[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4Cc5ccccc5CN4)O)NC(=O)C
CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccc2)C1=O)NC(C)=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3CN2)C1=O)NC(C)=O |r|
CCC[C@@H](O)[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O |r|
CCC(C)[C@]1(CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O)NC(C)=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccn2)C1=O)NC(C)=O |r|
CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)CN2)C1=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2cccnc2)C1=O)NC(C)=O |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@H](C(C)C)C2=O)c1 |r|
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@H](CC(C)C)C2=O)c1 |r|
COC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3cccc(OC)c3CN2)C1=O)NC(C)=O |r|
CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@@](CC(C)C)(NC(C)=O)C1=O |r|
CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](O)CN2)C1=O |r|
CC(C)C[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccn2)C1=O |r|
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2ccccc2)C1=O)NC(C)=O |r|
CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccn2)C1=O |r|
CC(C)C[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)Oc2ccccn2)C1=O |r|
C[C@H](CC(=O)[C@]1(CO1)[C@H](C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)[C@@H]1CC3 |r,c:19|
CN1CC(C)(N=C(N)C1=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |t:5|
CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2cnc(C)cn2)c1 |c:4|
CN1CC(C)(N=C(N)C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |t:5|
CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 |c:4|
CN1CC(N)=NC(C)(C1=O)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 |c:4|
C[C@]1(C(=O)N(CC(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)Cl
CN1CC(N)=N[C@](C)(C1=O)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |r,c:4|
C[C@]1(C(=O)N(CC(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)Cl
NC1=Nc2ccc(Oc3ccccc3)cc2CN1CCC(=O)NC1C2CC3CC(C2)CC1C3 |t:1,TLB:32:31:29:25.26.27,THB:27:26:23:30.28.29,27:28:23:25.32.26,22:23:29:25.26.27,32:26:23.31.30:29,(1.51,-50.04,;.18,-49.27,;-1.17,-50.03,;-2.5,-49.26,;-3.83,-50.04,;-5.16,-49.27,;-5.16,-47.72,;-6.49,-46.95,;-7.83,-47.73,;-9.16,-46.95,;-10.49,-47.72,;-10.49,-49.26,;-9.15,-50.03,;-7.82,-49.26,;-3.83,-46.95,;-2.5,-47.72,;-1.16,-46.94,;.18,-47.72,;1.51,-46.95,;2.84,-47.73,;4.18,-46.96,;4.18,-45.42,;5.51,-47.73,;6.85,-46.97,;8.08,-45.71,;9.39,-46.23,;10.8,-45.92,;10.85,-44.39,;9.46,-43.78,;8.1,-44.22,;8.39,-44.99,;8.36,-46.58,;9.76,-47.17,)|
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Brc1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CC[C@H](C[C@H]1c1ccccc1)c1ccccc1 |r|
O=C([C@@H]1CNC[C@H]1c1ccccc1)N1CCC(CC1)c1ccccc1 |r|
Brc1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CCCCC1c1ccccc1 |r|
Brc1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CCC(CC1)c1ccccc1 |r|
O=C([C@@H]1CNC[C@]11CCCc2ccccc12)N1CCC(CC1)c1ccccc1 |r|
c1ccc(cc1)[C@@H]2CCN([C@@H](C2)c3ccccc3)C(=O)[C@@H]4CNC[C@]45CCCc6c5cccc6
Clc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2C2CCCCC2)c2ccccc2)n1 |r|
Brc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2c2ccccc2)c2ccccc2)c1 |r|
Cc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2C2CCCCC2)c2ccccc2)n1 |r|
Brc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CC[C@H](C[C@H]2C2CCCCC2)c2ccccc2)c1 |r|
Brc1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CCOC[C@@H]1c1ccccc1 |r|
CS(=O)(=O)c1ccc(cc1)-c1ccccc1[C@@H]1CNC[C@H]1C(=O)N1CCOC[C@@H]1c1ccccc1 |r|
O=C([C@@H]1CNC[C@H]1c1ccccc1)N1CCOC[C@H]1Cc1ccccc1 |r|
Nc1nc(Cc2ccc(cc2)-c2ccc(cc2)C(F)(F)F)cn1Cc1cc(F)cc(F)c1
COc1cc(OC)cc(c1)-c1ccc(Cc2cn(Cc3ccc(F)cc3)c(N)n2)cc1
COc1cc(OC)cc(c1)-c1ccc(Cc2cn(Cc3cc(F)cc(F)c3)c(N)n2)cc1
Nc1nc(Cc2ccc(cc2)-c2cccc3oc4ccccc4c23)cn1Cc1ccccc1Cl
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12
CC1(C)Oc2ccc3ccc(=O)oc3c2C=C1 |c:17|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2occc2cc2ccc(=O)oc12
c1c2c(cc(c1O)O)OC(=O)C=C2
COc1c2ccoc2c(OC)c2oc(=O)ccc12
COc1c2ccoc2c(OC[C@@H](O)C(C)(C)O)c2oc(=O)ccc12 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1
[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#8]-[#6@H]1-[#6]-c2cc3ccc(=O)oc3cc2-[#8]C1([#6])[#6] |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc2ccc(=O)oc2c1
CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1O |r|
[#6]-[#8]-c1c2occc2c(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c2ccc(=O)oc12
c1coc2c1c(c3c(c2)OC(=O)C=C3)O
COc1c2c(cco2)cc3c1OC(=O)C=C3
[#6]-[#8]-c1cc2oc(=O)ccc2cc1-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2oc(=O)ccc12
[#6]-[#8]-c1c2ccoc2c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2oc(=O)ccc12
C\C=C(/C)C(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C |r|
CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 |c:17|
c1ccc2c(c1)C=CC(=O)O2
COc1cc2ccc(=O)oc2cc1OC
[#6]-[#8]-c1c2ccoc2c(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c2oc(=O)ccc12
CC1(C)CCc2cc3ccc(=O)oc3cc2O1
Oc1c2occc2cc2ccc(=O)oc12
COc1c2ccoc2cc2oc(=O)ccc12
COc1ccc2c(c1)OC(=O)C=C2
CC(C)(O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 |r|
CC1(C)O[C@@H]1COc1c2occc2cc2ccc(=O)oc12 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2ccc(=O)oc12
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc2ccc(=O)oc2cc1-[#8]
CC1(C)O[C@H]1COc1c2ccoc2cc2oc(=O)ccc12 |r|
CC(C)(O)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2c(-[#8])c2oc(=O)ccc12
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2c(-[#8])c2oc(=O)ccc12
Oc1c2ccoc2c(O)c2oc(=O)ccc12
COc1c2ccoc2c(O)c2oc(=O)ccc12
CC(C)(O)C(O)COc1c2occc2cc2ccc(=O)oc12
O=c1ccc2ccc3occc3c2o1
O=c1ccc2cc3ccoc3cc2o1
c1cc2c(cc1O)OC(=O)C=C2
COc1c2ccoc2c(OC[C@H]2OC2(C)C)c2oc(=O)ccc12 |r|
[#6]-[#8]-c1c2occc2c(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])c2ccc(=O)oc12
[#6]-[#8]-c1ccc2ccc(=O)oc2c1-[#6]\[#6]=[#6](\[#6])-[#6]
CC(C)(O)[C@@H]1Cc2c(O1)ccc1ccc(=O)oc21
CC1(C)Oc2ccc3ccc(=O)oc3c2CC1O
CCN(CCCCCC=Nc1cc(O)c2ccccc2c1O)Cc1ccccc1OC |w:9.9|
CSc1cccc2c(O)c(cnc12)C(=O)Nc1ccc(cc1)N(CCO)CCO
OCCN(CCO)c1ccc(NC(=O)c2cnc3cc(Cl)cc(Cl)c3c2O)cc1
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O
CSc1ccc2c(O)c(cnc2c1)C(=O)Nc1ccc(cc1)N(CCO)CCO
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)C(O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)OC(C)=O
CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(Cc1ccccc1)C(O)=O
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
CSCCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(CC(C)C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C(O)CC(C)C(=O)NC(C(C)C)C(=O)NCc1ccccc1
c1ccc(cc1)CCC2=CC(=O)NC(=N2)N
CCCC1=CC(=O)NC(=N1)N
C[C@H](NC(=O)OC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)S(C)(=O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OCCNC(=O)\C=C\c3ccc(Cl)c(Cl)c3)ccc2oc1=O
CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OCCNC(=O)CCc3ccc(F)c(F)c3)ccc2oc1=O
CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2ccc(OCCNC(=O)Cc3cc(F)cc(F)c3)cc2oc1=O
CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2ccc(OCCNC(=O)\C=C\c3cc(F)cc(F)c3)cc2oc1=O
CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2ccc(OCCNC(=O)CCc3ccc(F)c(F)c3)cc2oc1=O
CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2ccc(OCCNC(=O)\C=C\c3ccc(Cl)c(Cl)c3)cc2oc1=O
CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OCCNC(=O)Cc3cc(F)cc(F)c3)ccc2oc1=O
CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OCCNC(=O)\C=C\c3cc(F)cc(F)c3)ccc2oc1=O
CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)C1CCCCC1
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC1CC1
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OC(C)=O
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](CCc2ccccc2)CCN1
CCC[C@H]1CCN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(C)cc(c1)C(=O)N(CCC)CCC
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCC1CCCCC1
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](CC2CCCCC2)CCN1
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCCN(C)C
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OC
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OCCOC
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 |r|
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCN1
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CCN1)OC(C)C
CCCCO[C@H]1CCN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(C)cc(c1)C(=O)N(CCC)CCC
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CCCN1
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](O)CN1
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2ccc(OC)cc2)CCN1
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2cccc(OC)c2)CCN1
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](Cc2ccccc2OC)CCN1
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCC(N)=O
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCSC
N=C(NCCC#N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21|
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCC1OCCO1
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCn1ccnc1
OCCNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15,14:15:18:22.21.20|
OCC(O)CNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
Nc1cccc(CNC(=N)NC(=O)Cn2c(ccc2C23CC4CC(CC(C4)C2)C3)-c2ccccc2)c1 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
Cc1csc(CNC(=N)NC(=O)Cn2c(ccc2C23CC4CC(CC(C4)C2)C3)-c2ccccc2)n1 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCc1cccs1
N=C(NCCc1ccsc1)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
C[C@@H](O)CNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21|
OCCCCNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
O[C@H]1CC[C@@H](CC1)NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |wU:1.0,wD:4.7,TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24,(2.58,-33.02,;1.26,-33.81,;1.29,-35.35,;-.02,-36.15,;-1.37,-35.4,;-1.42,-33.87,;-.09,-33.07,;-2.69,-36.21,;-4.04,-35.47,;-4.08,-33.93,;-5.35,-36.27,;-5.32,-37.81,;-3.96,-38.55,;-6.63,-38.61,;-6.59,-40.15,;-5.33,-41.03,;-5.76,-42.5,;-7.3,-42.54,;-7.81,-41.08,;-9.23,-40.49,;-10.69,-41.22,;-11.73,-40.12,;-13.27,-39.87,;-11.65,-39.22,;-11.03,-37.86,;-9.61,-38,;-11.07,-38.68,;-8.58,-39.11,;-10.65,-40.22,;-3.87,-40.51,;-2.71,-41.52,;-1.26,-41.01,;-.98,-39.49,;-2.16,-38.49,;-3.6,-39.01,)|
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCc1ccc(F)c(F)c1F
Cc1nnc(CNC(=N)NC(=O)Cn2c(ccc2C23CC4CC(CC(C4)C2)C3)-c2ccccc2)o1 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
N=C(NCCc1cccs1)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCc1ccco1
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)N[C@H]1CC[C@H](O)CC1 |wU:29.31,wD:32.35,(11.88,2.57,;11.9,1.03,;13.24,.28,;13.26,-1.26,;14.71,-1.78,;15.86,-.75,;17.32,-1.22,;17.63,-2.73,;16.5,-3.76,;15.04,-3.29,;19.1,-3.21,;19.58,-4.67,;21.12,-4.67,;21.59,-3.21,;23.06,-2.73,;23.37,-1.23,;24.83,-.75,;25.98,-1.78,;25.66,-3.29,;24.2,-3.76,;23.88,-5.27,;20.35,-2.3,;20.35,-.76,;21.68,.01,;23.01,-.76,;21.68,1.55,;23.01,2.32,;23.01,3.86,;24.35,1.55,;25.68,2.32,;25.67,3.85,;27.02,4.62,;28.35,3.85,;29.69,4.61,;28.34,2.3,;27.01,1.54,)|
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCC(C)(C)CO
N=C(NCCCC#N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17,16:17:20:24.23.22|
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCc1ccc(O)c(OC)c1
N=C(NCCCn1ccnc1)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:19:20:23.22.27:25,THB:21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,19:20:23:27.26.25|
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCC(N)=O
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)N[C@H]1CC[C@@H](CC1)C(O)=O |wU:29.31,wD:32.38,(-10.39,1.86,;-10.37,.32,;-9.03,-.43,;-9.01,-1.97,;-7.56,-2.49,;-6.41,-1.46,;-4.95,-1.93,;-4.64,-3.44,;-5.77,-4.47,;-7.23,-4,;-3.17,-3.92,;-2.69,-5.38,;-1.15,-5.38,;-.68,-3.92,;.79,-3.44,;1.1,-1.94,;2.56,-1.46,;3.71,-2.49,;3.39,-4,;1.93,-4.47,;1.61,-5.98,;-1.92,-3.01,;-1.93,-1.47,;-.59,-.7,;.74,-1.47,;-.59,.84,;.74,1.61,;.74,3.15,;2.08,.84,;3.41,1.61,;3.4,3.14,;4.74,3.91,;6.08,3.13,;6.07,1.59,;4.74,.83,;7.41,3.9,;8.75,3.12,;7.42,5.44,)|
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCC(O)=O
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCC(O)CO
CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCC(O)=O
C[C@H](O)CNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21|
N=C(NC1CCCCC1)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NS(=O)(=O)C(F)(F)F
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1
C[C@H](N)Cc1ccc(O)cc1 |r|
CCc1cc(ccc1O)CCN
c1cc(ccc1CCN)O
Cc1ccc(cc1)-c1cc(CCN)ccc1O
NCCc1ccc(O)c(c1)-c1ccccc1
c1cc(c(cc1CCN)C2CCCCC2)O
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(C)=O)cc1)C(=O)NC1CCCCC1
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1CCCC1=O)C(=O)NC1CCCCC1
CCCCCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
CC(C)CNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
CC(C)Oc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
CC(C)Nc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
CC(C)C[C@H](NC(=O)c1cccc(c1)S(C)(=O)=O)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1
CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1
CCCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)N1CCCC1=O)N1CCCC1)C(=O)NC1CCCCC1
CCCCCS(=O)(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1 |r|
CCCc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1
CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
COc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
C[C@H](N(C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1CCCS1(=O)=O)C(=O)NC1CCCCC1
CCCCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
CCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
COCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
CCCCCN1C[C@H]([C@H](Cc2ccccc2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(CC2CC2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1
CCOCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2cccs2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccccc2F)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccc(F)cc2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1
CCCCN1C[C@H]([C@H](Cc2ccccc2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
Cc1cccc(CN2C[C@H](CC2=O)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2ccccc2)c1
CCCCN1C[C@H]([C@H](CCC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
CCCCN1C[C@H]([C@H](CC(C)C)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2cccc(F)c2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1
CCCC(CCC)N1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
CCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
CCCCCN1C[C@H]([C@H](CC(C)C)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
CCCCCN1C[C@H]([C@H](C2CC2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccc(cc2)C(F)(F)F)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1
CCCCCN1C[C@H]([C@H](C2CCCC2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 |r|
CCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
CC(C)N1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
CCCOCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2cccnc2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2nccs2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1
CCCCN1C[C@H]([C@H](CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1
O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccco2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1
CCCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
CCOCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1
O[C@H](CNCc1cccc(OC(F)(F)F)c1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)N1
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)N2)c1
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(C(=O)N2)c2ccccc2)c1
CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CC(Cc3ccccc3)C(=O)N2)c1 |w:26.27|
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)c(F)cc3F)C(=O)N2)c1
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3C(F)(F)F)C(=O)N2)c1
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1
COc1cc(CN2C[C@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(c2)N(C)C)cc(OC)c1
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)c(F)c3)C(=O)N2)c1
CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1
CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)cc3)C(=O)N2)c1
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)C2)c1
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(cc3)C(F)(F)F)C(=O)N2)c1
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)cc3F)C(=O)N2)c1
O[C@H](CNCc1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)N1
COc1cccc(CN2C[C@H](NC2=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(c2)N(C)C)c1 |r|
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(CCc3ccccc3)C(=O)N2)c1
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@]2(C)CN(Cc3ccccc3)C(=O)N2)c1
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(CCOc3ccccc3)C(=O)N2)c1
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(C(=O)N2)c2cc(Br)cc(Br)c2)c1
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@]2(Cc3ccccc3)CN(Cc3ccccc3)C(=O)N2)c1 |r|
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CNC(=O)N2)c1
CCCCN1C[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)N(C)C
CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)N2)c1
[#6]-[#8]-c1cc(-[#8])ccc1-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])c(-[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#6])=[#6])c2-[#8]-1 |r|
[#6]-[#8]-c1cc(-[#8])ccc1-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8]-[#6])cc(-[#8])c(-[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#6])=[#6])c2-[#8]-1 |r|
CC(=C)[C@H](CCC(C)(C)O)Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1O |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6@H](-[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccccc1-[#8])-[#6](-[#6])=[#6] |r|
[#6]-[#8]-c1cc(-[#8])c(-[#6]-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#6])=[#6])c2-[#8]-[#6@@H](-[#6]-[#6](=O)-c12)-c1ccc(-[#8])cc1-[#8] |r|
[#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6](-[#6]-[#6](=O)-c12)-c1ccc(-[#8])cc1
COc1cc(O)c(C[C@@H](CCC(C)(C)O)C(C)=C)c2O[C@@H](CC(=O)c12)c1ccc(O)cc1O |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6@H](-[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1-[#8])-[#6](-[#6])=[#6] |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](NC(C)=O)NC1)c1cccc(c1)C(C)(C)C |r|
C[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C |r|
CS[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C |r|
CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(CCc2nc(N)ncc2C1)c1cccc(c1)C(C)(C)C
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](CO)CC1)c1cccc(c1)C(C)(C)C |r,wU:14.15,18.18,wD:4.3,21.22,(23.1,-39.62,;21.76,-38.85,;21.76,-37.31,;20.43,-39.61,;20.43,-41.15,;19.09,-41.92,;17.76,-41.15,;16.42,-41.92,;15.08,-41.15,;13.75,-41.92,;15.08,-39.6,;16.42,-38.82,;16.41,-37.28,;17.76,-39.6,;21.76,-41.93,;21.76,-43.47,;23.09,-41.16,;24.43,-41.93,;25.76,-41.17,;24.43,-40.4,;24.43,-38.85,;25.76,-38.07,;25.76,-36.53,;27.09,-35.76,;27.1,-38.85,;27.1,-40.4,;27.09,-41.93,;27.09,-43.47,;28.43,-44.24,;29.76,-43.46,;29.75,-41.92,;28.42,-41.16,;31.08,-41.14,;32.42,-41.9,;31.07,-39.6,;32.4,-40.36,)|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCN(C1)C(C)=O)c1cccc(c1)C(C)(C)C |r|
COC(=O)N[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](Nc2cccs2)NC1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](Nc2ccccn2)NC1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCN(C1)C(=O)OCc1ccccc1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCNC1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCN(C1)C(N)=O)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@@H](NC1)C#N)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](O)CC1)c1cccc(c1)C(C)(C)C |r,wU:14.15,18.18,wD:4.3,21.22,(-.23,-39.94,;-1.56,-39.17,;-1.56,-37.63,;-2.89,-39.94,;-2.9,-41.48,;-4.23,-42.25,;-5.56,-41.48,;-6.91,-42.25,;-8.24,-41.48,;-9.57,-42.25,;-8.24,-39.93,;-6.91,-39.15,;-6.91,-37.61,;-5.56,-39.93,;-1.56,-42.25,;-1.57,-43.79,;-.23,-41.48,;1.1,-42.26,;2.44,-41.49,;1.1,-40.72,;1.1,-39.18,;2.44,-38.4,;2.44,-36.86,;3.78,-39.18,;3.78,-40.72,;3.77,-42.26,;3.77,-43.8,;5.1,-44.56,;6.44,-43.79,;6.43,-42.24,;5.09,-41.48,;7.76,-41.47,;9.09,-42.23,;7.75,-39.93,;9.08,-40.68,)|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCC1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCN(O)C1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCC(=O)CC1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOC1)c1cccc(c1)-n1cccn1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CCC(NO)=NC1)c1cccc(c1)C(C)(C)C |r,c:24|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCC(C)=NC1)c1cccc(c1)C(C)(C)C |r,c:23|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](CCO)CC1)c1cccc(c1)C(C)(C)C |r,wU:14.15,18.18,wD:4.3,21.22,(.89,-51.04,;-.44,-50.27,;-.44,-48.73,;-1.77,-51.04,;-1.77,-52.58,;-3.11,-53.34,;-4.44,-52.57,;-5.78,-53.34,;-7.12,-52.57,;-8.45,-53.34,;-7.12,-51.02,;-5.78,-50.25,;-5.79,-48.71,;-4.44,-51.02,;-.44,-53.35,;-.44,-54.89,;.89,-52.58,;2.22,-53.35,;3.56,-52.59,;2.22,-51.82,;2.22,-50.27,;3.56,-49.49,;3.56,-47.95,;4.89,-47.18,;4.89,-45.64,;4.9,-50.27,;4.9,-51.82,;4.89,-53.36,;4.89,-54.89,;6.22,-55.66,;7.56,-54.89,;7.55,-53.34,;6.21,-52.58,;8.88,-52.56,;10.22,-53.32,;8.87,-51.02,;10.2,-51.78,)|
CO[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C |r|
CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(CCc2nc(C)ncc2C1)c1cccc(c1)C(C)(C)C
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@@H](NC1)C(F)(F)F)c1cccc(c1)C(C)(C)C |r|
CON[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](NC=O)NC1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@@H](NC1)N(O)C(C)=O)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(CC[C@H](O)CC1)c1cccc(c1)C(C)(C)C |r,wU:14.15,18.18,21.22,wD:4.3,(22.91,-29.31,;21.58,-28.54,;21.58,-27,;20.24,-29.31,;20.24,-30.85,;18.9,-31.61,;17.57,-30.84,;16.23,-31.61,;14.9,-30.84,;13.56,-31.61,;14.9,-29.29,;16.23,-28.52,;16.23,-26.98,;17.57,-29.29,;21.57,-31.62,;21.57,-33.16,;22.91,-30.85,;24.24,-31.62,;25.57,-30.86,;26.91,-30.09,;26.91,-28.54,;25.57,-27.76,;25.57,-26.22,;24.24,-28.54,;24.24,-30.09,;26.91,-31.63,;26.91,-33.16,;28.24,-33.93,;29.57,-33.15,;29.56,-31.61,;28.23,-30.85,;30.89,-30.83,;32.23,-31.59,;30.88,-29.29,;32.21,-30.05,)|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](Nc2cccnc2)NC1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCOC1)c1cccc(c1)-n1cccn1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCC(=O)NC1)c1cccc(c1)C(C)(C)C |r|
CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(CCc2[nH]ncc2C1)c1cccc(c1)C(C)(C)C
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@@H](NC1)S(C)(=O)=O)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCNC(=O)C1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](NS(C)(=O)=O)NC1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCNCC1)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCN(CC1)C(N)=O)c1cccc(c1)C(C)(C)C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](NO)NC1)c1cccc(c1)C(C)(C)C |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r|
CCc1cc(cc(CC)n1)[C@@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F |r,t:12|
CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccnc1)c1ccnc(C)c1 |c:3|
CCc1cc(cc(n1)CC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4
CCc1cc(cc(n1)CC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4
CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cncnc1)c1cc(C)nc(C)c1 |c:3|
CCc1cc(ccn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:10|
CC(C)c1cc(ccn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11|
CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cncnc1)c1ccnc(C)c1 |c:3|
CC(C)c1cc(cc(C)n1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:12|
CCc1cc(cc(C)n1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11|
Oc1ccc(cc1C(=O)NN=C1C(=O)N(CC(=O)NC2CCCCC2)c2ccccc12)[N+]([O-])=O |w:10.10|
Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)c3cc(ccc3O)[N+]([O-])=O)c3ccccc23)cc1 |w:13.13|
CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)C1CCCC1 |r|
CCS(=O)(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O |r|
CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccc(Cl)cc1)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O |r|
CS(=O)(=O)N(c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)c1ccccn1 |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccc(cc1)C(F)(F)F)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
CCNc1cc(cc(c1)N(c2ccccc2)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O
COc1ccc(cc1)N(c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1cccc(c1)C#N)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
CC(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O |r|
COc1cccc(c1)N(c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccccc1C#N)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
COc1ccccc1N(c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O |r|
CS(=O)(=O)N(c1ccccc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(=O)(=O)N(C)Cc1ccccc1)C(=O)NC1CCCCC1 |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(=O)(=O)Cc1ccccc1)C(=O)NC1CCCCC1 |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C(=O)NC1CCCCC1 |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(OS(=O)(=O)Cc2ccccc2)c1)C(=O)NC1CCCCC1 |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2)c1)C(=O)NC1CCCCC1 |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)NC1CCCCC1 |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(Cc1ccccc1)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)N(c4ccccc4)S(=O)(=O)C)O
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(C1CCCCC1)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(C(C)=O)c1ccccc1)C(=O)NC1CCCCC1 |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Nc2ccccc2)c1)C(=O)NC1CCCCC1 |r|
CS(=O)(=O)N(c1ccccc1)c1cc(cc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
CS(=O)(=O)N(c1cccnc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
CS(=O)(=O)N(c1ccccc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
CS(=O)(=O)N(c1ccncc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
CS(=O)(=O)N(c1ccccc1)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 |r|
Cc1ccc(cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O |r|
CC(C)CCCC(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccccc1)S(C)(=O)=O |r|
Cc1ccc(cc1N(c1ccccc1)S(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
Cc1c(cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N(c1ccccc1)S(C)(=O)=O |r|
O[C@H](CNCc1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N1c2ccccc2OS1(=O)=O |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)N(c1ccc(cc1)C#N)S(C)(=O)=O)C(=O)NC1CCCCC1 |r|
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(9.76,-25.42,;8.22,-25.42,;7.45,-24.09,;8.22,-22.76,;7.45,-21.42,;5.91,-21.42,;5.14,-22.76,;5.91,-24.09,;5.14,-20.09,;5.91,-18.76,;5.14,-17.43,;5.91,-16.09,;3.6,-17.43,;2.83,-16.09,;3.6,-14.76,;1.29,-16.09,;.52,-17.43,;-1.02,-17.43,;1.29,-18.76,;.52,-20.09,;-1.02,-20.09,;-1.79,-21.42,;-1.02,-22.76,;.52,-22.76,;1.29,-21.42,;2.83,-21.42,;-3.33,-21.42,;-4.1,-20.09,;-5.64,-20.09,;-6.41,-18.76,;-6.41,-21.42,;-5.64,-22.76,;-6.41,-24.09,;-7.95,-24.09,;-8.72,-25.42,;-8.72,-22.76,;-7.95,-21.42,;-8.72,-20.09,;-4.1,-22.76,;2.83,-18.76,;3.6,-20.09,)|
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)[C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2o1 |wD:25.26,(3.82,-20.03,;3.83,-21.57,;5.16,-22.34,;5.17,-23.87,;3.83,-24.64,;2.5,-23.88,;2.49,-22.35,;3.83,-26.18,;5.17,-26.95,;5.17,-28.49,;6.5,-29.26,;3.84,-29.26,;3.85,-30.8,;5.18,-31.56,;2.51,-31.57,;1.18,-30.81,;-.15,-31.58,;1.18,-29.26,;-.15,-28.5,;-1.48,-29.27,;-2.82,-28.5,;-2.83,-26.97,;-1.5,-26.19,;-.16,-26.96,;1.17,-26.18,;-4.15,-29.27,;-4.15,-30.83,;-5.49,-31.6,;-5.49,-33.14,;-6.83,-30.84,;-8.17,-31.6,;-8.17,-33.14,;-9.51,-30.83,;-9.5,-29.29,;-10.84,-28.52,;-8.18,-28.52,;-6.84,-29.28,;-5.5,-28.5,;2.5,-28.49,;2.49,-26.96,)|
Oc1ccc(cc1)-c1cc(=O)c2c(O)c(Oc3ccc(cc3)-c3cc(O)c4c(cc(O)cc4=O)o3)c(O)cc2o1
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(6.65,-6.92,;5.32,-7.68,;5.32,-9.22,;6.66,-9.99,;6.66,-11.53,;5.32,-12.3,;3.99,-11.54,;3.99,-10,;5.32,-13.84,;6.66,-14.6,;6.66,-16.14,;7.99,-16.91,;5.33,-16.91,;5.34,-18.45,;6.68,-19.22,;4.01,-19.23,;2.67,-18.46,;1.34,-19.23,;1.34,-20.77,;2.68,-16.92,;1.34,-16.15,;.01,-16.92,;-1.33,-16.15,;-1.33,-14.62,;-.01,-13.84,;1.34,-14.61,;2.67,-13.83,;-2.66,-16.92,;-2.66,-18.48,;-4,-19.26,;-4,-20.8,;-5.34,-18.49,;-5.35,-16.94,;-6.68,-16.17,;-8.01,-16.94,;-9.34,-16.17,;-8.01,-18.49,;-6.68,-19.26,;-6.68,-20.8,;-4.01,-16.15,;4,-16.15,;3.98,-14.61,)|
COc1ccc(cc1-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.11,3.19,;1.77,3.96,;.44,3.18,;-.9,3.95,;-2.23,3.17,;-2.22,1.64,;-.88,.87,;.45,1.64,;1.63,-.31,;.31,-1.08,;-1.02,-.31,;-2.35,-1.08,;.31,-2.62,;1.63,-3.39,;1.63,-4.93,;2.97,-2.62,;2.97,-1.07,;4.3,-.3,;5.64,-1.08,;5.64,-2.62,;4.3,-3.39,;4.3,-4.93,;6.98,-.31,;8.3,-1.08,;9.64,-.32,;9.64,1.22,;10.97,1.99,;8.3,1.99,;6.98,1.22,;-3.55,.87,;-3.54,-.68,;-4.87,-1.45,;-4.87,-2.99,;-6.21,-.69,;-6.22,.85,;-7.56,1.62,;-8.88,.85,;-10.21,1.62,;-8.88,-.7,;-7.55,-1.47,;-7.56,-3,;-4.89,1.64,)|
COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(O)c(c1)-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(19.38,-32.95,;18.04,-33.72,;18.05,-35.26,;19.38,-36.03,;19.39,-37.58,;20.73,-38.35,;20.73,-39.9,;19.38,-40.68,;18.04,-39.9,;16.7,-40.67,;18.04,-38.35,;16.72,-37.58,;15.38,-38.35,;16.72,-36.03,;22.07,-40.66,;23.39,-39.89,;24.73,-40.65,;24.74,-42.2,;26.07,-42.96,;23.4,-42.97,;22.07,-42.2,;23.41,-44.5,;22.07,-45.27,;20.73,-44.5,;19.4,-45.27,;22.07,-46.81,;23.41,-47.58,;23.4,-49.12,;24.75,-46.8,;24.74,-45.26,;26.06,-44.49,;27.39,-45.25,;27.4,-46.79,;26.07,-47.56,;26.06,-49.1,;28.72,-44.47,;30.06,-45.24,;31.39,-44.47,;31.38,-42.92,;32.72,-42.15,;30.04,-42.16,;28.71,-42.94,)|
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(43.19,-4.38,;41.85,-3.62,;40.52,-4.4,;40.52,-5.94,;39.19,-6.72,;37.85,-5.95,;37.85,-4.41,;39.17,-3.64,;36.53,-6.73,;36.53,-8.26,;35.21,-9.03,;35.2,-10.57,;33.88,-8.28,;32.54,-9.06,;32.53,-10.6,;31.21,-8.29,;31.2,-6.75,;29.87,-5.98,;32.54,-5.98,;32.54,-4.44,;31.2,-3.68,;31.2,-2.13,;32.53,-1.36,;33.86,-2.12,;33.87,-3.67,;35.21,-4.44,;36.54,-3.66,;29.86,-1.37,;28.52,-2.15,;27.17,-1.37,;25.84,-2.14,;27.18,.17,;28.52,.95,;28.52,2.5,;27.18,3.26,;27.18,4.8,;25.85,2.49,;25.85,.95,;24.51,.18,;29.86,.17,;33.87,-6.74,;35.19,-5.96,)|
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(32.66,-38.98,;32.67,-40.52,;31.34,-41.3,;31.35,-42.84,;30.02,-43.62,;28.68,-42.85,;28.67,-41.32,;29.99,-40.54,;27.35,-43.63,;27.36,-45.16,;26.03,-45.93,;26.02,-47.47,;24.7,-45.18,;23.36,-45.96,;23.35,-47.5,;22.03,-45.19,;22.02,-43.65,;20.69,-42.88,;20.69,-41.34,;23.36,-42.88,;23.36,-41.34,;22.02,-40.58,;22.02,-39.03,;23.35,-38.26,;24.68,-39.02,;24.69,-40.57,;26.03,-41.34,;20.69,-38.27,;19.34,-39.05,;17.99,-38.28,;16.66,-39.04,;18,-36.73,;19.34,-35.95,;19.34,-34.4,;18,-33.64,;18,-32.1,;16.66,-31.33,;16.67,-34.41,;16.67,-35.96,;15.33,-36.72,;20.68,-36.73,;24.69,-43.64,;26.01,-42.86,)|
COc1cc2O[C@@H](CC(=O)c2c(O)c1C)c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |r,wD:6.16,(21.01,-13.22,;19.68,-13.99,;19.68,-15.53,;21.02,-16.29,;21.03,-17.84,;22.36,-18.61,;22.37,-20.15,;21.02,-20.94,;19.68,-20.16,;18.34,-20.93,;19.68,-18.61,;18.35,-17.84,;17.02,-18.61,;18.35,-16.3,;17.02,-15.53,;23.7,-20.92,;25.03,-20.14,;26.35,-20.91,;26.36,-22.45,;27.7,-23.21,;29.03,-22.44,;25.03,-23.22,;23.7,-22.46,;25.04,-24.75,;23.7,-25.53,;22.37,-24.75,;23.71,-27.06,;25.04,-27.83,;25.03,-29.37,;26.37,-27.05,;26.36,-25.52,;27.68,-24.74,;29.02,-25.5,;29.02,-27.04,;27.7,-27.8,;27.69,-29.34,;30.34,-24.73,;31.68,-25.5,;33.01,-24.72,;33.01,-23.18,;34.34,-22.4,;31.66,-22.42,;30.34,-23.19,)|
COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.27,-31.58,;3.27,-33.11,;1.94,-33.89,;.61,-33.11,;-.73,-33.89,;-.73,-35.42,;.61,-36.2,;1.94,-35.42,;3.27,-36.2,;4.6,-35.42,;4.6,-33.89,;5.93,-36.2,;5.93,-37.73,;7.27,-38.51,;4.6,-38.51,;3.27,-37.73,;1.94,-38.51,;1.94,-40.04,;3.27,-40.81,;4.6,-40.04,;5.93,-40.81,;.61,-40.81,;.61,-42.35,;-.73,-43.12,;-2.06,-42.35,;-3.39,-43.12,;-2.06,-40.81,;-.73,-40.04,;-2.06,-36.2,;-2.06,-37.73,;-3.39,-38.51,;-3.39,-40.04,;-4.73,-37.73,;-4.73,-36.2,;-6.06,-35.42,;-7.39,-36.2,;-8.72,-35.42,;-7.39,-37.73,;-6.06,-38.51,;-6.06,-40.04,;-3.39,-35.42,)|
COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-8.64,-2.46,;-8.63,-4,;-7.29,-4.77,;-5.96,-3.99,;-4.63,-4.75,;-3.3,-3.96,;-1.95,-4.73,;-1.94,-6.28,;-3.28,-7.06,;-3.27,-8.6,;-4.61,-6.3,;-5.94,-7.06,;-5.93,-8.6,;-7.27,-6.31,;-.63,-3.95,;-.64,-2.41,;.68,-1.63,;2.03,-2.39,;3.35,-1.62,;3.34,-.08,;2.04,-3.94,;.71,-4.71,;3.37,-4.69,;3.38,-6.24,;2.05,-7.01,;4.72,-7,;6.05,-6.22,;7.39,-6.98,;6.04,-4.68,;4.7,-3.92,;4.68,-2.38,;6.02,-1.6,;7.36,-2.36,;7.36,-3.9,;8.7,-4.67,;6.02,-.06,;7.35,.72,;7.34,2.26,;6,3.02,;5.99,4.56,;4.67,2.23,;4.68,.7,)|
COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(O)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-7.9,-15.38,;-6.36,-15.38,;-5.59,-14.05,;-4.05,-14.05,;-3.28,-12.71,;-1.74,-12.71,;-.97,-11.38,;-1.74,-10.05,;-3.28,-10.05,;-4.05,-8.71,;-4.05,-11.38,;-5.59,-11.38,;-6.36,-10.05,;-6.36,-12.71,;.57,-11.38,;1.34,-12.71,;2.88,-12.71,;3.65,-11.38,;5.19,-11.38,;2.88,-10.05,;1.34,-10.05,;3.65,-8.71,;2.88,-7.37,;1.34,-7.37,;3.65,-6.05,;5.19,-6.05,;5.96,-4.71,;5.96,-7.37,;5.19,-8.71,;5.96,-10.05,;7.5,-10.05,;8.28,-8.71,;7.5,-7.37,;8.28,-6.05,;8.28,-11.38,;9.82,-11.38,;10.58,-12.71,;9.82,-14.05,;10.58,-15.38,;8.28,-14.05,;7.5,-12.71,)|
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(24.55,-16.67,;23.22,-17.45,;21.88,-16.69,;21.86,-15.15,;20.52,-14.39,;19.19,-15.18,;19.21,-16.72,;20.55,-17.48,;17.85,-14.43,;17.84,-12.89,;16.5,-12.13,;16.48,-10.59,;15.17,-12.91,;13.83,-12.16,;13.81,-10.61,;12.5,-12.94,;12.52,-14.48,;11.19,-15.26,;13.86,-15.24,;13.88,-16.78,;12.55,-17.56,;12.57,-19.1,;13.91,-19.86,;15.24,-19.07,;15.22,-17.53,;16.54,-16.75,;11.24,-19.88,;9.9,-19.13,;8.57,-19.91,;7.24,-19.16,;8.59,-21.45,;9.93,-22.21,;9.95,-23.75,;8.62,-24.53,;8.64,-26.08,;7.32,-26.86,;7.28,-23.78,;7.26,-22.23,;5.92,-21.48,;11.26,-21.43,;15.19,-14.46,;16.53,-15.21,)|
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1 |(5.18,-39.53,;3.84,-40.3,;3.85,-41.86,;2.51,-42.63,;1.18,-41.86,;1.18,-40.31,;2.51,-39.54,;-.15,-42.62,;-.15,-44.15,;-1.48,-44.92,;-1.48,-46.46,;-2.8,-44.15,;-4.14,-44.93,;-4.14,-46.48,;-5.47,-44.16,;-5.47,-42.62,;-6.8,-41.84,;-4.13,-41.86,;-4.13,-35.97,;-5.46,-35.2,;-6.8,-35.97,;-5.46,-33.67,;-4.13,-32.9,;-4.13,-31.36,;-2.8,-33.65,;-2.79,-35.2,;-1.45,-35.97,;-.11,-35.19,;-.12,-33.64,;-1.46,-32.87,;-1.46,-31.33,;1.21,-35.96,;1.22,-37.5,;2.55,-38.27,;3.88,-37.5,;5.22,-38.27,;3.88,-35.96,;2.55,-35.19,;-2.8,-42.62,;-1.48,-41.85,)|
COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(12.24,-14.8,;12.24,-16.34,;13.58,-17.11,;14.91,-16.34,;16.24,-17.1,;17.58,-16.32,;18.93,-17.11,;18.92,-18.66,;17.58,-19.43,;17.57,-20.97,;16.24,-18.66,;14.91,-19.42,;14.91,-20.96,;13.58,-18.65,;20.26,-16.34,;20.26,-14.81,;21.59,-14.04,;22.93,-14.82,;24.26,-14.05,;24.26,-12.51,;22.92,-16.36,;21.59,-17.12,;24.25,-17.13,;24.21,-18.66,;22.86,-19.39,;21.55,-18.59,;25.52,-19.48,;26.88,-18.75,;28.19,-19.56,;26.93,-17.21,;25.61,-16.4,;25.65,-14.85,;27.02,-14.11,;28.34,-14.93,;28.29,-16.48,;29.6,-17.3,;27.07,-12.57,;28.43,-11.86,;28.48,-10.32,;27.18,-9.5,;27.22,-7.97,;25.81,-10.24,;25.77,-11.77,)|
Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(14.56,-27.41,;13.23,-26.63,;11.89,-27.39,;10.56,-26.61,;10.57,-25.07,;11.9,-24.31,;13.23,-25.08,;9.25,-24.3,;7.91,-25.06,;6.59,-24.28,;5.25,-25.04,;6.6,-22.75,;5.27,-21.99,;3.93,-22.76,;5.28,-20.46,;6.6,-19.69,;6.6,-18.15,;7.93,-20.45,;7.93,-21.99,;9.26,-22.76,;3.95,-19.69,;2.61,-20.46,;1.28,-19.68,;1.28,-18.14,;2.61,-17.37,;3.95,-18.15,;5.29,-17.38,;-.06,-20.44,;-.06,-22,;-1.41,-22.77,;-1.41,-24.31,;-2.75,-21.99,;-2.75,-20.44,;-4.08,-19.67,;-5.41,-20.45,;-6.75,-19.67,;-5.42,-21.99,;-4.08,-22.76,;-4.08,-24.3,;-1.41,-19.66,)|
COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1-c1cc(ccc1O)-c1cc(O)c2c(cc(O)cc2=O)o1 |(22.48,-45.72,;23.81,-44.95,;25.14,-45.72,;25.14,-47.26,;26.47,-48.03,;26.47,-49.57,;27.81,-47.26,;27.81,-45.71,;29.14,-44.93,;30.48,-45.71,;30.48,-47.26,;29.14,-48.03,;29.14,-49.57,;31.82,-44.95,;33.14,-45.72,;34.48,-44.95,;34.48,-43.41,;35.82,-42.64,;33.14,-42.64,;31.81,-43.41,;26.47,-44.95,;25.28,-42.99,;23.95,-43.76,;22.62,-42.99,;22.61,-41.46,;23.93,-40.68,;25.28,-41.45,;26.61,-40.67,;21.29,-43.77,;21.29,-45.31,;19.96,-46.09,;19.96,-47.63,;18.62,-45.33,;18.61,-43.78,;17.27,-43.02,;15.95,-43.79,;14.62,-43.02,;15.95,-45.33,;17.28,-46.1,;17.28,-47.64,;19.94,-42.99,)|
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(25.11,-22.48,;26.42,-23.29,;26.38,-24.83,;27.68,-25.64,;27.63,-27.18,;26.27,-27.9,;24.97,-27.1,;25.01,-25.56,;26.22,-29.44,;27.54,-30.25,;27.49,-31.81,;28.8,-32.62,;26.13,-32.54,;26.08,-34.07,;27.39,-34.88,;24.72,-34.8,;23.41,-33.99,;22.06,-34.72,;20.75,-33.91,;23.45,-32.45,;22.12,-31.68,;20.79,-32.44,;19.46,-31.66,;19.46,-30.13,;20.79,-29.36,;22.13,-30.14,;23.46,-29.37,;23.46,-27.83,;18.13,-32.43,;18.12,-33.98,;16.78,-34.75,;16.77,-36.29,;15.44,-33.98,;15.44,-32.42,;14.11,-31.66,;12.78,-32.43,;11.44,-31.66,;11.44,-30.12,;12.78,-33.98,;14.11,-34.75,;14.11,-36.28,;16.78,-31.65,;24.8,-31.72,;24.85,-30.17,)|
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(10.61,-33.01,;9.27,-32.25,;7.94,-33.02,;7.94,-34.56,;6.61,-35.34,;5.28,-34.57,;5.27,-33.03,;6.6,-32.26,;3.95,-35.34,;3.95,-36.87,;2.63,-37.63,;2.63,-39.17,;1.31,-36.87,;-.03,-37.66,;-.03,-39.2,;-1.36,-36.89,;-1.36,-35.35,;-2.69,-34.58,;-.02,-34.58,;-.02,-33.04,;-1.36,-32.27,;-1.35,-30.73,;-.03,-29.96,;1.31,-30.73,;1.31,-32.27,;2.65,-33.04,;3.98,-32.27,;-2.68,-29.97,;-2.68,-28.42,;-4.03,-27.64,;-4.03,-26.1,;-5.36,-28.42,;-5.36,-29.97,;-6.7,-30.74,;-8.03,-29.97,;-9.37,-30.74,;-10.7,-29.97,;-8.03,-28.42,;-6.7,-27.64,;-6.7,-26.1,;-4.02,-30.74,;1.3,-35.35,;2.62,-34.57,)|
COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(31.87,-8.18,;30.33,-8.18,;29.56,-6.85,;30.33,-5.52,;29.56,-4.18,;28.02,-4.18,;27.25,-5.52,;28.02,-6.85,;27.25,-2.85,;28.02,-1.51,;27.25,-.18,;28.02,1.15,;25.71,-.18,;24.94,1.15,;25.71,2.49,;23.4,1.15,;22.63,-.18,;21.09,-.18,;20.32,1.15,;23.4,-1.51,;22.63,-2.85,;21.09,-2.85,;20.32,-4.18,;21.09,-5.52,;22.63,-5.52,;23.4,-4.18,;24.94,-4.18,;25.71,-5.52,;18.78,-4.18,;18.01,-2.85,;16.47,-2.85,;15.69,-1.51,;15.69,-4.18,;16.47,-5.52,;15.69,-6.85,;14.15,-6.85,;13.39,-8.18,;13.39,-5.52,;14.15,-4.18,;13.39,-2.85,;18.01,-5.52,;24.94,-1.51,;25.71,-2.85,)|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCOCC1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1ccoc1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1ccco1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1cccs1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C#N |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1ccsc1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C#N |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1ccnc1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)S(C)(=O)=O |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-c1cscn1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)CO |r|
CCc1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1nccn1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)=C |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1CCCCO1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCOCC1=O |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCOCOC1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCNC1=O |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)N1CC2CC1CO2 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCOCC1=O |r|
CN(C)c1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)N1CC2CCC1C2 |r|
CC(C)Cc1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1C2CCC(C2)C1=O |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1COCCO1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCCC1=O |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(I)c1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1CCCO1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1(C)CCCO1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCOC1=O |r|
C\C=C(/C)c1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCC1=O |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCNC1=O |r|
CCC(C)(C)c1cccc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCCC1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCO1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCC1 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCC1=O |r|
Clc1ccccc1CC(=O)Nc1cc(Br)ccc1OCCNC1CCCCC1
OCCCCCNCCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Cl
CCCCCCNCCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Cl
NCCCNCCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Cl
NCCCCCCNCCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Cl
Clc1ccccc1CC(=O)Nc1cc(Br)ccc1OCCNC1CC1
Clc1ccccc1CC(=O)Nc1cc(Br)ccc1OCCN1CCCCC1
NC(=N)SCc1c(F)cccc1Cl
Fc1cccc(Cl)c1CN1CCNCC1
Nc1ccc2cc(F)ccc2n1
Fc1cccc(c1)C1NCCc2sccc12
Nc1ccc2cc(ccc2n1)-c1ccccc1C(F)(F)F
Nc1ccc2cc(ccc2n1)-c1ccccc1F
FC(F)(F)C(=O)NC1CCCCC1
Cc1ccc2nc(N)ccc2c1
NC1=Nc2ccccc2Sc2cccc(F)c12 |t:1|
Nc1ccc2cc(ccc2n1)C(F)(F)F
Nc1cc(c2ccccc2n1)C(F)(F)F
Cc1cc(nc2c1cccc2)N
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |t:1|
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
[H][C@@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCNc4c5CCCCc5nc5cc(Cl)ccc45)c3[C@@]([H])(CC(C)=C1)C2
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
[H][C@]12Cc3nc4cc(Cl)ccc4c(NCCCCCCCNc4c5CCCCc5nc5cc(Cl)ccc45)c3[C@]([H])(CC(C)=C1)C2
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
CN1C(N)=NC(C1=O)(c1cncnc1)c1cccc(c1)-c1cccc(Cl)c1 |c:3|
CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccc(Cl)c1)c1ncccn1 |c:3|
CN1C(N)=NC(C1=O)(c1cccnc1)c1cccc(c1)-c1cccc(Cl)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccncc1 |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cncc(C)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cnccn1 |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cncc(F)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cncc(c1)C#N |c:3|
COc1cccc(c1)-c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccccc1 |r,t:17|
CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccnc1 |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cncc(Cl)c1 |c:3|
COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)C1CC1 |t:17|
CN1C(N)=N[C@](C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1 |r,c:3|
COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)C1CC1 |t:17|
COc1cccc(c1)-c1cccc(c1)[C@@]1(N=C(N)N(C)C1=O)c1ccccc1 |r,t:17|
CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccc(c1)C#N |c:3|
CN1C(N)=NC(C1=O)(c1nccs1)c1cccc(c1)-c1cccc(Cl)c1 |c:3|
CN1C(N)=N[C@@](C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1 |r,c:3|
CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cc(Cl)cc(Cl)c1 |c:3|
CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(C)c1 |c:3|
CCC1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccc(Cl)c1 |t:3|
CC(C)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccc(Cl)c1 |t:4|
CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(F)c1 |c:3|
CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(c1)C#N |c:3|
CN1C(N)=NC(C)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccccc1 |c:3|
CN1C(N)=N[C@@](C2CC2)(C1=O)c1cccc(c1)-c1cncc(Cl)c1 |r,c:3|
COc1ccc(cc1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:17|
CC#Cc1cncc(c1)-c1cccc(c1)[C@]1(N=C(N)N(C)C1=O)C1CC1 |r,t:18|
CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccc(Cl)c1)c1ccccn1 |c:3|
COc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:17|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(F)c1 |c:3|
CN1C(N)=NC(C1=O)(c1cccc(c1)-c1cccc(Cl)c1)C1(C)CC1 |c:3|
CCOc1cccc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:18|
CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cncc(Cl)c1 |c:3|
CN1C(N)=NC(CC2CC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)C#N |c:3|
CN1C(N)=NC(C2CCCC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(C)c1 |c:3|
CN1C(N)=NC(C2CCCCC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cccnc1 |c:3|
CN1C(N)=NC(C2CC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccccn1 |c:3|
CN1C(N)=NC(C2CCC2)(C1=O)c1cccc(c1)-c1cccc(Cl)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccncc1)c1cccc(c1)-c1cccc(Cl)c1 |c:3|
C[C@@H]1CC[C@]11C[C@H](NC[C@@H](O)[C@H](Cc2ccc(F)cc2)NC(C)=O)c2cc(CC(C)(C)C)cnc2O1 |r|
C[C@H]1C[C@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)c(F)c1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2 |r,wU:6.7,1.0,wD:9.10,11.22,3.3,(31.56,-19.68,;30.47,-20.77,;30.47,-22.31,;28.93,-22.31,;28.93,-20.77,;27.59,-21.54,;26.25,-22.32,;24.91,-21.56,;23.58,-22.33,;22.25,-21.57,;22.24,-20.03,;20.91,-22.34,;20.92,-23.88,;19.59,-24.66,;19.61,-26.19,;18.28,-26.97,;16.93,-26.21,;15.61,-26.99,;16.93,-24.67,;15.59,-23.9,;18.26,-23.89,;19.58,-21.58,;19.57,-20.04,;18.23,-19.28,;20.9,-19.26,;26.26,-23.86,;24.93,-24.63,;24.93,-26.18,;23.6,-26.95,;23.6,-28.49,;22.26,-29.25,;24.93,-29.26,;23.58,-30.02,;26.27,-26.95,;27.6,-26.18,;27.6,-24.63,;28.93,-23.86,)|
C[C@H]1C[C@@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2 |r,wU:6.7,wD:9.10,11.21,3.2,1.0,(16.09,-18.99,;15,-20.08,;13.46,-20.08,;13.46,-21.62,;15,-21.62,;12.11,-20.86,;10.77,-21.64,;9.43,-20.87,;8.1,-21.65,;6.77,-20.88,;6.76,-19.34,;5.44,-21.66,;5.44,-23.2,;4.11,-23.97,;2.78,-23.21,;1.45,-23.98,;1.46,-25.52,;.13,-26.3,;2.8,-26.29,;4.13,-25.51,;4.1,-20.9,;4.09,-19.36,;2.76,-18.59,;5.42,-18.58,;10.78,-23.18,;9.46,-23.95,;9.45,-25.49,;8.12,-26.26,;8.12,-27.8,;6.78,-28.57,;9.45,-28.57,;8.1,-29.34,;10.79,-26.26,;12.12,-25.49,;12.12,-23.95,;13.45,-23.17,)|
C[C@H]1C[C@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2 |r,wU:6.7,1.0,wD:9.10,11.21,3.3,(1.21,-19.22,;.12,-20.31,;.12,-21.85,;-1.42,-21.85,;-1.42,-20.31,;-2.77,-21.09,;-4.11,-21.86,;-5.44,-21.1,;-6.77,-21.87,;-8.11,-21.11,;-8.12,-19.57,;-9.44,-21.88,;-9.43,-23.42,;-10.77,-24.2,;-12.11,-23.43,;-13.44,-24.21,;-13.43,-25.75,;-14.76,-26.53,;-12.08,-26.51,;-10.75,-25.73,;-10.78,-21.12,;-10.79,-19.58,;-12.13,-18.82,;-9.46,-18.8,;-4.09,-23.4,;-5.42,-24.17,;-5.43,-25.72,;-6.76,-26.49,;-6.76,-28.03,;-8.1,-28.8,;-5.43,-28.8,;-6.77,-29.56,;-4.09,-26.49,;-2.75,-25.72,;-2.75,-24.17,;-1.42,-23.4,)|
C[C@H]1CC[C@@]11C[C@H](NC[C@@H](O)[C@H](Cc2ccc(F)cc2)NC(C)=O)c2cc(CC(C)(C)C)cnc2O1 |r|
CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CC(F)(F)C2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12 |r,wU:17.17,wD:13.14,4.3,19.20,21.22,(32.88,-32.05,;34.22,-32.82,;35.55,-32.04,;34.22,-34.36,;35.56,-35.12,;35.57,-36.66,;34.24,-37.44,;32.9,-36.67,;31.57,-37.45,;31.58,-38.99,;32.93,-39.75,;32.94,-41.29,;34.25,-38.97,;36.89,-34.35,;36.88,-32.81,;38.23,-35.11,;39.56,-34.33,;40.9,-35.1,;42.24,-34.32,;43.58,-35.08,;43.58,-33.54,;45.12,-33.54,;46.21,-32.46,;45.12,-35.08,;43.58,-36.64,;42.25,-37.41,;42.25,-38.95,;40.91,-39.73,;39.58,-38.96,;38.24,-39.72,;38.24,-41.26,;36.91,-42.03,;39.57,-42.04,;38.23,-42.8,;39.58,-37.41,;40.91,-36.64,)|
CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12 |r,wU:17.17,21.22,wD:13.14,4.3,19.24,(-13.45,-30.2,;-12.11,-30.97,;-10.78,-30.19,;-12.1,-32.51,;-10.76,-33.27,;-10.76,-34.81,;-12.1,-35.59,;-13.43,-34.82,;-14.76,-35.59,;-14.75,-37.14,;-16.08,-37.91,;-13.4,-37.9,;-12.08,-37.12,;-9.43,-32.5,;-9.44,-30.96,;-8.1,-33.26,;-6.77,-32.48,;-5.43,-33.25,;-4.09,-32.47,;-2.74,-33.23,;-1.2,-33.23,;-1.2,-31.69,;-.12,-30.6,;-2.74,-31.69,;-2.75,-34.79,;-4.08,-35.56,;-4.08,-37.1,;-5.41,-37.88,;-6.75,-37.1,;-8.08,-37.87,;-8.08,-39.41,;-9.42,-40.18,;-6.75,-40.18,;-8.1,-40.95,;-6.75,-35.56,;-5.42,-34.79,)|
C[C@H]1C[C@@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)c(F)c1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2 |r,wU:6.7,wD:9.10,11.22,3.2,1.0,(46.38,-21.19,;45.29,-22.27,;43.75,-22.27,;43.75,-23.81,;45.29,-23.81,;42.41,-23.05,;41.07,-23.83,;39.73,-23.06,;38.4,-23.84,;37.06,-23.08,;37.06,-21.54,;35.73,-23.85,;35.74,-25.39,;34.41,-26.17,;34.42,-27.7,;33.1,-28.48,;31.75,-27.72,;30.42,-28.5,;31.75,-26.18,;30.41,-25.41,;33.07,-25.4,;34.39,-23.09,;34.39,-21.55,;33.05,-20.78,;35.72,-20.77,;41.08,-25.37,;39.75,-26.14,;39.75,-27.69,;38.41,-28.45,;38.41,-29.99,;37.08,-30.76,;39.74,-30.77,;38.4,-31.53,;41.08,-28.46,;42.42,-27.68,;42.42,-26.14,;43.75,-25.37,)|
CC(C)(C)Cc1cnc2O[C@@]3(C[C@H](O)C3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)CF)c2c1 |r,wU:16.17,wD:19.20,21.31,10.10,12.12,(-3.79,-4.61,;-2.45,-3.84,;-1.12,-4.61,;-2.47,-5.37,;-2.45,-2.3,;-1.12,-1.53,;.22,-2.3,;1.55,-1.53,;1.55,.02,;2.88,.79,;2.89,2.34,;2.89,3.88,;4.43,3.88,;5.52,4.97,;4.43,2.34,;1.54,3.1,;.2,2.33,;-1.14,3.09,;-2.47,2.32,;-3.8,3.08,;-3.81,4.62,;-5.13,2.3,;-5.13,.76,;-6.46,-.01,;-7.79,.76,;-9.12,-.02,;-9.11,-1.56,;-10.44,-2.34,;-7.77,-2.32,;-6.44,-1.55,;-6.47,3.07,;-6.48,4.61,;-5.15,5.38,;-7.81,5.37,;-7.82,6.91,;.21,.79,;-1.11,.02,)|
CC(=O)N[C@@H](CC=C)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12 |r,wU:12.11,wD:8.8,4.3,14.14,16.16,(9.62,4.78,;10.96,4.02,;12.29,4.79,;10.97,2.48,;12.3,1.71,;12.31,.17,;10.98,-.6,;9.65,.16,;13.64,2.49,;13.63,4.03,;14.97,1.72,;16.3,2.5,;17.64,1.74,;18.98,2.51,;20.32,1.75,;20.32,3.29,;21.86,3.29,;22.95,4.38,;21.86,1.75,;20.32,.2,;18.99,-.57,;18.99,-2.12,;17.66,-2.89,;16.32,-2.12,;14.99,-2.89,;14.99,-4.43,;13.65,-5.2,;16.32,-5.2,;14.97,-5.97,;16.32,-.58,;17.65,.2,)|
CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12 |r,wU:17.17,wD:13.14,4.3,19.20,21.22,(16.97,-42.9,;18.31,-43.67,;19.64,-42.89,;18.32,-45.21,;19.65,-45.97,;19.66,-47.51,;18.33,-48.29,;17,-47.52,;15.67,-48.3,;15.67,-49.84,;14.35,-50.62,;17.02,-50.6,;18.35,-49.82,;20.99,-45.2,;20.98,-43.66,;22.32,-45.96,;23.65,-45.18,;24.99,-45.95,;26.33,-45.17,;27.67,-45.93,;27.67,-44.39,;29.21,-44.39,;30.3,-43.31,;29.21,-45.93,;27.67,-47.49,;26.34,-48.26,;26.34,-49.8,;25.01,-50.58,;23.67,-49.81,;22.34,-50.57,;22.34,-52.11,;21,-52.88,;23.67,-52.89,;22.32,-53.65,;23.67,-48.26,;25,-47.49,)|
COCC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12 |r,wU:19.19,wD:15.16,6.5,21.22,23.24,(30.27,-40.49,;31.6,-41.26,;31.61,-42.8,;32.95,-43.56,;34.28,-42.78,;32.96,-45.1,;34.29,-45.86,;34.3,-47.4,;32.97,-48.18,;31.64,-47.41,;30.31,-48.19,;30.31,-49.73,;28.98,-50.51,;31.66,-50.49,;32.98,-49.71,;35.62,-45.09,;35.62,-43.55,;36.96,-45.85,;38.29,-45.08,;39.63,-45.84,;40.97,-45.06,;42.31,-45.83,;42.31,-44.29,;43.85,-44.29,;44.94,-43.2,;43.85,-45.83,;42.31,-47.38,;40.98,-48.15,;40.98,-49.7,;39.64,-50.47,;38.31,-49.7,;36.97,-50.47,;36.97,-52.01,;35.64,-52.77,;38.31,-52.78,;36.96,-53.54,;38.31,-48.15,;39.64,-47.38,)|
C[C@H]1CC[C@]11C[C@H](NC[C@@H](O)[C@H](Cc2ccc(F)cc2)NC(C)=O)c2cc(CC(C)(C)C)cnc2O1 |r|
CC(=O)N[C@@H](Cc1ccc(cc1)F)[C@@H](CN[C@H]2CC3(CCC3)Oc4c2cc(cn4)CC(C)(C)C)O
CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
C[C@@H]1CC[C@@]11C[C@H](NC[C@@H](O)[C@H](Cc2ccc(F)cc2)NC(C)=O)c2cc(CC(C)(C)C)cnc2O1 |r|
CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12 |r,wU:17.17,wD:13.14,4.3,19.20,21.22,(1.87,-30.75,;3.21,-31.51,;4.54,-30.74,;3.21,-33.05,;4.55,-33.82,;4.56,-35.36,;3.23,-36.13,;1.89,-35.36,;.56,-36.14,;.57,-37.68,;-.76,-38.46,;1.92,-38.44,;3.24,-37.67,;5.88,-33.04,;5.87,-31.5,;7.22,-33.8,;8.55,-33.03,;9.89,-33.79,;11.23,-33.02,;12.57,-33.78,;12.57,-32.24,;14.11,-32.24,;15.2,-31.15,;14.11,-33.78,;12.57,-35.33,;11.24,-36.1,;11.24,-37.65,;9.9,-38.42,;8.57,-37.65,;7.23,-38.42,;7.23,-39.96,;5.9,-40.73,;8.56,-40.73,;7.22,-41.49,;8.57,-36.1,;9.9,-35.33,)|
CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12 |r,wU:17.17,21.22,wD:13.14,4.3,19.24,(17.15,-31.3,;18.49,-32.06,;19.82,-31.29,;18.5,-33.6,;19.83,-34.37,;19.84,-35.91,;18.51,-36.68,;17.18,-35.92,;15.85,-36.69,;15.85,-38.23,;17.2,-39,;17.21,-40.54,;18.52,-38.22,;21.16,-33.59,;21.16,-32.05,;22.5,-34.36,;23.83,-33.58,;25.17,-34.34,;26.51,-33.57,;27.85,-34.33,;29.39,-34.33,;29.39,-32.79,;30.48,-31.7,;27.85,-32.79,;27.85,-35.88,;26.52,-36.65,;26.52,-38.2,;25.18,-38.97,;23.85,-38.2,;22.52,-38.97,;22.51,-40.51,;21.18,-41.28,;23.85,-41.28,;22.5,-42.05,;23.85,-36.66,;25.18,-35.89,)|
CC(=O)N[C@@H](CC=C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12 |r,wU:17.17,21.22,wD:13.14,4.3,19.24,(2.1,-42.18,;3.44,-42.95,;4.77,-42.17,;3.45,-44.49,;4.78,-45.25,;4.79,-46.79,;3.46,-47.56,;2.13,-46.8,;.8,-47.57,;.8,-49.11,;-.53,-49.89,;2.15,-49.88,;3.47,-49.1,;6.11,-44.47,;6.11,-42.93,;7.45,-45.24,;8.78,-44.46,;10.12,-45.23,;11.46,-44.45,;12.8,-45.21,;14.34,-45.21,;14.34,-43.67,;15.43,-42.58,;12.8,-43.67,;12.8,-46.76,;11.47,-47.54,;11.47,-49.08,;10.13,-49.85,;8.8,-49.08,;7.47,-49.85,;7.46,-51.39,;6.13,-52.16,;8.8,-52.16,;7.45,-52.93,;8.8,-47.54,;10.13,-46.77,)|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O
CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(N)=O)C(O)=O |r|
CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(N)=O)C(O)=O |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(O)c(N)c(F)c3)[C@@H]2O)c1 |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(F)c3)[C@@H]2O)c1 |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCCC(F)(F)F)c3)[C@@H]2O)c1 |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1 |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCC(F)F)c3)[C@@H]2O)c1 |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OCCF)c3)[C@@H]2O)c1 |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(Br)c3)[C@@H]2O)c1 |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(Br)c3)[C@@H]2O)c1 |r|
CC(c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)Br)N)F)(F)F
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(OC(F)(F)F)c3)[C@@H]2O)c1 |r|
C[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F |r|
CC(C)Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N |r|
COCCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 |r|
CCOC[C@H](C(F)(F)F)Oc1cc(cc(c1N)F)C[C@@H]2CS(=O)(=O)C[C@@H]([C@H]2O)NCc3cccc(c3)C(C)(C)C
COC[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F |r|
CCCc1n[nH]c2ccc(C[C@@H]3CS(=O)(=O)C[C@H](NCc4cccc(c4)C(C)(C)C)[C@H]3O)cc12 |r|
CCOC[C@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]ccc4c3)[C@@H]2O)c1 |r|
CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3ccc4c(c3)c(c[nH]4)CC(F)F
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]cc(CC(F)(F)F)c4c3)[C@@H]2O)c1 |r|
CC(C)(C)c1ccnc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 |r|
CC(C)(C)O[C@H]1C[C@@H]1CN[C@H]1CS(=O)(=O)C[C@@H](Cc2cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c2)[C@@H]1O |r|
CCCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N |r|
N[C@H]1CS(=O)(=O)C[C@@H](Cc2cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c2)[C@@H]1O |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)nc3)[C@@H]2O)c1 |r|
COCCOC[C@@H](Oc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc4[nH]ncc4c3)[C@@H]2O)c1 |r|
CCc1c[nH]c2ccc(C[C@@H]3CS(=O)(=O)C[C@H](NCc4cccc(c4)C(C)(C)C)[C@H]3O)cc12 |r|
CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc4c(c(c3)F)NCC45CCC(CC5)(F)F
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc4c(NCC44CCC4)c(F)c3)[C@@H]2O)c1 |r|
Nc1c(F)cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(OC(F)(F)F)c3)[C@H]2O)cc1OC(C(F)(F)F)C(F)(F)F |r|
CC1(C)OCc2ccc(CN[C@H]3CS(=O)(=O)C[C@@H](Cc4cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c4)[C@@H]3O)cc12 |r|
CC(C)(CO)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 |r|
CC(C)(O)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)c1 |r|
CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N |r|
CN(C)CC(=O)Nc1ccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc1F |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(c3)-c3cc[nH]n3)[C@@H]2O)c1 |r|
CC(C)(C)Cc1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)no1 |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(c3)C3CC3)[C@@H]2O)c1 |r|
CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1NC(=O)CN(C)C |r|
CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1NC(C)=O |r|
CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)C[C@@H](C(F)(F)F)O
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(CCC(F)(F)F)c3)[C@@H]2O)c1 |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(c3)-c3ccoc3)[C@@H]2O)c1 |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(c3)-c3ccco3)[C@@H]2O)c1 |r|
CC(C)(C)Cn1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)cn1 |r|
CCCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)ccc1N |r|
CCCOc1cccc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)c1 |r|
CO[C@@H](Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F |r|
CCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N |r|
CCCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(OCC(F)(F)F)c3)[C@@H]2O)c1 |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC4COC4)c3)[C@@H]2O)c1 |r|
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC4CCC4)c3)[C@@H]2O)c1 |r|
CCCN1CCC[C@@]12CCN(C2=O)[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\CCNC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 |r,t:17|
CC(C)c1cccc(c1)CNC[C@H]([C@@H]2COC/C=C/C[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N2)c4ccccc4)O
CN(c1cc2cc(c1)C(=O)N[C@@H](COC\C=C\CCNC2=O)[C@H](O)CNCc1cccc(c1)C(C)(C)C)S(C)(=O)=O |r,t:16|
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C/CCN(C)C(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 |r,c:17|
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\CCCNC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 |r,t:17|
CN(c1cc2cc(c1)C(=O)N[C@@H](COCCCCCNC2=O)[C@H](O)CNCc1ccccc1)S(C)(=O)=O |r|
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\C[C@@H](NC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c2ccccc2)c1 |r,t:17|
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COCCCCCCNC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 |r|
CN(c1cc2cc(c1)C(=O)N[C@@H](COC\C=C\CCNC2=O)[C@H](O)CNCc1ccccc1)S(C)(=O)=O |r,t:16|
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COCCCCCNC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1 |r|
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\C[C@H](NC(=O)c3cc(C)cc(c3)C(=O)N2)c2ccccc2)c1 |r,t:17|
Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/C[C@@H](NC2=O)c3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O
Cc1cc2cc(c1)C(=O)N[C@@H](COC\C=C\CCNC2=O)[C@H](O)CNCc1ccccc1 |r,t:15|
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\CCNC(=O)c3cc(C)cc(c3)C(=O)N2)c1 |r,t:17|
Cc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1
COc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1
Clc1cccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)c1
Clc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1
Fc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1
COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4
COc1cc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc(OC)c1OC
C(Nc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1)c1ccc2OCOc2c1
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C=O |r|
Clc1ccccc1CNc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N1COC[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(O)=O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(Br)cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(I)cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
Cc1cc(cc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)Nc1cccc(c1)-c1nnn[nH]1 |r|
Cc1ccc(OCC(=O)N[C@@H]2[C@@H](O)Cc3ccc(NC(=O)COc4ccc(cc4C)C#N)cc23)cc1 |r|
Cc1ccc(OCC(=O)N[C@@H]2[C@H](O)Cc3ccc(NC(=O)COc4ccc(cc4C)C#N)cc23)cc1 |r|
Cc1ccc(OCC(=O)N[C@H]2[C@H](O)Cc3ccc(NC(=O)COc4ccc(cc4C)C#N)cc23)cc1 |r|
Cc1ccc(OCC(=O)N[C@H]2[C@@H](O)Cc3ccc(NC(=O)COc4ccc(cc4C)C#N)cc23)cc1 |r|
CCc1ccccc1SCC(O)Cn1c(cc2ccccc12)-c1ccccc1
OC(CSc1ccc2ccccc2c1)Cn1c(cc2ccccc12)-c1ccccc1
OC(CSc1ccccc1F)Cn1c2ccccc2c2ccccc12
OC(Cn1c2ccccc2c2ccccc12)C(O)Cn1c2ccccc2c2ccccc12
OC(CCn1c2ccccc2c2ccccc12)Cn1c2ccccc2c2ccccc12
OC(CSc1ccc2ccccc2c1)CSc1ccc2ccccc2c1
O[C@@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12 |r|
CCc1cccc2ccn(CC(O)CSc3ccccc3Cl)c12
OC(CSc1ccccc1F)Cn1c2CCCCc2c2ccccc12
O[C@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12 |r|
OC(CSc1ccccc1Cl)Cn1c2CCCCc2c2ccccc12
C(CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12
COc1ccc(SCC(O)Cn2c3CCCCc3c3ccccc23)cc1
Cc1ccccc1SCC(O)Cn1c2CCCc2c2ccccc12
OC(Cn1c2ccccc2c2ccccc12)Cn1c2ccccc2c2ccccc12
OC(CSc1ccc2ccccc2c1)C(O)Cn1c2ccccc2c2ccccc12
OC(CSc1ccc2ccccc2c1)Cn1ccc2ccccc12
OC(CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12
OC(COc1ccc(Cc2ccccc2)cc1)CSc1ccccc1Cl
Nc1cccc(SCC(O)Cn2c3ccccc3c3ccccc23)c1
OC(CCSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12
OC(CCn1c2ccccc2c2ccccc12)CSc1ccc2ccccc2c1
OC(COc1ccc(Cc2ccccc2)cc1)CSc1ccc(O)cc1
OC(CSc1ccc(O)cc1)Cn1c(cc2ccccc12)-c1ccccc1
OC(CSc1ccccc1O)Cn1c(cc2ccccc12)-c1ccccc1
C(Sc1ccc2ccccc2c1)C(Cn1c2ccccc2c2ccccc12)N1CCNCC1
NCCNC(CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12
NC(CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12
O=C(CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc12
CN(C1CCCCC1)C(=O)CC[C@H](N1Cc2cc(Oc3ccccc3)ccc2N=C1N)c1ccccc1 |r,c:31|
Cc1[nH]ncc1CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:45|
NC1=Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](CCC(=O)N(Cc1cn[nH]c1)C1CCCCC1)C1CCCCC1 |r,t:1|
Cn1cc(CN(C2CCCCC2)C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cn1 |r,c:42|
COCc1nc(CN(C2CCCCC2)C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cs1 |r,c:44|
CC(C)c1nc(CN(C2CCCCC2)C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cs1 |r,c:44|
Cc1nc(CCN(C2CCCCC2)C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cs1 |r,c:43|
CC(N(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)c1csc(C)n1 |r,c:39|
Cc1nc(CN(C2CCCCC2)C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cs1 |r,c:42|
Cc1nc(CN(C2CCCCC2)C(=O)OC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)cs1 |r,c:42|
CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCOC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38|
CN(C1CCCCC1)C(=O)OC[C@@H](C1CCCOC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38|
NC1=Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](COC(=O)NC1CCCCC1)C1CCCCC1 |r,t:1|
CN(C1CCCCC1)C(=O)OC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38|
CN(C1CCCCC1)C(=O)OC[C@H](N1Cc2cc(Oc3ccccc3)ccc2N=C1N)c1ccccc1 |r,c:31|
CC(=O)N[C@@H](Cc1ccc(C)c(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COc1cc(C[C@H](NC(C)=O)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc23)ccc1F |r|
CC(=O)N[C@@H](Cc1ccc(F)c(c1)C(F)(F)F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1ccc(F)cc1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1ccc(F)c(C)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1ccc(F)c(c1)C#N)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1ccc(F)c(OC(F)(F)F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1ccc(F)c(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COc1ccc(C[C@H](NC(C)=O)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc23)cc1F |r|
CC(=O)N[C@@H](Cc1ccccc1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1 |r|
CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(=O)c3cc(-c4ccccn4)c(=O)n(c3)C3CCCC3)c2c1 |r|
CC(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1ccc(Cl)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ccc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1ccc(c(F)c1)C(F)(F)F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CN1C(=O)C[C@](C)(N=C1N)c1csc(c1)-c1cccc(c1)C#N |r,c:7|
CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:24|
CN1C(=O)C[C@](C)(N=C1N)c1cccc(c1)-c1cccc(c1)C#N |r,c:7|
CC#Cc1cncc(c1)-c1cc(c(Cl)s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:25|
CN1C(=O)C[C@](C)(N=C1N)c1cc(cs1)-c1cccc(c1)C#N |r,c:7|
CN1C(=O)C[C@](C)(N=C1N)c1ccc(s1)-c1cccc(c1)C#N |r,c:7|
CN1C(=O)C[C@](C)(N=C1N)c1cccc(c1)-c1cccnc1 |r,c:7|
CN1C(=O)C[C@@](N=C1N)(c1ccccc1)c1cccc(c1)-c1cccc(c1)C#N |r,c:6|
CC#Cc1cncc(c1)-c1cc(cs1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:24|
CN1C(=O)C[C@@](N=C1N)(c1ccccc1)c1cccc(c1)-c1cccnc1 |r,c:6|
CC#Cc1cncc(c1)-c1ccc(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:24|
COc1cccc(c1)-c1cccc(c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r|
COc1cccc(c1)-c1cccc(c1)[C@@]1(CC(=O)N(C)C(N)=N1)c1ccccc1 |r,c:23|
NC1=N[C@](Cn2ccnc12)(C(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:1|
C[C@]1(Cn2cc(nc2C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F |r,c:10|
C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F |r,c:10|
C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
CCn1cc(cc(C(F)F)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#CC |r,t:14|
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cc(ccn1)C#CC |r,t:12|
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#CC |r,t:12|
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#N |r,t:12|
CN1C(=O)CC2(N=C1N)[C@H]1CCC3(CC1Oc1ccc(cc21)-c1cc(F)cc(Cl)c1)OCCO3 |r,c:6|
NC1=N[C@]2(CO1)[C@H]1C[C@H](COC1Oc1ccc(cc21)-c1cncc(Cl)c1)OCC1CC1 |r,t:1|
NC1=N[C@@]2(CO1)[C@H]1C[C@H](COC1Oc1ccc(cc21)-c1cncc(Cl)c1)OCC1CC1 |r,t:1|
NC1=N[C@@]2(CCOC1)c1cc(ccc1Oc1cnc(cc21)C1CCC(F)(F)C1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CCOC1)c1cc(ccc1Oc1cnc(cc21)-c1ccc(F)c(F)c1)-c1cccnc1F |r,t:1|
COC1CCC2(CC1)Oc1ccc(cc1C21N=C(C)C(N)=N1)-c1cncc(c1)C#CC |c:23,t:19|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)c(F)c(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(46.94,-22.47,;46.18,-21.13,;44.64,-21.12,;43.87,-19.78,;42.33,-19.76,;41.56,-21.1,;40.66,-22.35,;39.19,-21.88,;37.85,-22.66,;36.52,-21.89,;36.52,-20.35,;37.85,-19.58,;39.19,-20.34,;40.65,-19.85,;39.74,-18.62,;40.62,-17.36,;40.13,-15.9,;42.1,-17.82,;43.33,-16.91,;42.11,-19.36,;35.19,-19.58,;33.87,-20.35,;32.53,-19.58,;31.2,-20.36,;32.53,-18.04,;31.19,-17.27,;33.86,-17.27,;35.19,-18.04,;33.85,-15.73,;33.85,-14.19,;42.33,-22.43,;43.86,-22.44,)|
CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Cn2nc(CC(C)(C)C)cc12 |r|
CC(C)Cn1cc2[C@H](CC(C)(C)Cc2n1)NCC(=O)[C@H](Cc1ccccc1)NC(C)=O |r|
CC(C)Cn1cc2[C@H](CC(C)(C)Cc2n1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O |r|
CC(C)Cn1cc2[C@@H](CC(C)(C)Cc2n1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O |r|
CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Cc2nc(CC(C)(C)C)[nH]c12 |r|
CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Cc2nn(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Cc2oc(CC(C)(C)C)nc12 |r|
CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Oc2sc(CC(C)(C)C)cc12 |r|
CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2ccc3ccccc3c2)cc1
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCCC[n+]2ccc3ccccc3c2)cc1
CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2cccc3ccccc23)cc1
CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2ccccc2)cc1
CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cncc(F)c3)c2c1 |r|
CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cccnc3F)c2c1 |r|
CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc(F)cc3)NC(=O)c3cccnc3)c2c1 |r|
COCC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CO[C@H](C)C(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
Cc1ccc(cc1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
Cc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
CCSc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
Nc1nc(CCc2ccc3[nH]ccc3c2)cc(=O)[nH]1
Cn1c(N)nc(cc1=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 |r|
Cn1c(N)nc(cc1=O)[C@@H]1C[C@@H]1c1cccc(c1)-c1ccccc1 |r|
COCc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
COc1cccc(c1)-c1cccc(c1)[C@H]1C[C@H]1c1cc(=O)n(C)c(N)n1 |r|
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1cccc(CC#N)c1 |r|
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(Br)c1 |r|
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(c1)-c1ccccc1 |r|
COc1cccc(c1)-c1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
Cc1ccccc1-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1ccccc1 |r|
Cn1c(N)nc(cc1=O)[C@@H]1C[C@@H]1c1ccccc1 |r|
Cn1c(N)nc(cc1=O)[C@@H]1C[C@H]1c1ccccc1 |r|
Cn1c(N)nc(cc1=O)[C@H]1C[C@@H]1c1ccccc1 |r|
Cn1c(N)nc(CCc2cccc(Br)c2)cc1=O
COc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
Cn1c(N)nc(CCc2ccc(cc2)-c2ccccc2)cc1=O
CCOc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
COc1cc(ccn1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
COc1cncc(n1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccccc3
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1cccc(OCC2CC2)c1 |r|
CCc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
CCCOc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
CC(C)Oc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
CCSc1cccc(c1)-c1ccc(CCc2cc(=O)n(C)c(N)n2)cc1
CCCc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
COc1cccc(n1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1cccc(c1)C(N)=O |r|
CSc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
Cc1csc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
CC(=O)Nc1cccc(c1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
Cc1ccc(s1)-c1ccc(cc1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCO)c1 |r|
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1ccco1 |r|
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1ccsc1 |r|
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1ccc(cc1)-c1cccs1 |r|
C[C@H](C(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC
CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)[C@@H]3CCCO3)c2c1 |r|
CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3cccnc3)c2c1 |r|
CC(C)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COc1ccc(C[C@H](NC(C)=O)[C@H](O)CN[C@H]2CC3(CCC3)Oc3ncc(CC(C)(C)C)cc23)cc1OC |r|
CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3ccc(F)nc3)c2c1 |r|
C[C@@H](F)C(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1ccc2OCCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1ccc(OC(F)F)c(OC(F)F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3ccccc3F)c2c1 |r|
COCC(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1ccc2OCOc2c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccc4OCOc4c3)NC(=O)c3cccnc3F)c2c1 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)C#CC)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1ccc(cc1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1nc(C)cs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1ccc(cc1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
C[C@@H](O)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(c3)-c3nccs3)NC(=O)[C@@H]3CCCO3)c2c1 |r|
COCC(=O)N[C@@H](Cc1cccc(-c2nccs2)c1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1ccc(F)c(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(C#C)c1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1ccc(F)c(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cc(F)cc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cc(ccc1F)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CCC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cc(ccc1F)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1ccncc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cc(F)cc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1ccccn1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CC(C)(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(c3)-c3nccs3)NC(=O)[C@H]3CCCO3)c2c1 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1ncco1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COC(OC)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CCO[C@H](C)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CO[C@@H](C)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1cncs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CO[C@H](C)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1cscn1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
CCOCC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1nccn1C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
COCC(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r|
c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(cc4)C#N)C(=O)N2
c1ccc(cc1)COC(=O)[C@H]2C[C@@]3(CN2)c4ccccc4NC3=O
c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(c(c4)Br)C#N)C(=O)N2
Brc1ccc(COC(=O)[C@H]2C[C@]3(CN2)C(=O)Nc2ccccc32)cc1 |r|
Brc1ccc2c(c1)C(CCS2(=O)=O)OC(=O)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc21 |r|
Brc1ccc2SCCC(OC(=O)[C@H]3C[C@]4(CN3)C(=O)Nc3ccccc43)c2c1 |r|
c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4(CCCCC4)C#N)C(=O)N2
COC(=O)[C@H]1C[C@@]2(CN1)c3ccccc3NC2=O
c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4CCOCC4)C(=O)N2
c1ccc2c(c1)[C@]3(CCNC3)C(=O)N2
COC(=O)N1CCC(CC1)OC(=O)[C@H]1C[C@]2(CN1)C(=O)Nc1ccccc21 |r|
NC1=N[C@](c2cccc(F)c12)(c1ccncc1)c1cccc(c1)-c1cncnc1 |r,t:1|
NC1=NC(c2ccccc12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)(F)F |t:1|
NC1=NC(c2ccccc12)(c1ccncc1)c1cccc(c1)-c1cncnc1 |t:1|
NC1=NC(c2cccc(F)c12)(c1ccncc1)c1cccc(c1)-c1cncc(F)c1 |t:1|
NC1=N[C@](c2cccc(F)c12)(c1ccnc(c1)C(F)(F)F)c1ccc(F)c(c1)-c1cncnc1 |r,t:1|
NC1=NC(c2cccc(F)c12)(c1cccc(c1)-c1cncc(c1)C#N)c1ccnc(c1)C(F)(F)F |t:1|
NC1=NC(c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)(F)F |t:1|
Cc1cc(cc(C)n1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:10|
CCn1cc(cc(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:12|
CCn1cc(cc(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(F)c1 |t:12|
NC1=N[C@@](c2cccc(F)c12)(c1ccnc(c1)C(F)(F)F)c1ccc(F)c(c1)-c1cncnc1 |r,t:1|
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |r,t:12|
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)C#CC1CC1 |r,t:12|
CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cc(F)cc2F)c1cccc(c1)-c1cncc(c1)C#CC |r,t:12|
NC1=N[C@@](c2cccc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F |r,t:1|
NC1=N[C@@](c2cc(F)cc(F)c12)(c1cccc(c1)-c1cncnc1)c1ccnc(c1)C(F)F |r,t:1|
CC#Cc1cncc(c1)-c1cccc(c1)C1(N=C(N)c2c1cccc2F)c1ccnc(c1)C(F)F |t:18|
COc1ccc(cc1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:10|
COc1c(C)cc(nc1C)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:12|
COc1c(C)cc(cc1C#N)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:13|
Cc1cc(cn(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:11|
NC1=NC(c2cccc(F)c12)(c1ccnc(c1)C1CC1)c1cccc(c1)-c1cncnc1 |t:1|
COc1cc(ccn1)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:10|
NC1=N[C@](CO1)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F |r,t:1|
COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1ccc(F)nc1 |c:13|
COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cccnc1F |c:13|
COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cccnc1 |c:13|
COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cncnc1 |c:13|
COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cc(Cl)ccc1F |c:13|
COc1ccc(cc1)C1(COC(N)=N1)c1cccc(c1)-c1cccc(Cl)c1 |c:13|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(C)c1 |c:18|
CC(C)Cc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1 |r|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccccc1C |c:18|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccccc1 |c:18|
CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncccc12 |r|
CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(Cl)cc12 |r|
CCc1cnc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3ccccc3)NC(C)=O)c2c1 |r|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccc(C)cc1 |c:18|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccccc1Cl |c:18|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(Cl)c1 |c:18|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccc(Cl)cc1 |c:18|
COc1ccc(F)c(c1)-c1ccc2Oc3ccc(OC)cc3C3(COC(N)=N3)c2c1 |c:28|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccc(OC(F)(F)F)cc1 |c:18|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(OC)c1F |c:18|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cc(Cl)ccc1F |c:18|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccc(Cl)cc1F |c:18|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(Cl)c1F |c:18|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccc(OC(F)(F)F)c1 |c:18|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cc(Cl)c(C)cc1F |c:18|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cccnc1F |c:18|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccnc(Cl)c1 |c:18|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1ccncc1 |c:18|
CC(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:21|
CCCOc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:20|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cnccc1F |c:18|
COc1ccc2Oc3ccc(cc3[C@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:18|
COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:18|
COc1ccc2Oc3ccc(cc3C3(COC(N)=N3)c2c1)-c1cncnc1 |c:18|
CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)Cc1ccccc1 |r|
CC(C)CNC[C@@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@H](C)O |r|
CO[C@@H](C)[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C |r|
CC(C)CN(C)C(=O)[C@@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@H](C)O |r|
CCC[C@H](O)[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCn3cc(CC)c(c1)c23)C(=O)NCC(C)C |r|
C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)CN[C@@H]([C@@H](C)O)C(=O)NCC(C)C
CCC[C@H](O)[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)C(C)(C)Cn3cc(CC)c(c1)c23)C(=O)NCC(C)C |r|
CCC[C@H](O)[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)C3(CC3)Cn3cc(CC)c(c1)c23)C(=O)NC(C)C |r|
CC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C |r|
CC(C)CNC(=O)[C@@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@H](C)O |r|
CCc1cn2CC3(CC3)S(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)Cc1ccccc1 |r|
CC(C)Oc1cccc(CN2CC[C@]3(CN(C(C)C)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r|
CC(C)Oc1cccc(CN2CC[C@]3(CN(c4ccncc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r|
CC(C)Oc1cccc(CN2CC[C@]3(CN(c4cccnc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r|
CC(C)Oc1cccc(CN2CC[C@]3(CN(c4ncccn4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r|
CC(C)Oc1cccc(CN2CC[C@]3(CN(c4nccs4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r|
C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc2[nH]ccc2c1 |r|
CC(C)Oc1cccc(CN2CC[C@]3(CN(c4ncco4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r|
CCc1n[nH]c2ccc(CN3CC[C@]4(CN(C)S(=O)(=O)N4c4cccc(F)c4)C[C@@H]3C)cc12 |r|
C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(NC(C)=O)cc1 |r|
C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(O)cc1 |r|
C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccccc1 |r|
COc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r|
CCOc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r|
CC(C)Oc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r|
C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(O)c(Cl)c1 |r|
CC(C)COc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r|
C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1cccc(OC2CCCC2)c1 |r|
CCOc1cc(CN2CC[C@]3(CN(C)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)ccc1O |r|
C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1cccc(c1)-c1ccccc1Cl |r|
C[C@H]1C[C@]2(CCN1Cc3ccc(c(c3)OC(C)C)O)CN(S(=O)(=O)N2c4cccc(c4)F)C
C[C@H]1C[C@]2(CCN1Cc3cccc(c3)OC(C)C)CN(S(=O)(=O)N2c4cccc(c4)F)C
CCN1C[C@]2(CCN(Cc3cccc(OC(C)C)c3)[C@@H](C)C2)N(c2cccc(F)c2)S1(=O)=O |r|
CCCOc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 |r|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)C(=O)c1cccc(F)c1)c1cc(cs1)-c1ccc(F)c(c1)C#N |r,c:3|
CC#Cc1cncc(c1)-c1csc(c1)[C@]12CN(C[C@H]1C(=O)N(C)C(N)=N2)C(=O)c1cccc(F)c1 |r,c:27|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)C(=O)c1ccccc1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
COc1cccnc1N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N |r,c:17|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cc1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(c1)C(O)=O |r|
COc1cccc(n1)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N |r,c:17|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(C)cn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncccc1C#N)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccccn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(Cl)cn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncc(F)cn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
CC(C)Oc1cccc(c1)N1C[C@H]2C(=O)N(C)C(N)=N[C@]2(C1)c1cc(cs1)-c1cccc(c1)C#N |r,c:19|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ncccn1)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
CC#Cc1cncc(c1)-c1csc(c1)[C@]12CN(C[C@H]1C(=O)N(C)C(N)=N2)c1cccc(OC(C)C)c1 |r,c:27|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccccc1)c1ccc(s1)-c1ccc(F)c(c1)C#N |r,c:3|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1cccc(n1)C(F)(F)F)c1cc(cs1)-c1cccc(c1)C#N |r,c:3|
CN1C(N)=N[C@]2(CN(C[C@H]2C1=O)c1ccc(F)cc1)c1ccc(s1)-c1ccc(F)c(c1)C#N |r,c:3|
CC1=NC(N=C1N)(C1CCCCC1)c1cccc(c1)-c1cccnc1 |c:4,t:1|
COc1c(C)cc(cc1C)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncc(c1)C#CC |c:16,t:12|
CC1=NC(N=C1N)(C1CC1)c1cccc(c1)-c1cncc(Cl)c1 |c:4,t:1|
Cc1cc(cc(c1OC)C)[C@]2(N=C(C(=N2)N)C)c3cccc(c3)c4cncnc4
CC1=N[C@](Cc2ccccc2)(N=C1N)c1cccc(c1)-c1cncnc1 |r,c:12,t:1|
COc1c(C)cc(cc1C)[C@@]1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 |r,c:16,t:12|
COc1cccc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)C1CCOCC1 |c:21,t:17|
CC(C)C1=NC(C)(N=C1N)c1cccc(c1)-c1cccnc1 |c:7,t:3|
CC#Cc1ccnc(c1)-c1cc(ccc1O)C1(N=C(C)C(N)=N1)C1CC1 |c:23,t:19|
CC#Cc1cc(cnc1)c2cccc(c2)[C@@]3(N=C(C(=N3)N)C)C4CC4
COc1cccc(c1)-c1cccc(c1)C1(C)N=C(C)C(N)=N1 |c:22,t:18|
CC#Cc1cncc(c1)-c1cc(ccc1O)C1(N=C(C)C(N)=N1)C1CC1 |c:23,t:19|
COc1cccc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)C1CCN(CC1)C(C)=O |c:21,t:17|
COc1cccc(c1)-c1cccc(c1)C1(N=C(C)C(N)=N1)c1ccncc1 |c:21,t:17|
CC1=NC(C)(N=C1N)c1cccc(c1)-c1cccnc1 |c:5,t:1|
CC1=NC(N=C1N)(c1ccccc1)c1cccc(c1)-c1cccnc1 |c:4,t:1|
COc1ccc(cc1)C1(N=C(N)C(=N1)C(C)C)c1cccc(c1)-c1cncnc1 |c:13,t:10|
CC(C)C1=NC(N=C1N)(c1ccccc1)c1cccc(c1)-c1cncnc1 |c:6,t:3|
CC1=NC(N=C1N)(c1ccc(F)cc1)c1cccc(c1)-c1cccnc1 |c:4,t:1|
COc1ccc(cc1C)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 |c:15,t:11|
COc1ccc(cc1)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cccnc1 |c:14,t:10|
COc1ccc(cc1)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1 |c:14,t:10|
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(N)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1c(C(=O)NC(N)=NCc2cc(Cl)cc(Cl)c2)c(C)nn1C |w:15.16|
COc1ccc(cc1)-c1n[nH]c(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CNCc2ccccc2)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cccc2ccccc12 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1 |w:19.21|
Cc1onc(c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1)-c1ccc(F)cc1 |w:11.12|
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(C)=O)c(Cl)c1 |w:19.21|
Cc1onc(c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1)-c1ccccc1 |w:11.12|
Cc1onc(c1C(=O)NC(N)=NCc1ccccc1)-c1ccccc1 |w:11.12|
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)c2ccccc2)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1onc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1 |w:19.21|
Cc1onc(c1C(=O)NC(N)=NCc1ccccc1)-c1ccc(F)cc1 |w:11.12|
CCC(=O)Nc1c(C)cc(CN=C(N)NC(=O)c2c(C)onc2-c2ccc(OC)cc2)cc1Cl |w:11.10|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CCSC)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(Br)c1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CSC)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1ccc2ccccc2c1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CS(C)(=O)=O)c(Cl)c1 |w:19.21|
Cc1onc(c1C(=O)NC(N)=NCc1cccc2ccccc12)-c1ccc(F)cc1 |w:11.12|
CCNCC(=O)Nc1c(C)cc(CN=C(N)NC(=O)c2c(C)snc2-c2ccc(OC)cc2)cc1Cl |w:13.12|
Cc1onc(c1C(=O)NC(N)=NCc1cccc2ccccc12)-c1ccccc1 |w:11.12|
CCNCC(=O)Nc1c(Cl)cc(CN=C(N)NC(=O)c2c(C)snc2-c2ccc(OC)cc2)cc1Cl |w:13.12|
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CN2CCC2)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CN2CCC2)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cccc2ccccc12 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)C2CC2)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(c1)-c1cccnc1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)C2CC2)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(c1)-c1ccsc1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CN(C)C)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(\C=C\CCO)c1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)c2ccco2)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)cc(C=C)c1 |w:19.21|
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CN(C)C)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CN(C)C)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NC(=O)CNCc2ccccc2)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(C)cc(C)c1 |w:19.21|
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(C)c(NC(=O)CN(C)C)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(N)c(Cl)c1 |w:19.21|
COC\C=C\c1cc(Cl)cc(CN=C(N)NC(=O)c2c(C)onc2-c2ccc(OC)cc2)c1 |w:12.11|
CCC\C=C\c1cc(Cl)cc(CN=C(N)NC(=O)c2c(C)onc2-c2ccc(OC)cc2)c1 |w:12.11|
CCCOc1c(Cl)cc(CN=C(N)NC(=O)c2c(C)onc2-c2ccc(OC)cc2)cc1Cl |w:10.9|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(O)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(N)=NCc1cc(Cl)c(NS(C)(=O)=O)c(Cl)c1 |w:19.21|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1ccccc1 |w:19.21|
Cc1onc(c1C(=O)NC(N)=NCc1ccc(Cl)c(Cl)c1)-c1ccc(F)cc1 |w:11.12|
COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1ccc(Cl)c(Cl)c1 |w:19.21|
Cc1onc(c1C(=O)NC(N)=NCc1ccc(Cl)c(Cl)c1)-c1ccccc1 |w:11.12|
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(O)=O |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@H](C)c1ccccc1 |r|
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NC(C)C |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](N)C(C)C |r|
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
COC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(C)=O |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(C)=O |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(C)=O |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C |r|
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CCCN(c1cc(COC(=O)[C@](C)(N)Cc2ccccc2)cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O |r|
NC1=NC(C2CCCCC2)(C(=O)N1CCCO)c1ccccc1 |t:1|
COc1ccc(cc1)C1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cncnc1 |t:10|
COc1cccc(-c2cccc(c2)[C@@]2(N=C(N)N3CC(F)(F)CN=C23)c2ccncc2)c1F |r,t:15,24|
NC1=NC(C2=NCC(F)(F)CN12)(c1ccncc1)c1cccc(c1)-c1cncnc1 |t:1,4|
COc1ccc(F)c(c1)-c1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccncc1 |t:18,27|
NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4|
COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 |t:17,26|
NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cncnc1 |t:1,4|
COc1ccc(cc1)C1(N=C(N)N2CC(F)(F)CN=C12)c1cccc(c1)-c1cncnc1 |t:10,19|
COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cc(Cl)cc(Cl)c1 |t:10,17|
NC1=NC(C2=NCCCN12)(c1ccncc1)c1cccc(c1)-c1cncnc1 |t:1,4|
COc1ccc(cc1C)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(F)c(c1)-c1cccnc1 |t:11,20|
COCCC#Cc1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 |t:14,23|
COCC#Cc1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 |t:13,22|
NC1=N[C@](C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(OCCCF)c1 |r,t:1,4|
NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(OCCCF)c1 |t:1,4|
COc1ccc(cc1)C1(N=C(N)N2CC(F)(F)CN=C12)c1cccc(Br)c1 |t:10,19|
OCC(NCc1ccccc1)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 |r|
OCC(NCc1ccccc1)c1ccc2c(NC(=O)[C@H](N=C2c2ccccc2)c2ccccc2)c1 |r,c:21|
OC(CN1CCNCC1)[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O |r,t:11|
OC(CNCc1ccccc1)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 |r|
CC(C)(C)OC(=O)N1CCN(CC1)c1cccc2c1NC(=O)[C@@H](N=C2c1ccccc1)c1ccccc1 |r,c:25|
OCC(NCc1ccccc1)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 |r|
CC(C)(C)OC(=O)N1CCN(CC(O)c2ccc(C(=O)c3ccccc3)c(NC(=O)[C@H](NC(=O)OCc3ccccc3)c3ccccc3)c2)CC1 |r|
OCC(NCc1ccccc1)c1ccc2c(NC(=O)[C@@H](N=C2c2ccccc2)c2ccccc2)c1 |r,c:21|
OC(CNCc1ccccc1)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 |r|
CC(C)(C)OC(=O)N1CCN(CC1)c1cccc2c1NC(=O)[C@H](N=C2c1ccccc1)c1ccccc1 |r,c:25|
CN1CC(=O)OB(OC(=O)C1)\C=C\c1ccccc1
Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3(c4ccccc4Oc5c3cccc5)CCCCOC
NCc1ccc(CNC(=O)Cc2ccc(cc2O)-c2ccccc2)cc1
NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2cccc(c2)C(F)(F)F)cc1
NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccc(O)cc2)cc1
C[C@@H](C(=O)NCc1ccc(CN)cc1)c1ccc(c(F)c1)-c1ccccc1 |r|
O=C(Cc1ccc(cc1)-c1ccccc1)NCc1ccc(CN2Cc3ccccc3C2)cc1
CCN(CC)Cc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1
CC(C)C(C(=O)NCc1ccc(CN)cc1)c1ccc(cc1)-c1ccccc1
NCc1ccc(CNC(=O)Cc2ccc(c(O)c2)-c2ccccc2)cc1
O=C(Cc1ccc(cc1)-c1ccccc1)NCc1ccc(CN2CCCC2)cc1
NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2c(F)c(F)c(F)c(F)c2F)cc1
CC[N+](CC)(CC)Cc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1
NCc1ccc(CNC(=O)C(Cc2ccccc2)c2ccc(cc2)-c2ccccc2)cc1
NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
NCc1ccc(CNC(=O)Cc2ccc(cc2)-c2ccccc2)cc1
CC(C)N(C[C@@H]1CNC[C@H]1Cc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC
NC1=NC2(CC2CCS1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |t:1|
NC1=NC2(CC2CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |t:1|
CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nccc(=O)[nH]2)=N1 |r,c:30|
CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nc3ccccc3c(=O)[nH]2)=N1 |r,c:35|
CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nc3ccncc3c(=O)[nH]2)=N1 |r,c:35|
Cc1ccc2C(N[C@@H](Cc3ccccc3)C(O)=O)=NC(C)(C)Cc2c1 |r,c:18|
CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc(Cl)c(=O)[nH]2)=N1 |r,c:31|
CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)C(O)=O)=N1 |r,c:25|
CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc(C#N)c(=O)[nH]2)=N1 |r,c:32|
CC1(C)Cc2ccccc2C(NC(Cc2ccccc2)c2nnn[nH]2)=N1 |c:27|
CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc3ccoc3n2)=N1 |r,c:33|
CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2nnco2)=N1 |c:28|
CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2ncc(I)c(=O)[nH]2)=N1 |r,c:31|
Cc1nnc(o1)C(Cc1ccccc1)NC1=NC(C)(C)Cc2cc(Cl)ccc12 |t:17|
CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2ncccn2)=N1 |c:29|
Cc1ccnc(n1)C(Cc1ccccc1)NC1=NC(C)(C)Cc2cc(Cl)ccc12 |t:18|
CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)ON4)Cl)C
CC1(C)Cc2ccccc2C(NC(Cc2ccccc2)C(O)=O)=N1 |c:24|
CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2n[nH]c(=O)[nH]2)=N1 |c:29|
Brc1ccc(N2CCN(CC2)C(=O)c2cccs2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Brc1ccc(N2CCN(Cc3cccc(c3)C#N)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
COc1ccc(CN2CCN(CC2)c2ccc(Br)cc2NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)cc1
[O-][N+](=O)c1cccc(c1)C(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1
OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1
Brc1ccc(N2CCN(CC2)C(=O)c2ccco2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Brc1ccc(N2CCN(CCCC#N)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Brc1ccc(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Brc1ccc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Brc1ccc(N2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=N
COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)c(=N)oc12
Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3oc2=N)c1
COc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1
COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)\c(=N\c3ccccc3)oc12
COc1ccccc1C(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1
Brc1ccc(N2CCNCC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Brc1ccc(N2CCN(CCc3cc4ccccc4[nH]3)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3o\c2=N/c2ccccc2)c1
Clc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2o\c1=N/c1ccccc1
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2ccccn2)C1=O |c:3|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccnc2)C1=O |c:3|
CN1C(N)=N[C@@]2(CC(C)(C)Oc3ccc(cc23)-c2cncc(Cl)c2)C1=O |r,c:3|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2ccncc2)C1=O |c:3|
CC#Cc1cncc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 |t:20|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cncc(c2)C(F)(F)F)C1=O |c:3|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccnc2F)C1=O |c:3|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(Cl)ccc2F)C1=O |c:3|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2ccccc2)C1=O |c:3|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(Br)cc23)C1=O |c:3|
CCOc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 |t:20|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(c2)C#N)C1=O |c:3|
CC(C)Oc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 |t:21|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(Cl)c2)C1=O |c:3|
COc1ccccc1-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 |t:19|
CSc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 |t:19|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(c2)C(F)(F)F)C1=O |c:3|
COc1cccc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 |t:19|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(Cl)cc(Cl)c2)C1=O |c:3|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(F)c2)C1=O |c:3|
COc1ccc(cc1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 |t:19|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(OC(F)F)c2)C1=O |c:3|
COc1ccc(F)c(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 |t:20|
CC(C)COc1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 |t:15|
COc1cc(F)cc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1 |t:20|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)C2CCCCC2)C1=O |c:3|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)N2CCCCC2)C1=O |c:3|
CN1C(N)=NC2(CC(C)(C)C(F)(F)c3ccc(cc23)-c2cncnc2)C1=O |c:3|
CN1C(N)=NC2(CC(C)(C)C(=O)c3ccc(cc23)-c2cncnc2)C1=O |c:3|
CC1(C)CC2(N=C(N)N(CC(F)(F)F)C2=O)c2cc(ccc2O1)-c1cccc(Cl)c1 |t:5|
CCN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(Cl)c2)C1=O |c:4|
CC(=O)N1CCC(CN2C(N)=NC3(CC(C)(C)Oc4ccc(cc34)-c3cccc(Cl)c3)C2=O)CC1 |c:10|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cncc(F)c2)C1=O |c:3|
COCCN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cccc(Cl)c2)C1=O |c:6|
CC1(C)Cc2ccc(cc2C2(CSC(N)=N2)C1)-c1cncc(Cl)c1 |c:15|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2ccns2)C1=O |c:3|
CC1(C)Cc2ccc(cc2C2(COC(N)=N2)C1)-c1cncc(Cl)c1 |c:15|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cncnc2)C1=O |c:3|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(cc23)-c2cc(F)cc(Cl)c2)C1=O |c:3|
CC1(C)Cc2ccc(cc2C2(CCSC(N)=N2)C1)-c1cncc(Cl)c1 |c:16|
CN1C(N)=NC2(CC(C)(C)Oc3ccc(NC(=O)c4ccc(C)o4)cc23)C1=O |c:3|
CC1(C)Cc2ccc(cc2[C@@]2(COC(N)=N2)C1)-c1cncnc1 |r,c:15|
CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccc(c2)C#N)C1=O |r,c:3|
CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccnc2F)C1=O |r,c:3|
CC1(C)Cc2ccc(cc2C2(COC(N)=N2)C1)-c1cncc(F)c1 |c:15|
CC1(C)Cc2ccc(cc2C2(COC(N)=N2)C1)-c1cccnc1F |c:15|
CN1C(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cncnc2)C1=O |r,c:3|
CN1C(N)=NC2(CC(C)(C)Cc3ccc(cc23)-c2cc(F)cc(Cl)c2)C1=O |c:3|
CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cc(F)cc(Cl)c2)C1=O |c:3|
CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cccc(c2)C#N)C1=O |c:3|
CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cncc(Cl)c2)C1=O |c:3|
CN1C(N)=NC2(CC(C)(C)Sc3ccc(cc23)-c2cncnc2)C1=O |c:3|
CN1C(N)=NC2(CC(C)(C)Cc3ccc(cc23)-c2cncc(Cl)c2)C1=O |c:3|
CN1C(N)=NC2(CC1=O)CC(C)(C)Cc1ccc(cc21)-c1cncc(Cl)c1 |c:3|
c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3([C@H](COC(=N3)N)F)CF)F
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:2|
Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:22|
C[C@]1([C@H]([C@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)C(F)F)cn2)ccc1F |r,t:2|
C[C@]1([C@H]([C@@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C(COC(=N3)N)(F)F)CF)F
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2nn(cc2Cl)C(F)F)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F |r,t:2|
Cn1cc(Cl)c(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:21|
Cn1ccc(n1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:20|
CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:25|
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F |r,t:2|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:22|
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ncc(Cl)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
C[C@]1(C[C@@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccccn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)SCC1(F)F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:22|
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(cn2)C#C)ccc1F |r,t:2|
Cc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F |r,t:21|
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(OC(F)(F)F)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1F |r,t:2|
CCOc1ccc(nc1)C(=O)Nc2ccc(c(c2)[C@@]3(C(COC(=N3)N)(F)F)C)F
COc1ccc(cc1)C1(C)CCSC(N)=N1 |c:15|
CC1(COC1)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:24|
CC(C)(O)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:22|
COC(C)(C)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:23|
CC(C)(C)C#Cc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:22|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)-c1ccc(cc1)C#N)-c1cccnc1F |r,t:1|
Cc1ccc(cc1)-c1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
CC1(C)OCCC(=C1)c1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:6,25|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1CCOCC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1=CCCOC1)-c1cccnc1F |r,t:1,23|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1ncc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,23|
COC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:23|
CC(C)(C)COc1ccc2Oc3ncc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:22|
CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1 |r,c:22|
CC(C)(C)COc1cnc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
Cn1cc(cn1)-c1cc(F)c2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)-c1ccccn1)-c1cccnc1F |r,t:1|
CC(C)(C)C#Cc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
CC(C)(C)CCc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
CC(C)(O)C#Cc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
COC(C)(C)C#Cc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:23|
NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)C1=CCOCC1 |r,t:1,30|
NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cncnc1)N1CCOCC1 |r,t:1|
CC1(C)CN(CCO1)c1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:25|
NC1=N[C@]2(CO1)c1cc(OCC3CCCCC3)ccc1Oc1ccc(cc21)-c1cncnc1 |r,t:1|
CC(C)(O)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
COC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:23|
CC(C)(F)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1 |r,c:22|
CC(C)(COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1)C#N |r,c:21|
CC1(COc2ccc3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cncnc2)COC1 |r,c:20|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccccn1 |r,c:22|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccncc1 |r,c:22|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1 |r,c:22|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1ccc(F)nc1 |r,c:22|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncc(c1)C#N |r,c:22|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncc(F)c1 |r,c:22|
COc1cncc(c1)-c1ccc2Oc3ccc(OCC(C)(C)C)cc3[C@]3(COC(N)=N3)c2c1 |r,c:31|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:22|
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1c(F)ccnc1F |r,c:22|
CC1(COc2ccc3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2)COC1 |r,c:20|
CC1(COc2cc3c(Oc4ccc(cc4[C@@]33COC(N)=N3)-c3cccnc3)cc2F)COC1 |r,c:21|
CC1(COc2cc(F)c3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2)COC1 |r,c:21|
CC1(COc2ccc3Oc4c(F)cc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2)COC1 |r,c:21|
CC1(COc2cc(F)c3Oc4ccc(cc4[C@@]4(COC(N)=N4)c3c2)-c2cccnc2F)COC1 |r,c:21|
CC(C)(F)COc1cc(F)c2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1F |r,c:23|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCCOC1)-c1cccnc1F |r,t:1,24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)cc(cc21)N1CC[C@H](F)C1)-c1cccnc1F |r,t:1|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21COC(N)=N1)-c1cc(F)cc(Cl)c1 |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21CSC(N)=N1)-c1cncc(Cl)c1 |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21COC(N)=N1)-c1cncc(Cl)c1 |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21CSC(N)=N1)-c1cccnc1F |r,c:22|
[H][C@@]12CCCO[C@@]1([H])[C@]1(CSC(N)=N1)c1cc(ccc1O2)-c1cccnc1F |r,c:13|
[H][C@@]12OCCC[C@@]1(C)Oc1ccc(cc1[C@@]21COC(N)=N1)-c1cccnc1F |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21COC(N)=N1)-c1cccnc1F |r,c:22|
[H][C@@]12CCCO[C@@]1([H])[C@]1(COC(N)=N1)c1cc(ccc1O2)-c1cccnc1F |r,c:13|
[H][C@@]12OCCC[C@@]1(C)Oc1ccc(cc1[C@]21N=C(N)N(C)C1=O)-c1cccnc1F |r,t:19|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@]21N=C(N)N(C)C1=O)-c1cccnc1F |r,t:19|
[H][C@@]12CCCO[C@@]1([H])[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1O2)-c1cccnc1F |r,t:10|
[H][C@]12CCCO[C@]1([H])[C@@]1(N=C(N)N(C)C1=O)c1cc(ccc1O2)-c1cccnc1F |r,t:10|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21CSC(N)=N1)-c1cc(F)cc(Cl)c1 |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21COC(N)=N1)-c1cccc(c1)C#N |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21CSC(N)=N1)-c1cccc(c1)C#N |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21COC(N)=N1)-c1cncnc1 |r,c:22|
[H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21CSC(N)=N1)-c1cncnc1 |r,c:22|
CN1C(N)=N[C@@]2([C@H]3COCC[C@@H]3Oc3ccc(cc23)-c2cccnc2F)C1=O |r,c:3|
[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)c4ccncc4
CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC2CCCCC2)C1=O |r|
CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)c2ccccc2)C1=O |r|
CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NCC2CC2)C1=O |r|
[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC4CCCC4
[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCN(C3)C(=O)CC4CCCC4
[H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCN(C1)C(=O)CC1CCCC1 |r|
[H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCN(C1)C(=O)CCCC |r|
[H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCN(C1)C(=O)CCCC |r|
[H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)CC1CCCC1 |r|
CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc3ccccc3n2)C1=O |r|
[H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)CCCC |r|
[H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)S(=O)(=O)CCCC |r|
CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2cnc3ccccc3n2)C1=O |r|
CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc(cc2)C#N)C1=O |r|
CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)NC2CCCCC2)C1=O |r|
COc1ccccc1NC(=O)N[C@@H]1CCC[C@H](C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)C1 |r|
COc1ccc(NC(=O)N[C@@H]2CCC[C@H](C[C@@]3(CCC4CCCCC4)NC(=N)N(C)C3=O)C2)cc1 |r|
CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccccc2Cl)C1=O |r|
CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc(Cl)cc2)C1=O |r|
CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Cc2ccccc2)C1=O |r|
[H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)Nc4ccccc4
[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CN3C[C@@H](NC3=O)CCC)(CCC4CCCCC4)CC5CCCCC5
[H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCNC1 |r|
[H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCNC1 |r|
[H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)CCCC |r|
[H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)NCCC |r|
[H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)CC1CCCC1 |r|
[H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(CCCCC)C1 |r|
[H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)OC(C)(C)C |r|
[H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)OC(C)(C)C |r|
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O |r|
CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cn1nc(C)cc1C)C(C)C |r|
CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)Cn1nc(C)cc1C)C(C)C |r|
CC[C@@H](Cn1nc(C)cc1C)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r|
CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](Cn1nc(C)cc1C)C(C)C)C(C)C |r|
CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](CC(C)C)Cn1nc(C)cc1C)C(C)C |r|
CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cn1ccc(C)n1)C(C)C |r|
CSC[C@H](NC(=O)[C@@H](C)Cn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r|
CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)[C@@H](C)Cn1nc(C)cc1C)C(C)C |r|
CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cc1csc(C)n1)C(C)C |r|
CC[C@@H](Cc1csc(C)n1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r|
CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cc1nc(C)cs1)C(C)C |r|
CC[C@@H](Cc1nc(C)cs1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r|
CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc1nc(C)cs1)C(C)C)C(C)C |r|
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3
O=C(NCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O
O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O
Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12
COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,23|
CC1(C)OCCC(=C1)c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1 |r,c:6,26|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1=CCCOC1)-c1cccnc1F |r,t:1,23|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1CCOCC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)C1CCCOC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)[C@@H]1CCCCO1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)[C@H]1CCCCO1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
CC1(C)CN(CCO1)c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1 |r,c:26|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CCC(F)(F)C1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CC[C@H](F)C1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)N1CC[C@@H](F)C1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccccc1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccccn1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1cccnc1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1cnc(cc21)-c1ccncc1)-c1cccnc1F |r,t:1|
Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1 |r,c:25|
c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)c6ccnc(c6)F
NC1=N[C@]2(CO1)c1cc(ccc1Oc1ccc(cc21)-c1cccnc1F)C1=CCOCC1 |r,t:1,31|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CC[C@@H](F)C1)-c1cccnc1F |r,t:1|
Cc1cc(on1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 |r,c:24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccncc1)-c1cccnc1F |r,t:1|
Cc1ccc(cn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 |r,c:25|
Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)c(F)n1 |r,c:25|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1F)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccc(F)nc1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccnc(F)c1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=COCCC1)-c1cccnc1F |r,t:1,24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCCO1)-c1cccnc1F |r,t:1,24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1ncccc1F |r,t:1,24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCOCC1)-c1cccnc1F |r,t:1,24|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCCOC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1CCOCC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCOCC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)C1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1ccccc1)-c1cccnc1F |r,t:1|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)-c1cccnc1)-c1cccnc1F |r,t:1|
C[C@]1(CC(=O)N(Cc2cccc(c2)C(=O)NCc2ccccc2)C(=N)N1)c1ccc2sccc2c1 |r|
[H]/N=C\1/N[C@](CC(=O)N1Cc2cccc(c2)C(=O)NCc3ccccc3)(C)C(C)C
CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(c2)C(=O)N[C@@H](C)c2ccccc2)C(=N)N1 |r|
CC(C)N(C[C@@H]1CNC[C@H]1OC(=O)NCc2ccccc2)C(=O)c3ccc(c(c3)OCCCOC)OC
COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NCc1ccc2ccccc2c1)C(C)C |r|
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N1CCCC1=O)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N1CCCC1=O)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r|
CCCN(CCC)C(=O)c1cccc(n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(O)=O |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(O)=O |r|
CCCN(CCC)C(=O)c1cccc(n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r|
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r|
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r|
COC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
COC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
COC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)OCc1ccccc1 |r|
COC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
COC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
COC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)OCc1ccccc1 |r|
COC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
COC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)OCc1ccccc1 |r|
COC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
[H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)C(F)F)c1ccc(F)cc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](CC(C)C)C2)c1ccc(F)cc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)C1CC1)c1ccc(F)cc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](CC)C2)c1ccc(F)cc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](COC)C2)c1ccc(F)cc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccc(F)cc1F |r,c:5|
COC[C@@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F |r,c:7|
COC[C@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F |r,c:7|
C[C@]1(CCSC(=N1)N)c2ccc(cc2F)F
[H][C@@]12COC[C@@]1(N=C(N)SC2)c1ccc(F)cc1F |r,t:7|
[H][C@@]12C[C@@H](OC[C@@]1(N=C(N)S[C@@H]2CF)c1ccc(F)cc1F)c1nc(C)co1 |r,t:8|
[H][C@@]12C[C@H](COC)OC[C@@]1(N=C(N)S[C@@H]2C)c1ccc(F)cc1F |r,t:11|
c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)c4c[nH]nc4
[H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1cc(C)no1)c1ccc(F)cc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1nc(C)co1)c1ccc(F)cc1F |r,c:5|
Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cccc(c1)-c1cncnc1 |r,t:11|
Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1 |r,t:11|
Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cc(cs1)-c1cccc(c1)C#N |r,t:11|
CC#Cc1cncc(c1)-c1csc(c1)[C@@H]1C[C@H](SC(N)=N1)c1c(C)noc1C |r,c:21|
Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,t:11|
Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1 |r,t:12|
CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)C[C@H](SC(N)=N1)c1c(C)noc1C |r,c:23|
Cc1noc(CC(C)(C)O)c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F |r,t:16|
Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(c(F)cc1F)-c1cccnc1C#N |r,t:12|
Cl.NC1=NC2CCC(CC2CS1)NC(=O)c1ccccc1 |t:1|
Cl.NC1=NC2CCC(CC2CS1)NC(=O)c1ccc(F)cn1 |t:1|
NC1=NC2CCCCC2CS1 |t:1|
OC(=O)C(F)(F)F.NC1=NC2CCC(CC2CS1)OC(=O)c1cccc(Cl)c1 |t:7|
Cl.NC1=NC23COCC2(CS1)CC(CC3)NC(=O)c1cccc(Cl)c1 |t:1|
Cl.[H][C@@]12COC[C@]3(CC[C@@H](C[C@]13[H])NC(=O)c1cccc(Cl)c1)N=C(N)S2 |r,t:25|
Cl.NC1=NC2CCC(CC2CS1)NC(=O)c1cccc(Cl)c1 |t:1|
[H][C@@]12CC=C3C[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](OC(=O)\C=C\c6ccc(O)cc6)[C@]5(C)C(O)=O)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@@H](O)[C@]2(C)CO |r,t:3|
[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)C(=O)CC[C@]34C)CC1=CC(=O)[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C |r,c:25|
[H][C@@]12C[C@H](O)[C@@]3(O)C[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](OC(=O)c6ccc(OC)c(O)c6)[C@]5(C)C(O)=O)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2(C)C |r|
[H][C@@]12CC[C@@]3(C)C[C@@]4(O)CC[C@@]5([H])C(C)(C)[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@H](OC(C)=O)C2(C)C)OC(C)=O |r|
[H][C@@]12CC=C3C[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](OC(=O)CCc6ccc(O)cc6)[C@]5(C)C(O)=O)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@@H](O)[C@]2(C)CO |r,t:3|
[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)[C@H](O)CC[C@]34C)CC1=CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C |r,c:25|
[H][C@@]12CC[C@@]3(C)CC4=CC(=O)[C@@]5([H])[C@@](C)(CO)[C@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@H](O)[C@]2(C)C(O)=O |r,t:7|
[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)[C@H](O)CC[C@]34C)CC1=CC[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C |r,c:25|
[H][C@@]12CC[C@@]3(C)CC4=CC(=O)[C@@]5([H])[C@@](C)(CO)[C@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@H](O)[C@]2(C)C(=O)OC |r,t:7|
[H][C@@]12C[C@H](O)[C@@]3(O)C[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](OC(=O)c6ccc(O)cc6)[C@]5(C)C(O)=O)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@@H](O)[C@]2(C)CO |r|
[H][C@@]12CC[C@@]3(C)C[C@@]4(O)CC[C@@]5([H])C(C)(C)[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C |r|
[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@]4([H])[C@]3(C)CC[C@@H](O)[C@]4(C)C(O)=O)CC1=CC(=O)[C@@]1([H])C(C)(C)[C@H](O)CC[C@]21C |r,c:27|
CCCC[C@@H](O)\C=C\C=C\C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](C)C(N)=O
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](O)CC(=O)NCCCC(N)=O
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)[C@@H](O)CC(=O)NC1CCCCC1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCN)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC1CCCCC1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC1CCCCC1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC1CCCCC1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC1CCCCC1 |r|
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NC1CCCCC1
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC1CCCCC1
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC1CCCCC1
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC1CCCCC1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NCc1ccccc1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NCCc1ccccc1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC1Cc2ccccc2C1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC(C)c1ccccc1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NCCc1ccc(Cl)cc1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)N(C)CCc1ccc(Cl)cc1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1)[C@@H](O)CC(=O)NCCc1ccccc1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COCc1ccccc1)[C@@H](O)CC(=O)NCCc1ccccc1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1ccccc1)[C@@H](O)CC(=O)NCCc1ccccc1
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1)[C@@H](O)CC(=O)NCCc1ccccc1
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1
[#6]-[#7](-[#6]-c1ccccc1)-[#6]-c1ccc(\[#6]=[#6]-2/[#6]-c3ccc(-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-4-[#6]-[#6]\[#6](-[#6]-[#6]-4)=[#6](\c4ccc(F)cc4)-c4ccc(F)cc4)cc3-[#6]-2=O)cc1
CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCCN4CCN(CC4)C(c4ccc(F)cc4)c4ccc(F)cc4)cc3C2=O)cc1
CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCCN4CCN(CC4)OC(=O)C(C)(C)C)cc3C2=O)cc1
CCOC(=O)C1(CCN(CCCCCOc2ccc3C\C(=C/c4ccc(CN(C)Cc5ccccc5)cc4)C(=O)c3c2)CC1)c1ccccc1
CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCCN4CCN(CC4)c4ccccc4)cc3C2=O)cc1
CN(Cc1ccccc1)Cc1ccc(\C=C2/Cc3ccc(OCCCCCN4CCC(CC4)c4ccccc4)cc3C2=O)cc1
CCC[C@H](N(C)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
CCC[C@H](NC[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
CCC[C@H](NC[C@@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
CCC[C@H](NC(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
CCC[C@H](NC(=O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
CCC[C@H](NC(=O)[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
CCC[C@H](NC(=O)[C@@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
CCC[C@H](N(C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
CCC[C@H](NC(C)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
CCC[C@H](NC[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
CCC[C@H](NC[C@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
CCC[C@H](NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
CCC[C@H](NC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
CCC[C@H](NC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
CCC[C@H](NC(=O)[C@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1cccs1)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(O)=O |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@H]2CCCN2c2ccccc2)cc1Cl |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)OCc2ccccc2)cc1Cl
C[C@H](NC(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1)c1ccccc1 |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)N[C@H]2CCc3ccccc23)cc1Cl |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)N[C@H]2CCCc3ccccc23)cc1Cl |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(C)cc2)cc1Cl |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)cc1Cl |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(F)cc2)cc1Cl |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(cc2)C(F)(F)F)cc1Cl |r|
COc1ccc(cc1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 |r|
COc1cccc(c1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 |r|
CO[C@@H]1C[C@H](N(C1)c1ccccc1)C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1 |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2CCCCN2c2ccccc2)cc1Cl
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2C3CC3CN2c2ccccc2)cc1Cl
[H][C@@]12CCCN1c1ccc(OC\C=C\CNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:13,29|
[H][C@@]12CCCN1c1ccc(OC\C=C\CCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:13,30|
[H][C@@]12CCCN1c1ccc(OCCCCCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:30|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccccc2)cc1Cl |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)c2cccn2-c2ccccc2)cc1Cl
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)c2ccnn2-c2ccccc2)cc1Cl
[H][C@@]12CCCN1c1ccc(OCCCCCCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:31|
[H][C@@]12CCCN1c1ccc(OC\C=C\CCCNCC(=O)Nc3c(Cl)cc(CN\C(N)=N\C2=O)cc3Cl)cc1 |r,t:13,31|
COc1ccc(cc1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(=O)CN(C)C)c(Cl)c1 |r|
[H][C@]12CC[C@]([H])(C1)N(C2C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1)c1ccccc1 |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@H](CN2c2ccccc2)OCc2ccccc2)cc1Cl |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@@H](CN2c2ccccc2)OCc2ccccc2)cc1Cl |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@@H](CN2c2ccccc2)Oc2ccccc2)cc1Cl |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@@H](CN2c2ccccc2)c2ccccc2)cc1Cl |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@@H](O)CN2c2ccccc2)cc1Cl |r|
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2C[C@H](O)CN2c2ccccc2)cc1Cl |r|
COc1ccc(cc1)C1CCCN1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)COCC(N)=N1 |r,c:26|
C[C@]1(COCC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:6|
C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Cl
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1F |r,t:22|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@@H]1F |r,t:22|
C[C@@]1(N=C(N)CO[C@@]1(F)C(F)(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)CO[C@]1(F)C(F)(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)CO[C@@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F |r,t:2|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)CO[C@@H]1F)C1CC1 |r,t:21|
COc1cnc(cn1)C(=O)Nc1ccnc(c1)[C@@]1(C)N=C(N)CO[C@@H]1F |r,t:21|
COc1cnc(cn1)C(=O)Nc1cc(ccn1)[C@@]1(C)N=C(N)CO[C@@H]1F |r,t:21|
C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:2|
Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@@H]1F |r,t:22|
C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
COc1ccc(\C=C\C(=N\NC(N)=N)\c2ccc(Cl)cc2)cc1OC
Cc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)C(=O)OC(C)(C)C)nc2c1 |r|
COc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)C(=O)OC(C)(C)C)nc2c1 |r|
CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1 |r|
CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(Cl)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1 |r|
Cc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3cccc(c3)-c3ccc(F)cc3)C(=O)OC(C)(C)C)nc2c1 |r|
CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(Cl)ccc3[nH]2)[C@H](C1)OC(=O)c1cccc(Oc2ccccc2)c1 |r|
CC(C)c1ccc(cc1)C(=O)O[C@H]1CN(C[C@@H]1Nc1nc2cc(F)ccc2[nH]1)C(=O)OC(C)(C)C |r|
CN(C)c1ccc(cc1)C(=O)O[C@H]1CN(C[C@@H]1Nc1nc2cc(F)ccc2[nH]1)C(=O)OC(C)(C)C |r|
Cc1ccc2[nH]c(N[C@H]3CNC[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)nc2c1 |r|
CC(=O)N1C[C@H](Nc2nc3cc(C)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1 |r|
Cc1ccc2[nH]c(N[C@H]3CN(C[C@@H]3OC(=O)c3ccc(cc3)-c3ccccc3)C(=O)c3ccccc3)nc2c1 |r|
COC(=O)CN1C[C@H](Nc2nc3cc(C)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)-c1ccccc1 |r|
CCCS(=O)(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)C(C)C |r|
CC(C)c1ccc(cc1)C(=O)O[C@H]1CN(C[C@@H]1Nc1nc2cc(F)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r|
CCCS(=O)(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OC(=O)c1ccc(cc1)N(C)C |r|
CC(C)(C)OC(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OCc1ccc(cc1)-c1ccccc1 |r|
CC(C)c1ccc(CO[C@H]2CN(C[C@@H]2Nc2nc3cc(F)ccc3[nH]2)C(=O)OC(C)(C)C)cc1 |r|
CC(C)c1ccc(CO[C@H]2CNC[C@@H]2Nc2nc3cc(F)ccc3[nH]2)cc1 |r|
CCCS(=O)(=O)N1C[C@H](Nc2nc3cc(F)ccc3[nH]2)[C@H](C1)OCc1ccc(cc1)C(C)C |r|
CC(C)c1ccc(CO[C@H]2CN(C[C@@H]2Nc2nc3cc(F)ccc3[nH]2)S(=O)(=O)c2ccccc2)cc1 |r|
CC(C)c1ccc(CO[C@H]2CN(CCO)C[C@@H]2Nc2nc3cc(F)ccc3[nH]2)cc1 |r|
CC(C)c1ccc(CO[C@H]2CN(CC(N)=O)C[C@@H]2Nc2nc3cc(F)ccc3[nH]2)cc1 |r|
COc1ccc(cc1)N1CCN(CC1)[C@@H]1CN(CC[C@H]1OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 |r|
COc1cccc2cc(oc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
c1ccc2c(c1)cc(o2)CNCCCCCCCNc3c4ccccc4nc5c3CCCC5
COc1cccc2cc(CN(CCCCCCNc3c4CCCCc4nc4ccccc34)Cc3cc4cccc(OC)c4o3)oc12
C(CCCNc1c2CCCCc2nc2ccccc12)CCCN(Cc1cc2ccccc2o1)Cc1cc2ccccc2o1
NC1=NC(NC(=O)N1)c1ccc(F)cc1 |t:1|
Fc1cc(F)cc(COc2ccc(\C=C\C(=O)CC(=O)\C=C\c3ccc(OCc4cc(F)cc(F)c4)cc3)cc2)c1
Fc1ccc(COc2ccc(\C=C\C(=O)CC(=O)\C=C\c3ccc(OCc4ccc(F)cc4F)cc3)cc2)c(F)c1
O=C(CC(=O)\C=C\c1ccc(OCc2ccccc2)cc1)\C=C\c1ccc(OCc2ccccc2)cc1
COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)cc2)cc1 |w:6.5,14.14|
COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O
O\C(\C=C\c1ccc(OCc2cccc(F)c2)cc1)=C/C(=O)/C=C/c1ccc(OCc2cccc(F)c2)cc1
O\C(\C=C\c1ccc(OCc2ccc(F)cc2)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccc(F)cc2)cc1
O\C(\C=C\c1ccc(OCc2cc(F)cc(F)c2)cc1)=C/C(=O)/C=C/c1ccc(OCc2cc(F)cc(F)c2)cc1
O\C(\C=C\c1ccc(OCc2ccc(F)cc2F)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccc(F)cc2F)cc1
O\C(\C=C\c1ccc(OCc2ccccc2)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccccc2)cc1
O\C(\C=C\c1ccc(OCc2ccccc2)cc1)=C/C(=O)/C=C/c1ccc(O)cc1
COc1ccc(\C=C\C(=O)\C=C(/O)\C=C\c2ccc(OCc3ccccc3)cc2)cc1
COc1ccc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(OC)cc2)cc1
O\C(\C=C\c1ccc(O)cc1)=C/C(=O)/C=C/c1ccc(O)cc1
COc1cc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(C)cc2)ccc1O
COc1cc(\C=C\C(\O)=C\C(=O)\C=C\c2ccc(OCc3ccccc3)cc2)ccc1O
CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC(=O)Nc1ccc(C)cc1C
[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)NC)F)C)c4ccc(s4)C#N
[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)SC)F)C)c4ccc(s4)C#N
[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OCC)F)C)c4ccc(s4)C#N
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1ccc(Cl)s1)c1nc(CCC)c(F)c(OC)n1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1ccc(Cl)s1)c1nc(CC)c(F)c(OC)n1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1ccc(Cl)s1)c1nc(C)c(F)c(OC)n1 |r|
[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(s4)C#N
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1ccc(s1)C#N)c1ncc(F)c(OC)n1 |r|
[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(c(n3)OC)F)c4cc(cs4)c5cccc(c5)C#N
COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](SC(N)=N1)c1c(C)noc1C |r,c:27|
Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1F |r,t:12|
Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(F)cc(NC(=O)c2ccc(Cl)cn2)c1 |r,t:12|
Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F |r,t:12|
Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(Cl)cn2)c(F)cc1F |r,t:12|
Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:11|
Cc1oncc1[C@]1(C)C[C@H](N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1 |r,t:11|
Cc1noc(C)c1[C@]1(C)C[C@H](N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1 |r,t:12|
COc1ccc(cc1OC)[C@@H]1C[C@H](N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1 |r,t:14|
COc1ccc(cc1OC)[C@@H]1C[C@H](N=C(N)S1)c1cccc(c1)-c1cncnc1 |r,t:14|
CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1CCc1ccc(NC(=O)c2ccc(F)cc2)cn1
CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CCC1(CC1)NC(=O)c1ccc(F)cc1
CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CC1CC(C1)NC(=O)c1ccc(F)cc1 |(-8,-9.72,;-8,-8.48,;-9.07,-9.1,;-9.07,-7.87,;-6.67,-7.71,;-6.67,-6.17,;-5.34,-5.4,;-5.34,-3.86,;-6.41,-3.24,;-4.01,-3.08,;-4.01,-1.54,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-3.75,1.39,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.77,;5.34,2.31,;5.34,3.85,;6.43,4.89,;5.34,5.98,;4.25,4.89,;5.34,7.51,;4.01,8.28,;2.94,7.67,;4.01,9.82,;2.67,10.59,;2.68,12.13,;4.01,12.9,;4.01,14.13,;5.34,12.13,;5.34,10.59,)|
CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#Cc1ccc(NC(=O)c2ccc(F)cc2)cn1
Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NCCC(C)(C)C)cc2c1
c1cc(ccc1C(=O)Nc2ccc(nc2)Cl)F
NC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ccc(cc21)C1=CCCOC1 |t:1,34|
C[C@@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C(=O)NCCC(C)(C)C |r|
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)[C@@H](C)CC)C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
Oc1cccc2C\C(=C/C3CCN(Cc4ccccc4)CC3)C(=O)c12
Oc1ccc2C(=O)\C(Cc2c1)=C\C1CCN(Cc2ccccc2)CC1
COc1cc2c(cc1OC)C(=O)/C(=C/C3CCN(CC3)Cc4ccccc4)/C2
COc1ccc2c(c1)C/C(=C\C3CCN(CC3)Cc4ccccc4)/C2=O
O=C1\C(Cc2cc3OCOc3cc12)=C\C1CCN(Cc2ccccc2)CC1
COc1ccc2C(=O)\C(Cc2c1)=C\C1CCN(Cc2cccc(OC)c2)CC1
[H][C@@]12C[C@@]3(C(=O)O1)C(=C[C@H]2O)[C@H](Cl)C[C@@]1([H])C2=C(CC[C@]31[H])[C@](C)(CC)CC2 |r,c:8,18,TLB:5:4:2:9.8.7|
[H][C@@]12CCO[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:7|
[H][C@@]12CCO[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2ccccn2)ccc1F |r,t:7|
[H][C@@]12CCO[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:7|
[H][C@@]12CCO[C@@]1(N=C(N)SC2)c1cc(F)cc(NC(=O)c2ccc(Cl)cn2)c1 |r,t:7|
[H][C@@]12CCO[C@@]1(N=C(N)SC2)c1cc(F)cc(NC(=O)c2ccc(F)cn2)c1 |r,t:7|
c1cc(c(cc1NC(=O)c2ccc(cn2)Br)[C@@]34[C@@H](CCO3)CSC(=N4)N)F
[H][C@@]12CCO[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,t:7|
[H][C@@]12CCO[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:7|
[H][C@@]12CCO[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2ncccc2F)ccc1F |r,t:7|
[H][C@@]12CCO[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F |r,t:7|
[H][C@@]12CCO[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,t:7|
N[C@@H](Cc1c[nH]c2ccccc12)Cn1cc(nn1)-c1ccc(Cl)c(Cl)c1 |r|
Oc1ccc(\C=C\C(=O)NCc2cn(C[C@@H]3Cc4c(CN3)[nH]c3ccccc43)nn2)cc1O |r|
OC[C@@H]1Cc2c(CN1Cc1cn(C[C@@H]3Cc4c(CN3)[nH]c3ccccc43)nn1)[nH]c1ccccc21 |r|
Oc1cc(cc(O)c1O)C(=O)OC[C@@H]1O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1
Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccc(F)cc2n1
C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccccc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 |r|
COc1ccc2nc([nH]c2c1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
C[C@H](NC(=O)c1cc(cc(c1)-c1nc2ccc(F)cc2[nH]1)N(C)S(C)(=O)=O)c1ccccc1 |r|
C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1ccccc1)N(C)S(C)(=O)=O)c1ccccc1 |r|
COc1cccc(c1)-c1c[nH]c(n1)-c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1cccc(F)c1)N(C)S(C)(=O)=O)c1ccccc1 |r|
CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccccc2[nH]1
CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1
COc1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1nc2ccccn2c1NC(C)(C)C
CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1
CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccc(F)cc2[nH]1
COc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1nc2ccccn2c1NC(C)(C)C
[H][C@]12CCCN1C(=O)[C@@]([H])(NC2)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
[H][C@]1(NCCN(CCC)C1=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
[H][C@]1(NCCN(Cc2ccccc2OC)C1=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
CCc1cn2c3c1cc(cc3N(S(=O)(=O)C(C2)(C)C)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H]([C@H]5C(=O)N(CCN5)Cc6ccccc6)O
[H][C@]1(NC[C@@H](C)N(Cc2ccccc2)C1=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
[H][C@@]1(CN(Cc2ccccc2)[C@H](C)CN1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
[H][C@]1(NC[C@@H](Cc2ccccc2)N(Cc2ccccc2)C1=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
[H][C@]1(NC[C@@H](Cc2ccccc2)N(C)C1=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
[H][C@]1(NC[C@@H](Cc2ccccc2)N(C)C1=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)cc(c1)C(=O)N(CCC)CCC |r|
[H][C@@]12CCCN1C(=O)[C@@]([H])(NC2)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
[H][C@]1(NCCN(Cc2ccccc2)C1=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
[H][C@]12COC(=O)N1C(=O)[C@@]([H])(NC2)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
[H][C@]1(NC[C@H](C)N(Cc2ccccc2)C1=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
[H][C@]1(NC[C@H](Cc2ccccc2)N(Cc2ccccc2)C1=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O |r|
CCCCCC(=O)Oc1ccc2c(c1)occ(C1C(OC(=O)CC)=C(C)NC(C)=C1OC(=O)CC)c2=O |c:29,t:24|
Clc1ccc2Sc3ccccc3N(CCCN3CCC4(CC3)NC(=O)CS4)c2c1
OC1=C2Nc3ccccc3N=C2OC1c1c[nH]c2ccc(COc3ccccc3)cc12 |c:1,11|
O=C1NC2NC=CC2C(=O)N1 |c:5|
CC#Cc1cncc(c1)-c1ccc2OC[C@]3(N=C(N)C[C@@H]3C(F)(F)F)c2c1 |r,t:17|
CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:31|
CC1Cc2ccc(OC(=O)c3ccc(NC(N)=N)cc3)cc2OC1=O
[H][C@@]1(CCCN1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(=O)N(CCC)CCC
[H][C@]1(CCCN1)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(N[C@@H](C)CC)nc(c1)S(C)(=O)=O
CC[C@H](C)Nc1cc(cc(n1)S(=O)(=O)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H]([C@H]3CCCN3)O
[H][C@@]1(CC[C@H](CN1)OCC1CCCCC1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O
C[C@H]1[C@@H](OC[C@@H](N1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)C)O)OCC(C)(C)C
CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2CO[C@H](CN2)OCC3CCCCC3)O
CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1
CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2C[C@H](CN2)OCC3CCCCC3)O
COC[C@H]1CCCN1C(=O)c1cc(OC)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C1C[C@H](CN1)Oc1ccccc1 |r|
[H][C@@]1(CO[C@@H](OCC2CCCCC2)[C@H](C)N1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O
Fc1ccc2c(c[nH]c2c1)-c1ncc([nH]1)-c1cccc(NC(=O)c2cccnc2)c1
Fc1ccc(cc1)-c1cnc([nH]1)-c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2cc(OC(F)(F)F)ccc12
Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2cc(OC(F)(F)F)ccc12
Fc1ccc(cc1)-c1cnc([nH]1)-c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2cc(F)ccc12
O=C(Nc1ccncc1)c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2ccccc12
O=C(Nc1ccccc1)c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2ccccc12
Fc1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2cc(F)ccc12
Fc1ccc(NC(=O)c2cccc(c2)-c2cnc([nH]2)-c2c[nH]c3ccccc23)cc1
O=C(Nc1cccnc1)c1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2ccccc12
O=C(Nc1cccc(c1)-c1cnc([nH]1)-c1c[nH]c2ccccc12)c1cccnc1
CCNCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 |r,c:19|
C[C@]1(CCSC(N)=N1)c1cc(CNCC2CC2)c(F)cc1F |r,c:6|
COCCCNCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 |r,c:22|
CN(Cc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)CC(F)(F)F |r,c:18|
C[C@]1(CCSC(N)=N1)c1cc(CNCC(F)F)c(F)cc1F |r,c:6|
C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F
CC(C)(NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F |r,c:20|
C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C(F)F)c(F)cc1F |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(CNC2(CC2)C#N)c(F)cc1F |r,c:6|
CN(C)Cc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 |r,c:19|
C[C@]1(CCSC(N)=N1)c1cc(CNC23CC(C2)C3)c(F)cc1F |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(CNC2CC2)c(F)cc1F |r,c:6|
C[C@@H](NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1)C(F)(F)F |r,c:19|
C[C@]1(CCSC(N)=N1)c1cc(CNC2(COC2)C(F)(F)F)c(F)cc1F |r,c:6|
CC(C)NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 |r,c:20|
COCCNCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 |r,c:21|
C[C@@H]1C[C@@](N=C(S1)N)(C)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F
Cc1ccc(NCc2cc(c(F)cc2F)[C@]2(C)CCSC(N)=N2)nc1 |r,c:22|
C[C@]1(CCSC(N)=N1)c1cc(CNCC(F)(F)F)c(F)cc1F |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(CNCCC(F)(F)F)c(F)cc1F |r,c:6|
CO[C@@H]1CCN(Cc2cc(c(F)cc2F)[C@]2(C)CCSC(N)=N2)C1 |r,c:22|
COC[C@@H](C)NCc1cc(c(F)cc1F)[C@]1(C)CCSC(N)=N1 |r,c:22|
[H][C@@]12O[C@@H](C(=O)OC)[C@@]([H])(O1)C(=S)N(Cc1ccccc1)[C@H]2Cc1ccccc1 |r|
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cc(OC)cc(c1)C#N |r,wU:7.7,wD:15.16,18.24,c:5,(11.32,-9.82,;12.86,-9.82,;12.09,-8.49,;13.83,-8.62,;15.26,-9.17,;16.55,-8.33,;15.19,-10.71,;13.7,-11.11,;12.22,-11.6,;10.88,-10.83,;9.56,-11.6,;9.55,-13.15,;10.89,-13.92,;12.22,-13.15,;13.7,-13.63,;14.61,-12.37,;15.69,-11.28,;17.17,-11.68,;17.57,-13.17,;16.48,-14.25,;15,-13.85,;19.06,-13.57,;19.45,-15.06,;8.22,-10.83,;6.9,-11.6,;5.57,-10.84,;4.24,-11.62,;2.9,-10.85,;5.56,-9.29,;6.9,-8.52,;8.23,-9.29,;6.9,-6.98,;6.9,-5.44,)|
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cccnc1 |r,wU:7.7,wD:15.16,18.24,c:5,(10.97,-10.46,;12.51,-10.47,;11.74,-9.13,;13.48,-9.27,;14.92,-9.82,;16.2,-8.97,;14.84,-11.35,;13.36,-11.76,;11.87,-12.24,;10.54,-11.48,;9.21,-12.25,;9.2,-13.79,;10.54,-14.57,;11.87,-13.79,;13.35,-14.27,;14.26,-13.01,;15.34,-11.92,;16.82,-12.33,;17.22,-13.81,;16.13,-14.9,;14.65,-14.5,;18.71,-14.21,;19.1,-15.7,;7.87,-11.48,;6.55,-12.25,;5.22,-11.49,;5.21,-9.94,;6.55,-9.17,;7.88,-9.94,)|
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cncnc1 |r,wU:7.7,wD:15.16,18.24,c:5,(10.49,-8.53,;12.03,-8.54,;11.27,-7.2,;13,-7.34,;14.44,-7.89,;15.73,-7.04,;14.37,-9.42,;12.88,-9.83,;11.4,-10.31,;10.06,-9.55,;8.73,-10.32,;8.73,-11.87,;10.06,-12.64,;11.4,-11.87,;12.87,-12.34,;13.78,-11.08,;14.86,-9.99,;16.35,-10.4,;16.75,-11.88,;15.66,-12.97,;14.18,-12.57,;18.23,-12.29,;18.63,-13.77,;7.4,-9.55,;7.4,-8.01,;6.07,-7.24,;4.74,-8.01,;4.74,-9.56,;6.07,-10.32,)|
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@]11C[C@H](C)[C@@H](OC)[C@H](C)C1)-c1cncnc1 |r,c:5|
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@]11CC[C@@H](OC)[C@H](CC)C1)-c1cncnc1 |r,c:5|
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@H](OC)[C@@H](C)C1)-c1cncnc1 |r,c:5|
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@H](OC)[C@@H](CC)C1)-c1cncnc1 |r,c:5|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@]22COC(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wD:13.15,5.5,2.1,c:19,(20.51,-16.81,;20.12,-15.32,;18.63,-14.92,;18.23,-13.43,;16.74,-13.03,;15.66,-14.12,;14.75,-15.38,;13.28,-14.9,;11.95,-15.67,;10.61,-14.9,;10.61,-13.35,;11.94,-12.58,;13.28,-13.35,;14.76,-12.86,;13.92,-11.57,;14.88,-10.37,;16.32,-10.92,;17.61,-10.08,;16.25,-12.46,;9.28,-12.59,;7.96,-13.35,;6.62,-12.59,;5.29,-13.37,;6.62,-11.04,;7.95,-10.27,;9.29,-11.04,;7.95,-8.73,;7.95,-7.19,;16.06,-15.6,;17.54,-16,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22COC(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:19,(20.81,-14.71,;20.41,-13.22,;18.92,-12.82,;18.53,-11.33,;17.04,-10.93,;15.96,-12.02,;15.05,-13.28,;13.57,-12.8,;12.24,-13.57,;10.91,-12.8,;10.91,-11.25,;12.24,-10.48,;13.57,-11.25,;15.06,-10.76,;14.21,-9.47,;15.18,-8.27,;16.62,-8.82,;17.91,-7.98,;16.54,-10.36,;9.58,-10.48,;8.25,-11.25,;6.92,-10.49,;5.59,-11.27,;6.91,-8.94,;8.25,-8.17,;9.58,-8.94,;8.25,-6.63,;8.25,-5.09,;16.36,-13.5,;17.83,-13.9,)|
CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22COC(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:19,(19.34,-13.77,;18.94,-12.29,;17.45,-11.88,;17.06,-10.4,;15.57,-9.99,;14.49,-11.08,;13.58,-12.34,;12.1,-11.87,;10.77,-12.64,;9.44,-11.87,;9.44,-10.32,;10.77,-9.55,;12.1,-10.31,;13.59,-9.83,;12.74,-8.54,;13.71,-7.34,;15.15,-7.89,;16.44,-7.04,;15.07,-9.42,;8.11,-9.55,;6.78,-10.32,;5.45,-9.56,;4.12,-10.33,;2.78,-9.57,;5.44,-8.01,;6.78,-7.24,;8.11,-8.01,;6.78,-5.7,;6.78,-4.16,;14.89,-12.57,;16.36,-12.97,)|
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@@]11CC[C@@H](CC1)OC)-c1cncc(C)c1 |r,wU:7.7,wD:15.16,18.24,c:5,(9.68,-7.89,;11.22,-7.9,;10.45,-6.56,;12.18,-6.7,;13.62,-7.25,;14.91,-6.4,;13.55,-8.79,;12.06,-9.19,;10.58,-9.68,;9.24,-8.91,;7.91,-9.68,;7.91,-11.23,;9.25,-12,;10.58,-11.23,;12.06,-11.71,;12.97,-10.45,;14.05,-9.36,;15.53,-9.76,;15.93,-11.25,;14.84,-12.33,;13.36,-11.93,;17.42,-11.65,;17.81,-13.14,;6.58,-8.91,;5.26,-9.68,;3.93,-8.92,;3.92,-7.37,;5.25,-6.6,;5.26,-5.06,;6.59,-7.37,)|
[2H]C1([2H])OC(N)=N[C@]11c2cc(ccc2C[C@]11CC[C@@H](OC)[C@H](C)C1)-c1cncnc1 |r,c:5|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#8])cc(-[#6])c1-[#8])-[#6](-[#8])=O
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-c2c(-[#6])cc(-[#8])cc2-[#6]=[#6]1)-[#6](-[#8])=O |c:27|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6]-[#6](=O)-[#6]=[#6](-[#6])-[#6]-1=O)-[#6](-[#8])=O |t:19,23|
NC(=O)C(Sc1nc(-c2cccc(c2)C(F)(F)F)c(C#N)c(=O)[nH]1)c1nc(cs1)-c1ccccc1
COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(cs2)-c2cccc(Br)c2)[nH]c(=O)c1C#N
CCOc1cccc(c1)-c1nc(SCC(=O)Nc2nc(cs2)-c2cc(Cl)c(N)c(Cl)c2)[nH]c(=O)c1C#N
Nc1c(Cl)cc(cc1Cl)-c1csc(NC(=O)CSc2nc(-c3cccc(c3)C(F)(F)F)c(C#N)c(=O)[nH]2)n1
NC(=O)C(Sc1nc(-c2cccc(OC(F)(F)F)c2)c(C#N)c(=O)[nH]1)c1nc(cs1)-c1ccccc1
COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2cccc(c2)-c2cccnc2F)[nH]c(=O)c1C#N
CCOc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)[nH]c(=O)c1C#N
COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(cs2)-c2cc(Cl)c(N)c(Cl)c2)[nH]c(=O)c1C#N
COc1ccccc1-c1nc(SC(C(N)=O)c2nc(cs2)-c2cccc(c2)[N+]([O-])=O)[nH]c(=O)c1C#N
COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2cccc(c2)[N+]([O-])=O)[nH]c(=O)c1C#N
COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(c[nH]2)-c2ccccc2)[nH]c(=O)c1C#N
CCOc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(c[nH]2)-c2ccccc2)[nH]c(=O)c1C#N
COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(c[nH]2)-c2cc(Cl)c(N)c(Cl)c2)[nH]c(=O)c1C#N
COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2ccccc2)[nH]c(=O)c1C#N
COc1cccc(c1)-c1nc(SC(C(N)=O)c2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)[nH]c(=O)c1C#N
COc1ccccc1-c1nc(SC(C(N)=O)c2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)[nH]c(=O)c1C#N
[H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2nccc3cc(Br)cnc23)ccc1F |r|
[H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2ccnc3cc(OC)cnc23)ccc1F |r|
[H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2nccc3nc(OC)cnc23)ccc1F |r|
[H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2nccc3cc(OC)cnc23)ccc1F |r|
CC1(C)OC[C@@](N=C1N)(C(F)F)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F |r,c:6|
Cc1cc(cnc1C(=O)Nc1cc(F)c(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)C#N |r,c:25|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COC2(CC2)C(N)=N1)C(F)F)C#N |r,c:27|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)COC(CF)(CF)C(N)=N1)C#N |r,c:30|
NC1=N[C@](COC1)(C(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1 |r,t:1|
CO[C@@]1(C)OC[C@](C)(N=C1N)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,c:8|
NC1=NC(COC1)(C(F)F)c1c(F)ccc(NC(=O)c2ccc(Br)cn2)c1F |t:1|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)COC(CF)(CF)C(N)=N1)C#N |r,c:29|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COC2(CCOCC2)C(N)=N1)C(F)F)C#N |r,c:30|
CO[C@]1(C)OC[C@](C)(N=C1N)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,c:8|
[H][C@@]12CO[C@@]([H])(O1)[C@](C)(N=C2N)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,c:10|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COC(CF)(CF)C(N)=N1)C(F)F)C#N |r,c:28|
C[C@]1(CO[C@@](C)(C(N)=N1)C(F)(F)F)c1cccc(NC(=O)c2ccc(Br)cn2)c1 |r,c:7|
COC(=O)c1cc(C)nc2sc3cccc(OC)c3c12
COc1ccc2sc(N)cc2c1
COC(=O)c1cc(C)c2c(n1)sc1ccc(OC)cc21
Brc1ccc(NCc2cn(CCCN3C(=O)c4ccccc4C3=O)nn2)c(NC(=O)c2cc3ccccc3oc2=N)c1
Brc1ccc(NCc2cn(CCCCN3C(=O)c4ccccc4C3=O)nn2)c(NC(=O)c2cc3ccccc3oc2=N)c1
Clc1ccc(Cn2cc(CNc3ccc(Br)cc3NC(=O)c3cc4ccccc4oc3=N)nn2)cc1Cl
Brc1ccc(Cn2cc(CNc3ccc(Br)cc3NC(=O)c3cc4ccccc4oc3=N)nn2)cc1
Clc1cccc(Cn2cc(CNc3ccc(Br)cc3NC(=O)c3cc4ccccc4oc3=N)nn2)c1Cl
CC(=O)Nc1c(Cl)cc(C\N=C(/N)NC(=O)Cn2ccc3ccc(cc23)C#N)cc1Cl
Nc1nc(cc(n1)-c1ccc(Cl)cc1Cl)-c1cccc(OCc2ccccc2)c1
Cn1c(N\N=C\c2cccc(Cl)c2Cl)nc2ccccc2c1=O
[O-][N+](=O)c1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3nnc(-c4ccccc4)c(n3)-c3ccccc3)cc2)nn1
N(\N=C\c1cc2ccccc2[nH]1)c1nnc(-c2cccs2)c(n1)-c1cccs1
Fc1cc(NC(=N)Nc2cnc(F)c(F)c2)cnc1F
[#6]-[#8]-c1cnc(cn1)-[#6](=O)-[#7]-c1ccc(F)c(c1)[C@@]1([#6])[#7]=[#6](-[#7])-[#6]-[#8]\[#6]1=[#6](\F)F |r,t:22|
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(cn2)N2CCC2)ccc1F |r,t:2|
C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1F |r,t:2|
C[C@]1(COCC(N)=N1)c1cc(NC(=O)c2cncnc2)ccc1F |r,c:6|
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1C(F)(F)F |r,t:22|
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(NCC(F)(F)F)cn2)ccc1F |r,t:2|
C[C@]1(COCC(N)=N1)c1cc(NC(=O)c2ncccc2C#N)ccc1F |r,c:6|
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1C(F)F |r,t:22|
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(NC3CC3)cn2)ccc1F |r,t:2|
COCCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)CO[C@H]1C(F)(F)F |r,t:25|
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)CO[C@H]1C(F)(F)F)c1cc(NC(=O)c2cnc(OC(F)(F)C(F)(F)F)cn2)ccc1F |r,t:2|
C[C@]1(COCC(N)=N1)c1cc(N\C=C\c2ccc(cn2)C#N)ccc1F |r,c:6|
C[C@@]1(N=C(N)CO[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
C[C@]1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1)C#N |r,c:27,t:21|
C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2ncc(cc2F)C#N)ccc1F |r,c:8,t:2|
C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:8,t:2|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1 |r,c:28,t:22|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)C=C(CF)OC(N)=N2)c(C)n1 |r,c:25,t:19|
C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:8,t:2|
COc1cnc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1 |r,c:28,t:22|
C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2coc(n2)C(F)F)ccc1F |r,c:8,t:2|
C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2coc(CF)n2)ccc1F |r,c:8,t:2|
C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2ccn(n2)C(F)F)ccc1F |r,c:8,t:2|
Cc1c(O)cc2oc3C(O)Oc4cc(O)ccc4-c3c(=O)c2c1O
Clc1ccc2c(NCCNC(=O)c3cnccn3)ccnc2c1
Nc1ncnc2n(CCNCCN=Cc3ccc(O)cc3O)cnc12
Oc1ccc(C=NCCNCCn2cnc3ccccc23)c(O)c1
Oc1ccc(\C=N\CCn2ccc3ccccc23)c(O)c1
Oc1ccc(\C=N\CCn2ccc3cccnc23)c(O)c1
Oc1ccccc1\C=N\CCNc1ccnc2cc(Cl)ccc12
OC(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12
OC(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12
COc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)S(=O)(=O)c2ccccc2)cc1
OC(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
COc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)C1CCCCC1
Cc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)C1CCCCC1
OC(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
COc1ccc(cc1)S(=O)(=O)N(CCc1ccccc1)CC(O)Cn1c2ccccc2c2ccccc12
Cc1ccc(cc1)S(=O)(=O)N(CCc1ccccc1)CC(O)Cn1c2ccccc2c2ccccc12
OC(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
OC(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
Cc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)S(=O)(=O)c2ccccc2)cc1
COc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccccc1
OC(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12
Cc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccccc1
OC(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
OC(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
OC(CN(c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
OC(CN(c1ccc(cc1)C(F)(F)F)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
OC(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12
Cc1ccc(cc1)N(CC(O)Cn1c2ccccc2c2ccccc12)S(=O)(=O)c1ccccc1
COc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)c1ccccc1
OC(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12
Cc1ccc(cc1)S(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)c1ccccc1
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccccc1C(F)(F)F |r,c:5|
CO[C@H]1CC[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wU:13.15,5.4,wD:2.1,c:20,t:16,(42.8,-16.77,;41.71,-15.68,;40.22,-16.08,;39.13,-14.99,;37.64,-15.39,;37.25,-16.87,;37.1,-18.41,;35.59,-18.75,;34.81,-20.09,;33.28,-20.09,;32.51,-18.75,;33.27,-17.42,;34.81,-17.41,;35.84,-16.25,;34.46,-15.55,;34.7,-14.03,;33.6,-12.94,;36.22,-13.78,;36.92,-12.4,;36.93,-15.15,;30.97,-18.75,;30.21,-17.42,;28.66,-17.43,;27.9,-18.76,;28.67,-20.08,;30.21,-20.08,;27.9,-21.41,;27.12,-22.74,;26.34,-24.06,;38.34,-17.96,;39.82,-17.56,)|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ncc(s1)C(=O)Nc1cccc(OC)n1 |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccsc1 |r,c:5|
[H][C@@]12CCC[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:7|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1nccs1 |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1cccs1 |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccccc1OC |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ccccc1 |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ncccc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ncc(s1)C(=O)Nc1cccc(OC)c1 |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1nc(NC(=O)c2ccc(OC)cc2)cs1 |r,c:5|
O=C1N(CCCOc2ccc(cc2)-c2nc3ccccn3c2NC2CCCCC2)C(=O)c2ccccc12
COc1cc(ccc1OCCCN1C(=O)c2ccccc2C1=O)-c1nc2ccc(Br)cn2c1NC(C)(C)C
Cc1cccc2nc(c(NC3CCCCC3)n12)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1
Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1
Cc1ccn2c(NC3CCCCC3)c(nc2c1)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1
Cc1cccn2c(NC3CCCCC3)c(nc12)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1
Clc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1
CC(C)(C)Nc1c(nc2ccc(Cl)cn12)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1
COc1cc(ccc1OCCCN1C(=O)c2ccccc2C1=O)-c1nc2ccc(Cl)cn2c1NC(C)(C)C
COc1cc(ccc1OCCCN1C(=O)c2ccccc2C1=O)-c1nc2ccc(Br)cn2c1NC1CCCCC1
COc1cc(ccc1OCCCN1C(=O)c2ccccc2C1=O)-c1nc2ccccn2c1NC1CCCCC1
Brc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1
Cc1ccn2c(NC(C)(C)C)c(nc2c1)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1
COc1cc(ccc1OCCCN1C(=O)c2ccccc2C1=O)-c1nc2ccc(Cl)cn2c1NC1CCCCC1
CC(C)(C)Nc1c(nc2ccc(Br)cn12)-c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1
CC1=COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:5,t:1|
COCC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:3,7|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(OC(N)=N1)C(F)F)C#N |r,c:21,25|
C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2ncc(OCF)nc2N)ccc1F |r,c:8,t:2|
C[C@]1(C=COC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:2,6|
NC1=N[C@](C=C(CF)O1)(C1CC1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1,4|
COc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=C(CF)OC(N)=N1)C#N |r,c:28,t:22|
C[C@]1(C=C(CF)OC(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:8,t:2|
CC1=C[C@](CF)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1,6|
[H][C@@]12CC(=C)[C@@](C)(C(=O)[C@](C)(O)C(=O)OC)[C@]([H])(C(=O)OC)[C@@]1(C)CC(=O)[C@]1([H])C(C)(C)C(=O)CC[C@@]21C |r|
[H][C@@]12CC(=C)[C@@](C)(C(=O)[C@](C)(O)C(=O)OC)[C@]([H])(C(=O)OC)[C@@]1(C)[C@H](O)C(=O)[C@]1([H])C(C)(C)[C@H](O)CC[C@@]21C |r|
[H][C@]12C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]1(C)C(=C)C[C@@]1(O)[C@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@]21C |r,t:31|
[H][C@@]12CC(=C)[C@@]3(C)C(=O)[C@H](C)OC(=O)[C@]3([H])[C@@]1(C)[C@H](O)C(=O)[C@@]1([H])C(C)(C)C(=O)CC[C@@]21C |r|
[H][C@@]12CC(=C)[C@@]3(C)C(=O)[C@H](C)OC(=O)[C@]3([H])[C@@]1(C)[C@H](O)C(=O)[C@]1([H])C(C)(C)C(=O)CC[C@@]21C |r|
[H][C@@]12O[C@@]11[C@]3(C)CCC(=O)C(C)(C)C3=C(O)C(=O)[C@]1(C)[C@@]1([H])C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]1(C)C2=C |r,t:15|
[H][C@@]12CC(=C)[C@@]3(C)C(=O)[C@](C)(OC(=O)[C@]3([H])[C@@]1(C)[C@H](O)C(=O)[C@@]1([H])C(C)(C)C(=O)CC[C@@]21C)C(=O)OC |r|
[H][C@@]12CC(=C)[C@@]3(C)C(=O)[C@](C)(OC(=O)[C@]3([H])[C@@]1(C)[C@H](O)C(=O)[C@]1([H])C(C)(C)C(=O)CC[C@@]21C)C(=O)OCC |r|
[H][C@@]12CC(=C)[C@@](C)(C(=O)[C@](C)(O)C(=O)OC)[C@]([H])(C(=O)OC)[C@@]1(C)[C@H](O)C(=O)[C@@]1([H])C(C)(C)C(=O)CC[C@@]21C |r|
[H][C@@]12CC(=C)[C@@](C)(C(=O)[C@](C)(O)C(=O)OC)[C@]([H])(C(=O)OC)[C@@]1(C)C(=O)C(O)=C1C(C)(C)C(=O)CC[C@@]21C |r,t:28|
C[C@@]12CCC(=O)C([C@H]1C(=O)[C@H]([C@]3([C@H]2CC(=C)[C@@]4([C@@H]3C(=O)O[C@](C4=O)(C)C(=O)OC)C)C)O)(C)C
[H][C@@]12CC(=C)[C@@]3(C)C(=O)[C@](C)(OC(=O)[C@]3([H])[C@@]1(C)C(=O)C(O)=C1C(C)(C)C(=O)CC[C@@]21C)C(=O)OC |r,t:23|
[H][C@]12CC[C@@]3(C)[C@@]([H])(CC(=C)[C@@]4(C)C(=O)[C@](C)(O)C(=O)[C@@]34C(=O)OC)[C@]1(C)CCC(=O)C2(C)C |r|
[H][C@@]12CC(=C)[C@@]3(C)C(=O)[C@](C)(OC(=O)[C@@]3([H])[C@@]1(C)[C@H](O)C(=O)[C@]1([H])C(C)(C)C(=O)CC[C@@]21C)C(=O)OC |r|
[H][C@@]12CC(=C)[C@@]3(C)C(=O)O[C@@H](C)C(=O)[C@@]3(C(=O)OC)[C@@]1(C)CC(=O)[C@]1([H])C(C)(C)C(=O)CC[C@@]21C |r|
[H][C@@]12CC(=C)[C@@](C)(C(=O)[C@](C)(O)C(=O)OC)[C@]([H])(C(=O)OC)[C@@]1(C)[C@H](O)C(=O)[C@]1([H])C(C)(C)C(=O)CC[C@@]21C |r|
C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,t:2|
C[C@@H]1COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:5|
C[C@H]1COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:5|
C[C@@]1(N=C(N)O[C@@H](CF)[C@@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)O[C@H](CF)[C@@H]1F)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,t:2|
C[C@]1([C@H]([C@H](OC(=N1)N)C(C)(F)F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF
[H][C@@]1(OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F)[C@H](C)F |r,c:4|
[H][C@@]1(OC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F)[C@@H](C)F |r,c:4|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)O[C@H](CF)[C@@H]1F |r,t:22|
C[C@@]1(N=C(N)O[C@@H]([C@@H]1F)C1(F)CC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:2|
[H][C@@]12ON=C(C(=O)N[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C)[C@]1([H])CCCO2 |r,t:3|
[H][C@]12ON=C(C(=O)N[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C)[C@@]1([H])CCCO2 |r,t:3|
[H][C@]12OCC[C@@]1([H])C(=NO2)C(=O)N[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r,c:8|
[H][C@@]12OCC[C@]1([H])C(=NO2)C(=O)N[C@@H](CSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r,c:8|
[H][C@]12OCC[C@@]1([H])C(=NO2)C(=O)N[C@@H](CSC)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r,c:8|
[H][C@@]12OCC[C@]1([H])C(=NO2)C(=O)N[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r,c:8|
[H][C@]12CCO[C@@]1([H])ON=C2C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r,c:9|
[H][C@@]12CCO[C@]1([H])ON=C2C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r,c:9|
[H][C@@]12OCC[C@]1([H])C(=NO2)C(=O)N[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r,c:8|
[H][C@]12OCC[C@@]1([H])C(=NO2)C(=O)N[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r,c:8|
CN(C)Cc1ccccc1-c1ccc(NCCCCN2CCCCC2)c(OCCN2CCCCC2)c1
CN(C)Cc1ccc(cc1)-c1ccc(NCCCN2CCCCC2)c(OCCN2CCCCC2)c1
CN(C)Cc1ccccc1-c1ccc(NCCN2CCCCC2)c(OCCCCN2CCCCC2)c1
C(CNc1ccc(cc1OCCN1CCCCC1)-c1ccc(CN2CCCCC2)cc1)CN1CCCCC1
CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)cc1
CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl
C(CNc1ccc(cc1OCCN1CCCCC1)-c1cccc(CN2CCCCC2)c1)CN1CCCCC1
CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)c(OCCC2CCCCC2)c1
C(CN1CCCCC1)Oc1cccc(c1)-c1ccccc1
CC(C)CN(CCCN1CCN(CCCNc2nc3ccccc3[nH]2)CC1)CC(C)C
C(CNc1ccc(cc1OCCN1CCCCC1)-c1ccccc1CN1CCCCC1)CN1CCCCC1
Oc1c(CN2CCCC2)cc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCC1
C(CNc1ccc(cc1OCCN1CCCCC1)-c1ccccc1CN1CCOCC1)CN1CCCCC1
CN1CCN(Cc2ccccc2-c2ccc(NCCCN3CCCCC3)c(OCCN3CCCCC3)c2)CC1
CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)c(OCCN2CCCCC2)c1
CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)c(OCCCN2CCCCC2)c1
CN(C)Cc1ccccc1-c1ccc(NCCN2CCCCC2)c(OCCN2CCCCC2)c1
C(CNc1ccc(cc1OCCN1CCCCC1)-c1ccccc1)CN1CCCCC1
CN(C)Cc1ccccc1-c1cccc(OCCN2CCCCC2)c1
CN(C)Cc1ccn(c1)-c1ccc(NCCCN2CCCCC2)c(OCCN2CCCCC2)c1
CN(C)Cc1ccccc1-c1ccc(NCCN2CCCCC2)c(OCCCN2CCCCC2)c1
CN(C)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccccc1
CN(C)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(C)cc1
CN(C)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccc(C)cc3)c(=O)c2c1
OC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1
CN(C)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1ccc(F)c(c1)C#N)c1ncc(F)cn1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(n1)N1CCCC1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(C)n1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(Br)cs1)c1ncc(F)cn1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1ccc(Cl)c(c1)C#N)c1ncc(F)cn1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(CC)n1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cc(F)cc(c1)C#N)c1ncc(F)cn1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1nc(C)c(F)c(OC)n1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1nc(C)c(F)c(C)n1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(n1)N1CCOCC1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(OCCC)n1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(OCC)n1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(Cl)c1)c1ncc(F)cn1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cc(F)cc(F)c1)c1ncc(F)cn1 |r|
[H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cc(OC)cc(c1)C#N)c1ncc(F)cn1 |r|
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)CN[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CSCC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)CN[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NCC(=O)[C@H](CS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)NCc1ccccc1 |r|
CSC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)CN[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NCC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NCC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
CC(C)C[C@H](NCC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)NCc1ccccc1 |r|
CSCC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)CN[C@@H](CC(C)C)[C@@H](O)C[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)NCc1ccccc1 |r|
CCC1(Oc2ccccc2C(N)=N1)c1cccc(c1)-c1cncnc1 |c:12|
CC1(Oc2cccc(F)c2C(N)=N1)c1cccc(c1)-c1cncnc1 |c:12|
COC1CC(N=C1N)(c1ccc(OC)cc1)c1cccc(c1)-c1cccnc1 |c:5|
COc1cccc(c1)-c1cccc(c1)C1(C)N=C(N)CN1C(C)=O |t:18|
COc1cccc(c1)-c1cccc(c1)C1(C)OCCC(N)=N1 |c:22|
COc1ccc(cc1)C1(CCC(N)=N1)c1cccc(c1)-c1cncnc1 |c:13|
COc1cccc(c1)-c1cccc(c1)C1(C)SCC(N)=N1 |c:21|
COc1cccc(c1)-c1cccc(c1)C1(C)CSCC(N)=N1 |c:22|
CC1(SCCC(N)=N1)c1cccc(c1)-c1cncnc1 |c:6|
COc1ccc(cc1)C1(N=C(N)c2nc(C)sc12)c1cccc(c1)-c1cncnc1 |t:10|
CC1(Oc2ccccc2C(N)=N1)c1cccc(c1)-c1cccnc1 |c:11|
COc1cccc(c1)-c1cccc(c1)C1(SCC(N)=N1)c1ccncc1 |c:20|
COc1cccc(c1)-c1cccc(c1)C1(C)CCSC(N)=N1 |c:22|
CC1(Sc2ccccc2C(N)=N1)c1cccc(c1)-c1cncnc1 |c:11|
COc1ccc(cc1)C1(N=C(N)n2nc(C)cc12)c1cccc(c1)-c1cncnc1 |t:10|
COc1cccc(c1)-c1cccc(c1)C1(C)COCC(N)=N1 |c:22|
[H][C@@]12CCCCN1[C@](C)(N=C2N)c1cccc(c1)-c1cncc(F)c1 |r,c:10|
[H][C@]12CCCCN1[C@](C)(N=C2N)c1cccc(c1)-c1cncc(F)c1 |r,c:10|
CC1(Oc2cccc(F)c2C(N)=N1)c1cccc(c1)-c1cccnc1 |c:12|
COc1ccc(cc1)C1(SCC(N)=N1)c1cccc(c1)-c1cccnc1 |c:13|
COc1cccc(c1)-c1cccc(c1)C1(C)SCCC(N)=N1 |c:22|
CC1(Oc2ccccc2C(N)=N1)c1cccc(c1)-c1cncnc1 |c:11|
CC1(OCCC(N)=N1)c1cccc(c1)-c1cccc(Cl)c1 |c:6|
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(Cc2ccccc2)c1 |r|
COc1cncc(n1)-c1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
CSc1cccc(c1)-c1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
Cc1cccc(c1)-c1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
Cc1cccc(CCc2cccc(c2)[C@@H]2C[C@@H]2c2cc(=O)n(C)c(N)n2)c1 |r|
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(\C=C\c2ccccc2)c1 |r|
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(CCCc2ccccc2)c1 |r|
COc1ccc(cc1)-c1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
COc1cccc(CCc2cccc(c2)[C@@H]2C[C@@H]2c2cc(=O)n(C)c(N)n2)c1 |r|
Cn1c(N)nc(CCc2cccc(CCc3ccccc3)c2)cc1=O
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(c1)-c1cccc(N)c1 |r|
CCOc1cccc(c1)-c1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(c1)-c1cccc(F)c1 |r|
Cc1ccc(CCc2cccc(c2)[C@@H]2C[C@@H]2c2cc(=O)n(C)c(N)n2)cc1 |r|
CN(C)c1cccc(c1)-c1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(c1)C#Cc1ccccc1 |r|
Cn1c(N)nc(cc1=O)[C@H]1C[C@H]1c1cccc(CCc2ccccc2)c1 |r|
Cc1ccccc1CCc1cccc(c1)[C@@H]1C[C@@H]1c1cc(=O)n(C)c(N)n1 |r|
CN1C(=O)C[C@@](C)(CCc2cccc(c2)-c2ccccc2)N=C1N
[H][C@]1(C[C@H]1c1cccc(c1)-c1ccsc1)[C@]1(C)CC(=O)N(C)C(N)=N1
[H][C@]1(C[C@H]1c1cccc(c1)-c1cccs1)[C@]1(C)CC(=O)N(C)C(N)=N1
[H][C@]1(C[C@H]1c1cccc(c1)-c1cccc(CO)c1)[C@]1(C)CC(=O)N(C)C(N)=N1
[H][C@]1(C[C@H]1c1cccc(c1)-c1cccc(OCCC)c1)[C@]1(C)CC(=O)N(C)C(N)=N1
[H][C@]1(C[C@@H]1c1ccccc1)[C@]1(C)CC(=O)N(C)C(N)=N1
[H][C@]1(C[C@@H]1c1ccccc1)[C@@]1(C)CC(=O)N(C)C(N)=N1
[H][C@@]1(C[C@@H]1c1ccccc1)[C@@]1(C)CC(=O)N(C)C(N)=N1
C[C@]1(CC(=O)N(C(=N1)N)C)[C@@H]2C[C@H]2c3ccccc3
C[C@]1(CC(=O)N(C(=N1)N)C)CCc2ccccc2
[H][C@]1(C[C@H]1c1cccc(c1)-c1ccccc1)[C@]1(C)CC(=O)N(C)C(N)=N1
[H][C@]1(C[C@H]1c1cccc(C=Cc2ccccc2)c1)[C@]1(C)CC(=O)N(C)C(N)=N1
[H][C@]1(C[C@H]1c1ccccc1)[C@@]1(C)CC(=O)N(C)C(N)=N1
[H][C@@]1(C[C@@H]1c1ccccc1)[C@]1(C)CC(=O)N(C)C(N)=N1
[H][C@]1(C[C@H]1c1cccc(CCc2ccccc2)c1)[C@]1(C)CC(=O)N(C)C(N)=N1
[H][C@]1(C[C@H]1c1cccc(c1)-c1ccc(OC)cc1)[C@]1(C)CC(=O)N(C)C(N)=N1
[H][C@]1(C[C@H]1c1cccc(c1)-c1cccc(NC(C)=O)c1)[C@]1(C)CC(=O)N(C)C(N)=N1
[H][C@]1(C[C@H]1c1cccc(c1)-c1ccccc1OC)[C@]1(C)CC(=O)N(C)C(N)=N1
[H][C@@]1(C[C@H]1c1ccccc1)[C@]1(C)CC(=O)N(C)C(N)=N1
CN1C(=O)C[C@](C)(CCc2ccccc2)N=C1N
[H][C@@]1(C[C@H]1c1ccccc1)[C@@]1(C)CC(=O)N(C)C(N)=N1
[H][C@]1(C[C@H]1c1cccc(c1)-c1cccc(OC)c1)[C@]1(C)CC(=O)N(C)C(N)=N1
[H][C@]1(C[C@H]1c1cccc(c1)-c1cccnc1)[C@]1(C)CC(=O)N(C)C(N)=N1
Cc1csc(NC(=O)C2=C(C)NC(C)=C(C2c2ccco2)C(=O)Nc2nc(C)cs2)n1 |c:8,13|
CC1=C(C(C(C(=O)Nc2nc3ccccc3s2)=C(C)N1)c1ccccc1[N+]([O-])=O)C(=O)Nc1nc2ccccc2s1 |t:1,18|
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](C)CN[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Cc1csc(NC(=O)C2=C(C)NC(C)=C(C2c2ccccc2[N+]([O-])=O)C(=O)Nc2nc(C)cs2)n1 |c:8,13|
Cc1csc(NC(=O)C2=C(C)NC(C)=C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)Nc2nc(C)cs2)n1 |c:8,13|
CC(C)(C)OC(=O)N(C[C@@H](O)c1cccc(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1)Cc1ccccc1 |r|
CC(C)(C)OC(=O)N(C[C@H](O)c1cccc(NC(=O)c2cccc3ccccc23)c1)Cc1ccccc1 |r|
OC[C@H](Cc1ccccc1)NC[C@H](O)c1cccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1 |r|
CC(C)(C)OC(=O)N(C[C@H](O)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1)Cc1ccccc1 |r|
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(-c2ccccc2)c(C=O)c1NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1 |r|
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(-c2ccccc2)c2C=N[C@@H](c3ccccc3)C(=O)Nc12 |r,c:26|
CC(C)(C)OC(=O)N(C[C@@H](O)c1cccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1)Cc1ccccc1 |r|
CC(C)(C)OC(=O)N(C[C@H](O)c1cccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1)[C@H](CO)c1ccccc1 |r|
CC(C)(C)OC(=O)N1CCN(CC1)c1cccc(C=O)c1NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 |r|
CC(C)(C)OC(=O)N(C[C@H](O)c1cccc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)c1)[C@H](CO)Cc1ccccc1 |r|
CC(C)(C)OC(=O)N(C[C@H](O)c1ccc(C(=O)c2ccccc2)c(NC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)c1)Cc1ccccc1 |r|
O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cc(cc(n1)C(=O)N1COC[C@@H]1c1ccccc1)N=[N+]=[N-])C(=O)Nc1cccc(c1)-c1nn[nH]n1 |r|
CSc1cc(nc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(c1)-c1nn[nH]n1 |r|
COc1cc(nc(c1)C(=O)N1COC[C@@H]1c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(c1)-c1nn[nH]n1 |r|
O\C(\C=C\c1cccc(c1)[N+]([O-])=O)=C/C(=O)/C=C/c1ccc(O)c(O)c1
O\C(\C=C\c1c[nH]c2ccccc12)=C/C(=O)/C=C/c1ccc(O)c(O)c1
O\C(\C=C\c1ccccc1O)=C/C(=O)/C=C/c1ccc(O)c(O)c1
Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(O)c2)cc1O |w:5.4,13.13|
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O |w:6.6,13.13|
COc1ccccc1\C=C\C(\O)=C\C(=O)\C=C\c1ccc(O)c(O)c1
C[C@]1([C@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF
C[C@]1([C@@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:6|
CO[C@H]1CSC(N)=N[C@]1(C)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:6|
C[C@@]1(N=C(N)SC[C@@H]1C1CCOCC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)SCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:2|
C[C@]1(C2(CCS(=O)(=O)CC2)CSC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F |r,c:6|
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:6|
C[C@@]1(N=C(N)SCC11CCOCC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:2|
C[C@@]1(N=C(N)SCC11CCC(F)(F)CC1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:2|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CCSC(N)=N1 |r,c:26|
C[C@]1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:6|
CN1C[C@](C)(N=C(N)C1=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:5|
C[C@]1(Cn2nccc2C(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C#N)c1 |r,c:10|
C[C@]1(Cn2ncnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
C[C@]1(Cn2nnnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
C[C@]1(Cn2cncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
C[C@]1(Cn2cnnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
C[C@]1(Cn2ccnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
C[C@]1(Cn2ccnc2C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:10|
CC1(C)Oc2ccc(C(=O)\C=C\c3ccc(O)cc3)c(O)c2C=C1 |c:24|
C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF)F
COc1ccc2nc3CCCCc3c(NCCCCCCCCNC(=S)NC34CC5CC(CC(C5)C3)C4)c2c1 |TLB:26:27:30:34.33.32,THB:32:33:30.31.36:28,32:31:28:34.33.35,35:33:30:36.27.28,35:27:30:34.33.32|
C\C(CC\C=C(/C)CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\Cc1cc(ccc1O)C(O)=O
C\C(CC\C=C(/C)C(O)=O)=C/CCC(=C)C(O)CC\C(C)=C\Cc1cc(ccc1O)C(O)=O
C\C(CC\C=C(/C)C(O)=O)=C/CC\C(C)=C\CCC1(C)Oc2ccc(cc2C=C1)C(O)=O |c:28|
Clc1ccc2nc([nH]c2c1)-c1cccc(c1)N1CCc2ccccc2C1
FC(F)(F)Oc1ccc2nc([nH]c2c1)-c1cccc(n1)N1CCc2ccccc2C1
Clc1ccc2nc([nH]c2c1)-c1cccc(n1)N1CCc2ccccc2C1
FC(F)(F)c1ccc2nc([nH]c2c1)-c1cccc(n1)N1CCc2ccccc2C1
CC1(C)C(N)=N[C@@]2(CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)CS1(=O)=O |r,c:4|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CC[C@@](C)(C#N)C(N)=N1 |r,c:29|
[H][C@]12OCC(F)(F)[C@@]1([H])OC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:12|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H]2C(F)F)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F |r,c:5|
[H][C@@]12CCOc3ccc(NC(=O)c4ncc(Cl)cc4C)cc3[C@@]1(C)N=C(N)C(C)(C)S2(=O)=O |r,t:27|
C[C@]1(Cn2cnc(C(F)F)c2C(N)=N1)c1cc(NC(=O)c2ccc(cc2)C#N)ccc1F |r,c:13|
[H][C@]12CSC(N)=N[C@]1(Cc1c(C2)c(cnc1OC)C(=O)NC1CC1)c1ccc(F)cc1F |r,c:5|
C[C@H]1SC(N)=N[C@](C)(c2cc(NC(=O)c3cnc(F)cn3)ccc2F)C11CC(F)(F)C1 |r,c:4|
COC[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6|
C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:4|
[H][C@@]12CC[C@@](C)(C(N)=N[C@]1(C)c1cc(NC(=O)c3ncc(Cl)cc3C)ccc1F)S2(=O)=O |r,c:7|
[H][C@@]12C[C@@]1(SC(N)=N[C@]2(CF)c1cc(NC(=O)c2cnc(Cl)cn2)ccc1F)C(F)F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2nc3ccc(nc3s2)C#N)ccc1F |r,c:7|
[H][C@@]12CN(C[C@@]1(N=C(N)SC2)c1ccns1)c1nc(C)c(F)c(OC)n1 |r,t:7|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H]2C(C)(F)F)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H]2C(C)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CCO2)c1cccc(NC(=O)c2cnc(cn2)C(F)F)c1 |r,c:5|
Cn1cc2C(N)=N[C@@](C)(Cn2c1=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:5|
NC1=N[C@]2(COC[C@@]2(F)CO1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
C[C@]1(C[C@H](SC(N)=N1)C(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:6|
CC#CCOc1cnc(cn1)C1=Nc2cc(c(F)cc2CN1)[C@]1(C)C[C@H](OC(N)=N1)C(F)(F)F |r,c:31,t:12|
COc1cnc(nc1)-c1cc(on1)-c1ccc(F)c(c1)[C@]1(C)C[S@](=O)(=NC)N(C)C(N)=N1 |r,c:33|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS2(=O)=NCCCCN2C(N)=N1)C#N |r,c:32|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS2(=O)=NCCCCC2(C)C(N)=N1)C#N |r,c:33|
[H][C@@]12CCN=[S@]1(=O)C(C)(C)C(N)=N[C@]2(C)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,c:12|
[H][C@@]12CCC(F)(F)[C@]1([H])[C@](C)(N=C(N)O2)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:12|
C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(CCC(F)(F)F)C2)S1(=O)=O |r,c:3|
CN1C(N)=N[C@@]2(CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc23)CS1(=O)=O |r,c:3|
[H][C@@]12CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc3[C@@]1(C)N=C(N)N(C)S2(=O)=O |r,t:27|
[H][C@]12CCOc3ccc(NC(=O)c4ccc(cn4)C#N)cc3[C@@]1(C)N=C(N)N(C)S2(=O)=O |r,t:27|
CN=[S@@]1(=O)C[C@](C)(N=C(N)C1(C)C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:7|
CN=[S@@]1(=O)C[C@](C)(N=C(N)N1C)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,t:7|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(NC(=S)c2ccc(cn2)C#N)ccc1F |r,c:3|
[H][C@@]12C[C@H](COC)OC[C@@]1(N=C(N)N(C)S2(=O)=O)c1cc(Oc2cc(ccn2)C#N)ccc1F |r,t:11|
C[C@]1(Cc2ncncc2C(N)=N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:11|
CC#CC(=O)Nc1ccc(F)c(c1)C1(C)Cc2c(F)cncc2C(N)=N1 |c:26|
C[C@]1(CCC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:5|
C[C@@]1(N=C(N)C[C@H]1C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
NC1=N[C@]2(COC[C@@]2(F)CS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
[H][C@]12C[C@@](C)(C#N)C(N)=N[C@]1(CO[C@@H]2C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:8|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H]2C(F)(F)F)c1cc(NC(=O)c2cnc(OC)cn2)ccc1F |r,c:5|
[H][C@@]12COC[C@@]1(N=C(N)c1cccn21)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:7|
C[C@]1(C[C@H](SC(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F |r,c:6|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:6|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1ncc(NC(=O)c2ccc(OC(F)F)cn2)s1 |r,c:5|
[H][C@]12CSC(N)=N[C@]1(Cc1c(C2)c(CC2CCOCC2)cnc1OC)c1ccc(F)cc1F |r,c:5|
CC1(Cc2ncc(F)cc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |c:12|
[H][C@@]12SC(N)=N[C@](CF)(c3cc(NC(=O)c4cnc(Cl)cn4)cc(F)c3F)[C@]1([H])C2(F)F |r,c:4|
[H][C@@]12CN(C[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2cnc(OC)cn2)ccn1)c1ncc(F)cn1 |r,t:7|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H]2C(C)(F)F)c1cc(NC(=O)c2cnc(cn2)-n2cncn2)ccc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(CO[C@@H]2C)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:5|
CC(F)(F)[C@@H]1C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F |r,t:8|
CN1C(N)=N[C@@](C)(C[S@@]1(=O)=NCC(F)(F)F)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,c:3|
[H][C@@]12CCN=[S@]1(=O)C(C)(C)C(N)=N[C@]2(C)c1nc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,c:12|
C[C@@]1(N=C(N)OC2(COC2)[C@H]1F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:2|
CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F)C2(CC2)S1(=O)=O |r,c:3|
CN1C[C@H](N=C(N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:4|
COc1cnc2c(Nc3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(N)=N3)nccc2c1 |r,c:25|
C[C@]1(Cc2nccnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:11|
C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F)S(C)(=O)=O |r,c:7|
NC1=N[C@@]2(COc3ccc(NC(=O)c4cnc(OCC(F)(F)F)cn4)cc23)[C@@H](C1)C(F)(F)F |r,t:1|
C[C@]1(CS2(=O)=NCCCCN2C(N)=N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:13|
COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@]12COC[C@@]1(F)C[C@](C)(F)C(N)=N2 |r,c:32|
[H][C@]12COC(N)=N[C@]1(CO[C@@H]2C(F)(F)F)c1cc(NC(=O)c2ccc(cn2)C(F)(F)F)ccc1F |r,c:5|
C[C@]1(C[C@H](OC(N)=N1)C(F)(F)F)c1cc(ccc1F)-c1cc(no1)-c1cnc(cn1)C#N |r,c:6|
[H][C@@]12CCCC(F)(F)[C@]1([H])[C@](C)(N=C(N)O2)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:13|
C(Nc1c2CCCCc2nc2ccccc12)c1ccc(cc1)-c1ccc(CNc2c3CCCCc3nc3ccccc23)cc1
[H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCCC)cn2)cc(F)c1F |r,c:10|
[H][C@@]12C[C@@]1(SC(N)=N[C@]2(C)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F)C(=O)NC |r,c:7|
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)C1=CCCOC1)-c1cccnc1F |r,t:1,24|
[H][C@@]12C[C@]1(CF)SC(N)=N[C@]2(C)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |r,c:9|
CN(CC#C)Cc1ccc(O)c2ncccc12
COc1ccc(CNC(=O)C2CCN(CC2)C(=O)c2ccccc2)cc1OC
CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
OC(CNCc1cccc(OCc2ccccc2)c1)Cn1cc(Br)c2cc(Br)ccc12
COc1ccc2[nH]c3nc4CCCCc4c(N)c3c2c1
Oc1ccc2[nH]c(CCNC(=O)\C=C\c3ccccc3)cc2c1
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(Br)c1 |c:3|
COc1ccc(c(OC)c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:19|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(F)cc1C |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(cc1)-c1ccccc1 |c:3|
COc1cc(OC)cc(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:19|
COc1ccc(cc1OC)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:19|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(cc1)C(C)(C)C |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(C)cc1F |c:3|
COc1cccc(OC)c1-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:19|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1c(C)cccc1C |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cc(C)cc(C)c1 |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(C)c(C)c1 |c:3|
COc1cccc(-c2cccc(c2)C2(N=C(N)N(C)C2=O)c2ccccc2)c1OC |t:15|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(C)cc1C |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1ccc(OCc2ccccc2)cc1 |c:3|
COc1cccc(-c2cccc(c2)C2(N=C(N)N(C)C2=O)c2ccccc2)c1F |t:15|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1c(C)cc(C)cc1C |c:3|
CCc1ccc(cc1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:17|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cc(C)ccc1C |c:3|
COc1ccc(OC)c(c1)-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:19|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cccc(c1)-c1ccccc1 |c:3|
CN1C(N)=NC(C1=O)(c1ccccc1)c1cccc(c1)-c1cc(F)ccc1C |c:3|
COc1ccc(F)cc1-c1cccc(c1)C1(N=C(N)N(C)C1=O)c1ccccc1 |t:18|
Clc1ccc(Cn2cc(COc3ccc(\C=N\Nc4nnc(-c5ccccc5)c(n4)-c4ccccc4)cc3)nn2)cc1
[O-][N+](=O)c1ccc(Cn2cc(COc3ccc(\C=N\Nc4nnc(-c5ccccc5)c(n4)-c4ccccc4)cc3)nn2)cc1
C(CN1CCC(CC1)C(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)C1
O=C(CN1CCC(CC1)C(c1ccccc1)c1ccccc1)NC1CCN(Cc2ccccc2)C1
Cc1c(OCc2ccccc2)cccc1N1CCN(CC(=O)NC2CCN(Cc3ccccc3)C2)CC1
[H][C@]12CSC(N)=N[C@]1(Cc1c(C2)c(Cc2c(C)noc2C)cnc1OC)c1ccc(F)cc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(Cc1c(C2)c(Cc2ccc(OC)cc2)cnc1OC)c1ccc(F)cc1F |r,c:5|
[H][C@]12CSC(N)=N[C@]1(Cc1c(C2)c(Cc2c(C)cccc2C)cnc1OC)c1ccc(F)cc1F |r,c:5|
O=c1[nH]c2[nH]ccc2c(=O)[nH]1
CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(cc2)C(F)(F)F)cc1 |r|
CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(c(Cl)c2)C(F)(F)F)cc1 |r|
CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(Oc3ccccc3)cc2)cc1 |r|
Cc1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(cc2)C(F)(F)F)cc1 |r|
CN(C)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(c(F)c2)C(F)(F)F)cc1 |r|
CCN(CC)c1ccc(CNC(=O)[C@@H]2CNC[C@H]2c2ccc(cc2)C(F)(F)F)cc1 |r|
CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2ccc(nc2)C(F)(F)F)cc1 |r|
c1cc2c(nc1)nc([nH]2)N
Nc1nc2c(ccnc2[nH]1)-c1ccncc1F
COC(=O)[C@H]1C[C@H](C[C@H](C1)C(=O)OC)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(C)C |r|
C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(cc3F)F
Cc1nocc1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F |r,t:11|
Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1 |r,t:12|
Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1sccc1Cl |r,t:12|
Cn1nccc1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F |r,t:11|
CCc1noc(CC)c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F |r,t:14|
Cc1onc(c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F)-c1ccccc1 |r,t:11|
Cc1noc(c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F)-c1ccccc1 |r,t:11|
Cc1onc(c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F)-c1cccnc1 |r,t:11|
Cc1onc(c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F)-c1ccc(F)cc1 |r,t:11|
Cc1noc(C(F)F)c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F |r,t:14|
Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3ccc(cc3F)F
CCc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F |r,t:13|
Cc1noc(c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccc(F)cc1F)-c1ccc(F)cc1 |r,t:11|
Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1ccccc1 |r,t:12|
C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1
FC(F)(F)Oc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
Cc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)cc1
COc1cccc(\C=N\C2CCN(Cc3ccccc3)CC2)c1OC
C(N1CCC(CC1)\N=C\c1ccccc1)c1ccccc1
Oc1ccccc1\C=N\C1CCN(Cc2ccccc2)CC1
Oc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)cc1
Oc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)c(O)c1
[O-][N+](=O)c1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)cc1
FC(F)(F)c1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)cc1
Clc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)c(Cl)c1
Fc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)cc1
Fc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)c(F)c1
COc1cc(CNC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
Oc1ccccc1CNC1CCN(Cc2ccccc2)CC1
Oc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(O)c1
[O-][N+](=O)c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(Cl)c1
Fc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
FC(F)(F)Oc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)cc1
Cc1cccc(CNC2CCN(Cc3ccccc3)CC2)c1
Cc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
COc1cc(\C=N\C2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
Cc1cccc(\C=N\C2CCN(Cc3ccccc3)CC2)c1
Clc1ccc(\C=N\C2CCN(Cc3ccccc3)CC2)cc1
COc1cccc(CNC2CCN(Cc3ccccc3)CC2)c1OC
Oc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
FC(F)(F)c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
Fc1ccc(CNC2CCN(Cc3ccccc3)CC2)c(F)c1
c1cc(ncc1F)C(=O)N[C@H]2C[C@@H]2[C@]34COC[C@H]3CSC(=N4)N
[H][C@]1(C[C@H]1C(=O)Nc1ccc(F)cn1)[C@]12COC[C@@]1([H])CSC(N)=N2 |r,c:26|
[H][C@]1(C[C@H]1C(=O)NCC)[C@]12COC[C@@]1([H])CSC(N)=N2 |r,c:20|
[H][C@]1(C[C@H]1C(=O)NCCC)[C@]12COC[C@@]1([H])CSC(N)=N2 |r,c:21|
CCCCNC(=O)[C@@H]1C[C@H]1[C@]23COC[C@H]2CSC(=N3)N
C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N
[H][C@]1(C[C@H]1NC(=O)CCCC)[C@]12COC[C@@]1([H])CSC(N)=N2 |r,c:22|
[H][C@]1(C[C@H]1C(=O)NCCCC)[C@]12CN(C[C@@]1([H])CSC(N)=N2)c1ncccn1 |r,c:22|
C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5
C[C@@H]1C[C@H]1COC(C)(C)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5
COC(=O)[C@H]1OCC(=S)N[C@@H]1c1ccc(OC)cc1 |r|
C[C@]1(CCC(F)(F)C(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:8|
NC1=N[C@@](CF)(CCC1(F)F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:1|
[H][C@@]12CCOC[C@@]1(N=C(N)C(F)(F)C2)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:8|
[H][C@@]12COCC[C@@]1(N=C(N)C(F)(F)C2)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:8|
[H][C@@]12C[C@H](C)OC[C@@]1(N=C(N)C(F)(F)C2)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:9|
[H][C@@]12C[C@H](CF)OC[C@@]1(N=C(N)C(F)(F)C2)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:10|
CC(C)CN(C[C@H](O)[C@@H](N)c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
O=C(N\N=C\c1ccccc1)N1CCN(CC1)c1ccccn1
COc1cccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)c1OC
COc1cc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc(OC)c1OC
Oc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1
Oc1ccccc1\C=N\NC(=O)N1CCN(CC1)c1ccccn1
Oc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)c(O)c1
Cc1cccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)c1
Cc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1
[O-][N+](=O)c1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1
FC(F)(F)c1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1
FC(F)(F)Oc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1
Clc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1
Fc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1
Brc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1
Fc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)c(F)c1
C1CN(CCN1c1nnc(o1)-c1ccccc1)c1ccccn1
COc1cccc(-c2nnc(o2)N2CCN(CC2)c2ccccn2)c1OC
COc1cc(cc(OC)c1OC)-c1nnc(o1)N1CCN(CC1)c1ccccn1
Oc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1
Oc1ccccc1-c1nnc(o1)N1CCN(CC1)c1ccccn1
Oc1ccc(-c2nnc(o2)N2CCN(CC2)c2ccccn2)c(O)c1
Cc1cccc(c1)-c1nnc(o1)N1CCN(CC1)c1ccccn1
Cc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1
[O-][N+](=O)c1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1
FC(F)(F)c1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1
FC(F)(F)Oc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1
Clc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1
Fc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1
Brc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1
Fc1ccc(-c2nnc(o2)N2CCN(CC2)c2ccccn2)c(F)c1
C(N1CCC(C1)\N=C/c1ccccc1)c1ccccc1
COc1cc(\C=N/C2CCN(Cc3ccccc3)C2)cc(OC)c1OC
Oc1ccc(\C=N/C2CCN(Cc3ccccc3)C2)cc1
Oc1ccc(\C=N/C2CCN(Cc3ccccc3)C2)c(O)c1
[O-][N+](=O)c1ccc(\C=N/C2CCN(Cc3ccccc3)C2)cc1
FC(F)(F)c1ccc(\C=N/C2CCN(Cc3ccccc3)C2)cc1
FC(F)(F)Oc1ccc(\C=N/C2CCN(Cc3ccccc3)C2)cc1
Clc1ccc(\C=N/C2CCN(Cc3ccccc3)C2)cc1
Fc1ccc(\C=N/C2CCN(Cc3ccccc3)C2)cc1
Brc1ccc(\C=N/C2CCN(Cc3ccccc3)C2)cc1
Fc1ccc(\C=N/C2CCN(Cc3ccccc3)C2)c(F)c1
C(NC1CCN(Cc2ccccc2)C1)c1ccccc1
COc1cccc(CNC2CCN(Cc3ccccc3)C2)c1OC
COc1cc(CNC2CCN(Cc3ccccc3)C2)cc(OC)c1OC
Oc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
Oc1ccccc1CNC1CCN(Cc2ccccc2)C1
Oc1ccc(CNC2CCN(Cc3ccccc3)C2)c(O)c1
Cc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
[O-][N+](=O)c1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
FC(F)(F)c1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
FC(F)(F)Oc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
Clc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
Fc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
Brc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
Fc1ccc(CNC2CCN(Cc3ccccc3)C2)c(F)c1
C[C@]1(C[S@@]2(=O)=NCC(F)(F)CN2C(N)=N1)c1cc(NC(=O)c2cnc(cn2)C#N)ccc1F |r,c:14|
NC1=N[C@@](CF)(C[S@@]2(=O)=NCCCCN12)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
CN1C(N)=N[C@@](C)(C[S@]1(=O)=NCC(F)(F)F)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,c:3|
CN=[S@@]1(=O)C[C@](C)(N=C(N)N1CC(F)(F)F)c1cc(NC(=O)c2ncc(cc2C)C#N)ccc1F |r,t:7|
[H][C@@]12C[C@]1(COC)SC(N)=N[C@]2(CF)c1cc(\C=C\c2ccc(Cl)cn2)ccc1F |r,c:10|
COc1cc2OC(C)(CC(=O)NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1OCc1ccccc1
COc1cc2OC(C)(CC(=O)NCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1OCc1ccccc1
COc1cc2OC(C)(CC(=O)NCCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1OCc1ccccc1
COc1cc2OC(C)(CC(=O)NCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)CCc2cc1OCc1ccccc1
NC1=N[C@@](CF)(CCS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1|
C[C@]1(CCSC(N)=N1)c1cc(ccc1F)C(=O)Nc1ccc(Cl)cn1 |r,c:6|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-n1[se]c2ccccc2c1=O |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-n1[se]c2cc(F)ccc2c1=O |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-n1[se]c2ccc(F)cc2c1=O |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-n1[se]c2cc(F)c(F)cc2c1=O |r,c:3|
CN1C(N)=N[C@@](C)(CS1(=O)=O)c1cc(ccc1F)-n1[se]c2ccc(cc2c1=O)C(F)(F)F |r,c:3|
COc1ccc2c(c1)[se]n(-c1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)N(C)C(N)=N1)c2=O |r,c:28|
COc1ccc2[se]n(-c3ccc(F)c(c3)[C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c(=O)c2c1 |r,c:25|
CC1(Oc2cc(F)ccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |c:12|
CC1(Oc2ccccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |c:11|
CC1(Cc2ccncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |c:11|
CC1(Cc2ncccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |c:11|
CC1(Cc2cccnc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |c:11|
CC1(Cc2cnccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |c:11|
CC1(Cc2c(F)nccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |c:12|
CC1(Cc2c(F)cncc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |c:12|
CC1(Cc2cncc(F)c2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |c:12|
C[C@]1(Cc2c(F)nccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:12|
CC#C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N
CC#C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:8|
CC#C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:4|
CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:4|
CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NCCC(c2ccccc2)c2ccccc2)c1 |r|
CC(C)(C)c1cccc(CNCC(O)CNCCC(c2ccccc2)c2ccccc2)c1
O[C@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
O[C@@H](CNCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
COc1ccccc1CNC[C@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 |r|
CC(C)(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CC(c2ccccc2)c2ccccc2)c1 |r|
CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 |r|
CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CC(c2ccccc2)c2ccccc2)c1 |r|
O[C@@H](CNCc1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 |r|
O[C@@H](CNCc1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
CC(C)(C)c1ccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 |r|
CC(C)(C)c1ccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 |r|
CC(C)(NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 |r|
CC(C)(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
O[C@H](CNCC(F)(F)F)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 |r|
[#6]-[#8]-c1c(-[#8])c(-[#8])c(-[#6](-[#8])=O)c(-[#6])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
COC(=O)c1c(C)cc(O)c(C\C=C(/C)CCCC2=C\C(OC2=O)=C/C(C)(C)O)c1O |t:18|
C\C(CCCC1=C\C(OC1=O)=C/C(C)(C)O)=C/Cc1c(O)cc(C)c(C(O)=O)c1O |t:5|
C\C(CC[C@H](O)C(C)(C)O)=C/CC\C(C)=C\Cc1c(O)cc(C)c(C(O)=O)c1O |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#6])cc1-[#8]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#6])c(-[#6](-[#8])=O)c1-[#8]
[#6]-[#8]-[#6](=O)-c1c(-[#6])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c(-[#8])c1-[#8]
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(O)C(C)Nc1ccc(C)cc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@@H](O)[C@@H](C)Nc1ccc(C)cc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@@H](O)[C@H](C)Nc1ccc(C)cc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CNc1ccc(C)cc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)[C@@H](C)Nc1ccc(C)cc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)[C@H](C)Nc1ccc(C)cc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(C)cc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccccc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(CC(C)C)cc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(cc1)C1CCCC1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(cc1)C(C)(C)C |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(cc1)C(F)(F)F |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(cc1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(CC(O)=O)cc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(CCC(O)=O)cc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(cc1)C(C)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(cc1)C(C)(C)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cccc(C)c1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cccc(c1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cccc(CC(O)=O)c1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cccc(c1)C(=O)OC |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(C)c(c1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cc(C)cc(c1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1cccc2ccccc12 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc2CCCCc2c1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNC1CCCCC1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNC1CCCCCC1 |r|
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNC1CCCCCCC1 |r|
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNS(=O)(=O)c1cn[nH]c1 |t:1|
CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCCNC(=O)c1cc(O)cc(O)c1 |t:1|
CCc1cc(cc(CC)n1)[C@@]1(N=C(N)N(C)C1=O)c1ccc(F)c(c1)-c1cccnc1C(F)F |r,t:12|
COC[C@]12CC1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F |r,t:9|
C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OCCO4)F
CCS(=O)(=O)[C@@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OC(O4)(F)F)C
C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F)S(C)(=O)=O |r,c:7|
C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F)S(C)(=O)=O |r,c:7|
C[C@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc(ncn3)OC)S(=O)(=O)C
C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCCOc3cn2)ccc1F)S(C)(=O)=O |r,c:7|
C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCOc3cn2)ccc1F)S(C)(=O)=O |r,c:7|
C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCCCOc3cn2)ccc1F)S(C)(=O)=O |r,c:7|
C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCC(F)(F)Oc3cn2)ccc1F)S(C)(=O)=O |r,c:7|
C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OC(F)(F)Oc3cn2)ccc1F)S(C)(=O)=O |r,c:7|
CC(C)S(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OC(F)(F)Oc3cn2)ccc1F |r,c:13|
C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2ccc(OCF)cn2)ccc1F |r,c:4|
C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cc3CCCOc3cn2)ccc1F |r,c:4|
C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cc3OCCCc3cn2)ccc1F |r,c:4|
C[C@]1(CS(=O)(=O)N(C(=N1)N)C)c2cc(ccc2F)NC(=O)c3ccc(cn3)F
Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N |r,c:28|
c1cc(sc1)[C@]23CN(C[C@H]2CSC(=N3)N)c4ncccn4
[H][C@@]12CN(C[C@@]1(N=C(N)SC2)c1cccs1)c1ncc(F)cn1
[H][C@@]12CN(C[C@@]1(N=C(N)SC2)c1cnccn1)c1ncc(F)cn1
[H][C@@]12CN(C[C@@]1(N=C(N)SC2)c1ccc(s1)C#N)c1ncc(F)cn1
c1cnsc1[C@]23CN(C[C@H]2CSC(=N3)N)c4ncc(cn4)F
C[C@]1(Cn2cc(nc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10|
C[C@]1(Cn2c(cnc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,c:10|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2c(cnc2C(N)=N1)C#N |r,c:30|
C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:10|
C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:10|
C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:10|
C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2cnc(cn2)C(F)F)ccc1F |r,c:10|
C[C@]1(Cn2nc(cc2C(N)=N1)C#N)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:10|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)Cn2nc(cc2C(N)=N1)C#N |r,c:30|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(OCCF)nc2N)ccc1F |r,c:7|
COCCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(N)n1 |r,c:27|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1nc(NC(=O)c2ncc(cc2N)C(F)(F)F)ccc1F |r,c:7|
CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)[C@H](O)CNc1ccc(C)cc1 |r|
[H][C@]1(CCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r|
[H][C@]1(CC\C=C\C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r,t:4|
[H][C@]1(CC\C=C/C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r,c:4|
[H][C@]1(CCCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r|
[H][C@]1(CC\C=C\CC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r,t:4|
[H][C@]1(CC\C=C/CC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r,c:4|
[H][C@]1(CCCCCOC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r|
[H][C@]1(CC\C=C\COC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r,t:4|
[H][C@]1(CC\C=C/COC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r,c:4|
[H][C@]1(CCCCO[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r|
[H][C@]1(C\C=C\CO[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r,t:3|
[H][C@]1(C\C=C/CO[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r,c:3|
[H][C@]1(CCCCO[C@@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r|
[H][C@]1(C\C=C\CO[C@@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r,t:3|
[H][C@]1(C\C=C/CO[C@@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r,c:3|
[H][C@]1(CCCCOC(C)(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r|
[H][C@]1(C\C=C/COC(C)(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(C)cc1 |r,c:3|
[H][C@]1(CCCCOC(C)(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(CC(O)=O)cc1 |r|
[H][C@]1(C\C=C/COC(C)(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCC)C(=O)N1)[C@H](O)CNc1ccc(CC(O)=O)cc1 |r,c:3|
C[C@]1(CCSC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br
Cc1nc(cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N |r,c:26|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2Cl)C#N)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(cc2N)C#N)ccc1F |r,c:7|
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)c1 |r,c:24|
Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F |r,c:30|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(OC(F)F)cc2Cl)ccc1F |r,c:7|
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F |r,c:7|
NC1=NC(CC(=O)N1)c1ccc(F)cc1 |t:1|
COc1cc(\C=C\c2nnc(o2)-c2ccc(cc2)C(F)(F)F)ccc1O
COc1cc(\C=C\c2nnc(o2)-c2ccc(OC(F)(F)F)cc2)ccc1O
COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F
[H][C@]12CC(=O)OC(C)(C)[C@]11CC[C@@]3(C)C([C@H](O)[C@@]4(C)OC(=O)[C@]5(O)[C@@H](C)OC(=O)[C@@]35C4=C)=C1CO2 |r,c:35,THB:31:30:14.12.15:19.22.20|
CC1N(CCCC(=O)N(Cc2cnn(C)c2)C2CCCCC2)C(N)=Nc2ccc(Oc3ccccc3)cc12 |c:25|
Cn1cc(CN(C2CCCCC2)C(=O)CCCN2C(CC3CCCCC3)c3cc(Oc4ccccc4)ccc3N=C2N)cn1 |c:43|
Cn1c(N\N=C\c2ccc(O)cc2O)nc2ccccc2c1=O
C[C@@H]([C@@H]1CC[C@@H](O1)c1cc(F)c(Cl)cc1C(F)(F)F)N1CCn2c(ccc(-n3cnc(C)c3)c2=O)C1=O
COc1cc(OC)cc(\C=C\c2cc(=O)oc3c4cc(oc4ccc23)-c2cc(OC)cc(OC)c2)c1
COc1cc2oc(cc(=O)c2cc1OC)C(=O)Nc1cccc(CN(C)Cc2ccccc2)c1
Oc1cc(cc(O)c1O)C(=O)OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1 |r|
O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1ccc2nc3CCCn3c(=O)c2c1
Cc1cc2nc(-c3cnc(N)s3)c(nc2cc1C)-c1cnc(N)s1
CC1(C)C(=N)N[C@@](C)(CS1(=O)=O)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(CF)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(CF)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1 |r|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1 |r|
C[C@]1(CS(=O)(=O)[C@@](C)(CF)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(CF)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
C[C@]1(CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F |r|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@@](C)(CF)C(=N)N1)C#N |r|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@](C)(CF)C(=N)N1)C#N |r|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N1)C#N |r|
Cc1cc(cnc1C(=O)Nc1ccc(F)c(n1)[C@]1(C)CS(=O)(=O)[C@](C)(C(F)F)C(=N)N1)C#N |r|
[H][C@]12CC[C@@H](C[C@]1([H])C1(CSC(N)=N1)c1cc(ccc1O2)-c1cncc(F)c1)NC(=O)C(C)(C)C |r,c:13|
C[C@]1(CCC2(CC2)C(N)=N1)c1cc(ccc1F)-c1ccc(Cl)cn1 |r,c:9|
[H][C@@]12C[C@]1([H])C(N)=N[C@@](C)(C2)c1cc(ccc1F)-c1ccc(Cl)cn1 |r,c:7|
CC1CC[C@](CF)(N=C1N)c1cc(ccc1F)-c1cc2OC(F)(F)Oc2cn1 |r,c:7|
COc1cnc(cn1)-c1ccc(F)c(c1)[C@]1(C)CC[C@@](C)(C#N)C(N)=N1 |r,c:26|
COc1cnc(cn1)-c1ccc(F)c(c1)[C@]1(CF)CC[C@@](C)(C#N)C(N)=N1 |r,c:27|
COc1cnc(cn1)-c1ccc(F)c(c1)[C@]1(CF)CC[C@](C)(C#N)C(N)=N1 |r,c:27|
COc1cnc(cn1)-c1ccc(F)c(c1)[C@@]1(CC[C@@](C)(C#N)C(N)=N1)C(F)F |r,c:25|
CN(C)C(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(ccc1F)-c1ccc(F)cn1 |r,c:12|
CN(C)S(=O)(=O)[C@]1(C)CC[C@](CF)(N=C1N)c1cc(ccc1F)-c1ccc(F)cn1 |r,c:13|
COc1cnc(cn1)-c1ccc(F)c(c1)[C@]1(C)CC[C@](C)(C(N)=N1)S(C)(=O)=O |r,c:24|
C[C@]1(CC[C@](CF)(N=C1N)c1nc(ccc1F)-c1cnc(OCF)cn1)S(C)(=O)=O |r,c:7|
C[C@]1(CC[C@](C)(C(N)=N1)S(=O)(=O)C(F)(F)F)c1cc(ccc1F)-c1cc2OC(F)(F)Oc2cn1 |r,c:7|
C[C@]1(CC[C@](CF)(C(N)=N1)S(C)(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,c:8|
COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(C[C@@H]1F)S(C)(=O)=O |r,t:22|
C[C@]1(CC[C@](C)(C(N)=N1)S(C)(=O)=O)c1nc(cs1)-c1ccc(F)cn1 |r,c:7|
C[C@]1(CCC(F)(F)C(N)=N1)c1cc(ccc1F)-c1cnc(OCF)cn1 |r,c:8|
NC1=N[C@@](CF)(CCC1(F)F)c1cc(ccc1F)-c1cnc(OCF)cn1 |r,t:1|
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(OC(C)(C)C)cc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)N1CCC[C@H]1C(O)=O |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCOCCOCCn1cc(CNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@@]22Oc3ccc(cc3C=C2)[N+]([O-])=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)C(CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@]22CCc3cc(ccc3O2)[N+]([O-])=O)nn1 |r,c:157|
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCCOCCOCCn1cc(CNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@@]22Oc3ccc(cc3C=C2)[N+]([O-])=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)C(CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CCN2c3ccccc3C(C)(C)[C@]22CCc3cc(ccc3O2)[N+]([O-])=O)nn1 |r,c:158|
CC(C)(C)OC(=O)Nc1ccc(O)c(c1)C(=O)NCCCN1CCCCC1
CC1CCCCN1CCCNC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1O
Nc1nc(Cc2ccc3cc[nH]c3c2)cc(=O)[nH]1
Cn1c(N)nc(Cc2ccccc2)cc1=O
Cn1c(N)nc(Cc2ccc3ccccc3c2)cc1=O
Cn1c(N)nc(Cc2ccc3cc[nH]c3c2)cc1=O
CN1C(=O)C[C@@](C)(Cc2ccccc2)N=C1N |r,c:15|
CN1C(=O)C[C@@](C)(CCc2cccc(c2)-c2ccccc2)N=C1N |r,c:23|
COc1nc(N)nc(Nc2ccccc2)c1\N=C\Cc1ccccc1[N+]([O-])=O
COc1nc(N)nc(Nc2ccccc2)c1\N=C\Cc1c(Cl)cccc1Cl
COc1nc(N)nc(Nc2ccccc2)c1\N=C\Cc1ccccc1Cl
COc1nc(N)nc(Nc2ccccc2)c1\N=C\Cc1ccc(C)cc1
COc1nc(N)nc(Nc2ccccc2)c1\N=C\Cc1ccc(cc1)C(F)(F)F
COc1nc(N)nc(Nc2ccccc2)c1\N=C\Cc1ccccc1
Nc1nc2n(c(Cc3ccccc3[N+]([O-])=O)nc2c(=O)[nH]1)-c1ccccc1
Nc1nc2n(c(Cc3ccc(Br)cc3)nc2c(=O)[nH]1)-c1ccccc1
CC#Cc1cncc(c1)-c1ccc2OC[C@@]3(N=C(N)C[C@H]3C(F)(F)F)c2c1 |r,t:17|
CCCCCCCCCCCC1=CC(=O)C=CC1=O |c:15,t:11|
[#6]-[#8]-c1cc(-[#8])cc(-c2cc3ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c3o2)c1-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2cc(oc12)-c1cc(-[#8])cc(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-c2ccc3cc(oc3c2-[#6]=[#6]1)-c1cc(-[#8])cc(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6] |c:20|
CC12CC11Oc3cc(O)ccc3C1CC(C2)c1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-c1cc2ccc(-[#8])cc2o1
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
COc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1OC
C[C@@H]1Cc2cc(C)c(CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c2C1=O |r|
C[C@H]1[C@@H](O)c2cc(C)c(CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c2C1=O |r|
C[C@@H]1[C@@H](O)c2cc(C)c(CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c2C1=O |r|
Cc1cc2[C@H](O)C(C)(C)C(=O)c2c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Oc1cc(O)cc(Oc2cc(O)c(O)c3Oc4cc(Oc5c(O)cc(Oc6c(O)cc(O)c7Oc8cc(O)cc(O)c8Oc67)cc5O)cc(O)c4Oc23)c1
Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)c(c(O)c4Oc23)-c2c(O)cc3Oc4c(O)cc(O)c(Oc5cc(O)cc(O)c5)c4Oc3c2O)c1 |(33.94,-16.93,;32.61,-16.16,;32.6,-14.62,;31.26,-13.85,;31.25,-12.31,;29.93,-14.63,;29.94,-16.16,;28.61,-16.93,;28.61,-18.47,;29.95,-19.24,;31.28,-18.46,;29.95,-20.78,;28.62,-21.55,;28.61,-23.09,;27.28,-20.78,;25.95,-21.55,;24.62,-20.79,;23.29,-21.55,;21.95,-20.79,;20.63,-21.57,;21.95,-19.25,;23.28,-18.47,;23.28,-16.93,;24.62,-19.24,;25.95,-18.46,;27.29,-19.24,;20.61,-18.49,;20.61,-16.94,;21.94,-16.16,;19.27,-16.18,;17.95,-16.94,;16.61,-16.16,;15.27,-16.94,;13.93,-16.18,;13.93,-14.64,;12.61,-16.95,;12.61,-18.49,;11.27,-19.26,;13.94,-19.26,;13.94,-20.8,;12.6,-21.57,;11.28,-20.8,;9.94,-21.57,;8.61,-20.8,;9.94,-23.11,;11.29,-23.88,;11.29,-25.42,;12.61,-23.11,;15.27,-18.49,;16.6,-19.26,;17.94,-18.49,;19.28,-19.26,;19.27,-20.8,;31.28,-16.93,)|
c1cc(c(cc1\C=C\C(=O)O)O)O
c1cc(c(cc1CCO)O)O
COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)\C(=C\C)C1CC(=O)OCCc1ccc(O)c(O)c1 |r,t:4|
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O |r|
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
COc1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccccc2)cc1OC
COc1ccccc1NC(=O)C1CCN(CC1)C(=O)c1ccccc1
COc1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccccc2)cc1
COc1ccc(NCC2CCN(Cc3ccccc3)CC2)cc1OC
COc1ccccc1NCC1CCN(Cc2ccccc2)CC1
COc1ccc(NCC2CCN(Cc3ccccc3)CC2)cc1
O=C(N1Cc2ccc(cc2CC1=O)N1C(=O)c2ccccc2C1=O)c1ccccc1
Cc1cccc(c1)C(=O)N1Cc2ccc(cc2CC1=O)N1C(=O)c2ccccc2C1=O
COc1ccccc1C(=O)N1Cc2ccc(cc2CC1=O)N1C(=O)c2ccccc2C1=O
COc1ccc(cc1)C(=O)N1Cc2ccc(cc2CC1=O)N1C(=O)c2ccccc2C1=O
C\C(=C/C1=CCN(C(=O)CCc2ccccc2)C(=O)C1)N1C(=O)c2ccccc2C1=O |t:3|
COc1cc(\C=C\c2nnc(o2)-c2ccc(Cl)cc2)ccc1O
COc1cc(\C=C\c2nnc(o2)-c2ccc(Cl)cc2Cl)ccc1O
COc1cc(\C=C\c2nnc(o2)-c2ccc(F)cc2)ccc1O
COc1cc(\C=C\c2nnc(o2)-c2ccc(F)cc2F)ccc1O
COc1ccc(\C=C\C(=O)c2cc(I)c(Cl)cc2O)cc1
Oc1cc(Br)c(I)cc1C(=O)\C=C\c1ccc(F)cc1
COc1cc(O)c(cc1I)C(=O)\C=C\c1ccc(F)cc1
COc1ccc(\C=C\C(=O)c2cc(I)c(OC)cc2O)cc1
Oc1c(oc2cc(F)c(I)cc2c1=O)-c1ccc(F)cc1
Oc1c(oc2cc(F)c(I)cc2c1=O)-c1ccc(Cl)cc1
COc1ccc(cc1)-c1oc2cc(OC)c(I)cc2c(=O)c1O
Fc1cccc(c1)-c1cc2cc3c(cc2o1)occ(\C=N\Nc1ccc(cc1)C(F)(F)F)c3=O
FC(F)(F)c1ccc(N\N=C\c2coc3cc4oc(cc4cc3c2=O)-c2cccc(Cl)c2)cc1
COc1ccc(cc1)-c1cc2cc3c(cc2o1)occ(\C=N\Nc1ccc(cc1)C(F)(F)F)c3=O
Fc1cccc(c1)-c1cc2c(ccc3c2occ(\C=N\Nc2ccc(cc2)C(F)(F)F)c3=O)o1
c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O
CCC(=O)CNC(=O)Nc1nc2ccc(cc2s1)-c1oc2c(OC)c(O)c(O)c(OC)c2c(=O)c1O
Brc1ccc(cc1)-c1csc(\C=C\c2ccccc2)n1
COc1ccc(\C=C\c2nc(cs2)-c2ccc(OC)cc2)cc1
CN(CCOCCN1c2ccccc2Sc2ccccc12)C(CCN)C(=O)NCc1ccccc1
CN(CCOCCN1c2ccccc2Sc2ccccc12)C(CCN)C(=O)NCc1ccccc1Cl
CN(CCOCCN1c2ccccc2Sc2ccccc12)C(CCN)C(=O)NCc1ccc(Cl)cc1
CN(CCOCCN1c2ccccc2Sc2ccccc12)C(CCN)C(=O)NCc1ccc(F)cc1
CN(CCOCCn1c2ccccc2c2ccccc12)C(CCN)C(=O)NCc1ccccc1
CN(CC\C=C\c1ccccc1-c1ccc(Cl)cc1Cl)C(CCN)C(=O)NCc1ccccc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccccc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-c2ccccc-12)-[#6](-[#6]-[#6]-[#8])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1
[#6]-[#7](-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1
Clc1ccc(cc1)-c1cc(no1)C(=O)NCCNc1c2CCCCc2nc2cc(Cl)ccc12
Fc1ccc(CN2CCN(CC2)c2ccc(Br)cc2NC(=O)c2cc3ccccc3oc2=N)cc1
FC(F)(F)c1ccc(cc1)-c1nnc(CNC2CCN(Cc3ccccc3)C2)o1
[#6]\[#6](-[#6])=[#6]\[#6](-[#8])-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1c2ccoc2cc2oc(=O)ccc12 |w:4.4|
Fc1ccc(CNC2CCN(CCCOc3cc(=O)oc4cc(ccc34)-c3cccnc3)CC2)cc1F
O=c1cc(OCCCNC2CCN(Cc3ccccc3)CC2)c2ccc(cc2o1)-c1cccnc1
CCCN1CCCCOc2cccc(C[C@H](NC(=O)c3cccc(c3)C1=O)[C@H](O)CNC(C)(C)c1cccc(OC)c1)c2 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCNC(=O)c3cccc(c3)C(=O)N1)c2 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCN(C)C(=O)c3cccc(c3)C(=O)N1)c2 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCN(CCC(F)(F)F)C(=O)c3cccc(c3)C(=O)N1)c2 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCN(CC(C)(C)C)C(=O)c3cccc(c3)C(=O)N1)c2 |r|
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@@H]1Cc2cccc(OCCCCN(CCN(C)C)C(=O)c3cccc(c3)C(=O)N1)c2 |r|
CCCN1CCCCCOc2cccc(C[C@H](NC(=O)c3cccc(c3)C1=O)[C@H](O)CNC(C)(C)c1cccc(OC)c1)c2 |r|
CCCN1CCOc2cccc(C[C@H](NC(=O)c3cccc(c3)C1=O)[C@H](O)CNC(C)(C)c1cccc(OC)c1)c2 |r|
CCCN1CCOCCc2cccc(C[C@H](NC(=O)c3cccc(c3)C1=O)[C@H](O)CNC(C)(C)c1cccc(OC)c1)c2 |r|
CCCN1CCCCc2cccc(C[C@H](NC(=O)c3cccc(c3)C1=O)[C@H](O)CNC(C)(C)c1cccc(OC)c1)c2 |r|
CCCN1CCCCCc2cccc(c2)C[C@H](NC(=O)c3cccc(c3)C1=O)[C@@H](CNC(C)(C)c4cccc(c4)OC)O
O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc([N+](=O)[O-])cc1
O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc([N+](=O)[O-])cc1Cl
O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1cc(Br)cc(Br)c1
N#Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O
O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(Cl)cc1
O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(Br)cc1
O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1cccc(Cl)c1
O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(F)cc1
O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(O)cc1
O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccccc1O
COc1cc(NC(=O)Cn2nc(-c3ccccc3)c(-c3ccccc3)nc2=O)cc(OC)c1OC
COc1cc(NC(=O)Cn2nc(-c3ccccc3)c(-c3ccccc3)nc2=O)cc(OC)c1
O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1cccc([N+](=O)[O-])c1
O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccccc1Cl
O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccccc1[N+](=O)[O-]
N#Cc1cccc(NC(=O)Cn2nc(-c3ccccc3)c(-c3ccccc3)nc2=O)c1
Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O
O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(F)cc1F
COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2
COc1cc2ncnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(Cc4ccccc4)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(c4ccccc4)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(c4ccccn4)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(Cc4ccc(Cl)cc4)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(c4ccc(F)cc4)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(Cc4ccc(F)cc4)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(Cc4ccc(C)cc4)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(C)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(C(C)=O)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(c4ccc(C)cc4)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(c4ccc(Br)cc4)CC3)c2cc1OC
COc1cc2ncnc(N3CCN(c4ccccc4[N+](=O)[O-])CC3)c2cc1OC
CC1c2cc(Oc3ccccc3)ccc2N=C(N)N1CCCC(=O)N(Cc1ccnn1C)C1CCCCC1
c1ccc(CN2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1
FC(F)(F)c1ccc(-c2nnc(NC3CCN(Cc4ccccc4)CC3)o2)cc1
O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc2ccccc2[nH]1
O=C(NCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1)c1c[nH]c2ccccc12
O=C(NCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1c[nH]c2ccccc12
O=C(NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1c[nH]c2ccccc12
COc1cc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)[nH]c2cc1OC
COc1ccc2[nH]c(C(=O)NCCC3CCN(Cc4ccccc4)CC3)cc2c1
O=C(NCCC1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccccc12
COc1ccc2[nH]cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c2c1
CC(=CC[C@H](Cc1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3O)O)OC)O)C(=C)C)C
Cn1c(=O)c2c(nc(S(C)(=O)=O)n2C)n(CC#Cc2cccc(NC(=O)CN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)c2)c1=O