518 SMILES Strings for Transcriptional enhancer factor TEF-1

Compound Name
SMILES String
Cc1ccc(NC(=O)C=C)cc1Nc1ccc(Cl)cc1
Cc1cccc(NC(=O)C=C)c1Oc1ccc(Cl)cc1
FC(F)(F)c1cccc(Oc2cc(NC(=O)C=C)cc3ccccc23)c1
Cc1ccc(NC(=O)C=C)cc1Oc1cncc(c1)C(F)(F)F
Cc1ccc(NC(=O)C=C)cc1Oc1cc(ccn1)C(F)(F)F
COc1ccc(cc1Oc1cc(NC(=O)C=C)ccc1C)C(F)(F)F
Cc1ccc(NC(=O)C=C)cc1Nc1cccc(c1)C(F)(F)F
FC(F)(F)c1ccc(cc1)N1CCCc2ccc(NC(=O)C=C)cc12
CN(c1cccc(c1)C(F)(F)F)c1cc(NC(=O)C=C)ccc1C
FC(F)(F)c1cccc(Nc2cc(NC(=O)C=C)ccc2Br)c1
FC(F)(F)c1cccc(c1)N1CCCc2ccc(NC(=O)C=C)cc12
FC(F)(F)c1ccc2CCCN(c3cccc(NC(=O)C=C)c3)c2c1
NC(=O)\C=C\c1cc(Oc2cccc(c2)C(F)(F)F)cc2ncccc12
Cn1cnc(c1)-c1ccc(NC(=O)C=C)cc1Nc1cccc(c1)C(F)(F)F
Cc1ccc(NC(=O)C=C)cc1Oc1cc(ccc1Br)C(F)(F)F
FC(F)(F)c1cccc(Oc2cc(NC(=O)C=C)c3cccnc3c2)c1
FC(F)(F)c1ccc2N(CCCc2c1)c1cccc(NC(=O)C=C)c1
FC(F)(F)c1cccc(Oc2cc(NC(=O)C=C)cc3ncccc23)c1
Cc1cnc(NC(=O)C=C)cc1Oc1cccc(c1)C(F)(F)F
FC(F)(F)c1ccc(CN2CCC(CC2)NC(=O)C=C)cc1
FC(F)(F)c1cccc(CN2CCC[C@H](C2)NC(=O)C=C)c1 |r|
FC(F)(F)c1cccc(CN2CCC[C@@H](C2)NC(=O)C=C)c1 |r|
FC(F)(F)c1ccccc1CN1CCC(CC1)NC(=O)C=C
FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)C=C
FC(F)(F)c1cccc(CN2CCC(CC2)NC(=O)C=C)c1
FC(F)(F)c1ccc(cc1)C(=O)N1CCC(CC1)NC(=O)C=C
FC(F)(F)c1ccc(CNC2CCN(CC2)C(=O)C=C)cc1
C=CC(=O)NC1CCN(Cc2ccccc2)CC1
FC(F)(F)c1ccc(CN2CC[C@H](C2)NC(=O)C=C)cc1 |r|
FC(F)(F)c1ccc(CN2CC[C@@H](C2)NC(=O)C=C)cc1 |r|
FC(F)(F)c1ccc(NC2CCN(CC2)C(=O)C=C)cc1
FC(F)(F)c1cccc(CN2C[C@H](Cc3ccccc23)NC(=O)C=C)c1 |r|
FC(F)(F)c1cccc(CNC2CCN(CC2)C(=O)C=C)c1
C[C@@H](N1CCC(CC1)NC(=O)C=C)c1ccc(cc1)C(F)(F)F |r|
C[C@H](N1CCC(CC1)NC(=O)C=C)c1ccc(cc1)C(F)(F)F |r|
FC(F)(F)c1ccc(CN[C@H]2CCN(C2)C(=O)C=C)cc1 |r|
FC(F)(F)c1cccc(CN[C@H]2CCN(C2)C(=O)C=C)c1 |r|
C=CC(=O)NC1CCN(CC1)c1cccc2ccccc12
FC(F)(F)c1ccc(O[C@H]2CCC(CC2)NC(=O)C=C)cc1 |r,wD:9.8,(8.1,1.73,;6.77,.95,;7.55,-.38,;6,2.28,;5.44,.18,;5.33,-1.44,;4,-2.21,;2.67,-1.44,;1.33,-2.21,;,-1.44,;,.1,;-1.33,.87,;-2.67,.1,;-2.67,-1.44,;-1.33,-2.21,;-4,.87,;-5.33,.1,;-5.33,-1.44,;-6.67,.87,;-8,.1,;2.67,.1,;4,.87,)|
FC(F)(F)c1ccc(CN2CCC(NC(=O)C=C)c3ccccc23)cc1
FC(F)(F)c1ccc(CN2C[C@H]3[C@@H](C2)C3NC(=O)C=C)cc1 |r|
FC(F)(F)c1ccc(O[C@H]2CCC(CC2)NC(=O)C=C)cc1 |r,wU:9.8,(8.05,1.67,;6.72,.9,;7.49,-.43,;5.95,2.23,;5.38,.13,;5.33,-1.44,;4,-2.21,;2.67,-1.44,;1.33,-2.21,;,-1.44,;-1.33,-2.21,;-2.67,-1.44,;-2.67,.1,;-1.33,.87,;,.1,;-4,.87,;-5.33,.1,;-5.33,-1.44,;-6.67,.87,;-8,.1,;2.67,.1,;4,.87,)|
FC(F)(F)c1cccc(CN2CC(Cc3ccccc23)NC(=O)C=C)c1
FC(F)(F)c1cccc(CN[C@@H]2[C@H]3CN(C[C@@H]23)C(=O)C=C)c1 |r|
CC1(CC[N+](C)(Cc2ccc(cc2)C(F)(F)F)CC1)NC(=O)C=C |(-2.67,1.64,;-2.67,.1,;-2.67,-1.44,;-1.33,-2.21,;,-1.44,;1.33,-.67,;1.33,-2.21,;2.67,-1.44,;4,-2.21,;5.33,-1.44,;5.38,.13,;4,.87,;2.67,.1,;6.72,.9,;8.05,1.67,;7.49,-.43,;5.95,2.23,;,.1,;-1.33,.87,;-4,.87,;-5.33,.1,;-5.33,-1.44,;-6.67,.87,;-8,.1,)|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:23|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:23|
Cc1ccc(cc1Nc1cccc(c1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:23|
Cc1ccc(cc1Nc1cccc(c1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:23|
Cc1ccc(nc1Nc1cccc(c1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:23|
Cc1ccc(nc1Nc1cccc(c1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:23|
Cc1cnc(cc1Oc1cccc(c1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:23|
Cc1cnc(cc1Oc1cccc(c1)C(F)(F)F)C1CC(Br)=NO1 |c:23|
Cc1ccc(cc1Oc1cc(ccn1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:23|
Cc1ccc(cc1Oc1cc(ccn1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:23|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@@H]1CC(Oc2cccnc2)=NO1 |r,c:30|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@H]1CC(Oc2cccnc2)=NO1 |r,c:30|
FC(F)(F)c1cccc(Oc2cccc(c2)[C@H]2CC(Br)=NO2)c1 |r,c:20|
FC(F)(F)c1cccc(Oc2cccc(c2)[C@@H]2CC(Br)=NO2)c1 |r,c:20|
Cc1ccc(nc1Oc1cccc(c1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:23|
Cc1ccc(nc1Oc1cccc(c1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:23|
Cc1ccc(cc1Nc1cncc(c1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:23|
Cc1ccc(cc1Nc1cncc(c1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:23|
FC(F)(F)c1cccc(Oc2cc([C@H]3CC(Br)=NO3)c3cccnc3c2)c1 |r,c:16|
FC(F)(F)c1cccc(Oc2cc([C@@H]3CC(Br)=NO3)c3cccnc3c2)c1 |r,c:16|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@@H]1CC(Cl)=NO1 |r,c:23|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@H]1CC(Cl)=NO1 |r,c:23|
Cc1cc(F)c(cc1Oc1cccc(c1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:24|
Cc1cc(F)c(cc1Oc1cccc(c1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:24|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@@H]1CC(=NO1)n1ccnc1 |r,c:22|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@H]1CC(=NO1)n1ccnc1 |r,c:22|
COc1ccc(cc1Nc1cccc(c1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:24|
COc1ccc(cc1Nc1cccc(c1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:24|
Cc1ccc(cc1Nc1cc(ccn1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:23|
Cc1ccc(cc1Nc1cc(ccn1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:23|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@@H]1CC(Oc2cncnc2)=NO1 |r,c:30|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@H]1CC(Oc2cncnc2)=NO1 |r,c:30|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@@H]1CC(=NO1)n1cncn1 |r,c:22|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@H]1CC(=NO1)n1cncn1 |r,c:22|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@@]1(C)CC(Br)=NO1 |r,c:24|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@]1(C)CC(Br)=NO1 |r,c:24|
FC(F)(F)c1cccc(Oc2cc(cc3ncsc23)[C@@H]2CC(Br)=NO2)c1 |r,c:24|
FC(F)(F)c1cccc(Oc2cc(cc3ncsc23)[C@H]2CC(Br)=NO2)c1 |r,c:24|
CC(=O)NCCSC1=NO[C@H](C1)c1ccc(C)c(Oc2cccc(c2)C(F)(F)F)c1 |r,t:7|
CC(=O)NCCSC1=NO[C@@H](C1)c1ccc(C)c(Oc2cccc(c2)C(F)(F)F)c1 |r,t:7|
FC(F)(F)c1cccc(Oc2cc(cc3ncccc23)[C@@H]2CC(Br)=NO2)c1 |r,c:25|
FC(F)(F)c1cccc(Oc2cc(cc3ncccc23)[C@H]2CC(Br)=NO2)c1 |r,c:25|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@@H]1CC(=NO1)n1nccn1 |r,c:22|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@H]1CC(=NO1)n1nccn1 |r,c:22|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@@H]1CC(=NO1)n1ccnn1 |r,c:22|
Cc1ccc(cc1Oc1cccc(c1)C(F)(F)F)[C@H]1CC(=NO1)n1ccnn1 |r,c:22|
Cc1ncc(cc1Oc1cccc(c1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:23|
Cc1ncc(cc1Oc1cccc(c1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:23|
CNS(=O)(=O)c1ccc(Nc2ccc(cc2)C(F)(F)F)c(c1)[C@H]1CC(Br)=NO1 |r,c:27|
CNS(=O)(=O)c1ccc(Nc2ccc(cc2)C(F)(F)F)c(c1)[C@@H]1CC(Br)=NO1 |r,c:27|
Cc1cnc(cc1Nc1cccc(c1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:23|
Cc1cnc(cc1Nc1cccc(c1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:23|
CC(C)(C)c1ccc(cc1Nc1cccc(c1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:26|
CC(C)(C)c1ccc(cc1Nc1cccc(c1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:26|
CNS(=O)(=O)c1ccc(Nc2cccc(c2)C(F)(F)F)c(c1)[C@@]1(C)CC(Br)=NO1 |r,c:28|
CNS(=O)(=O)c1ccc(Nc2cccc(c2)C(F)(F)F)c(c1)[C@]1(C)CC(Br)=NO1 |r,c:28|
CNS(=O)(=O)c1ccc(NCc2ccccc2)c(c1)[C@@H]1CC(Br)=NO1 |r,c:24|
CNS(=O)(=O)c1ccc(NCc2ccccc2)c(c1)[C@H]1CC(Br)=NO1 |r,c:24|
FC(F)(F)c1ccc(CN2CCC(CC2)[C@H]2CC(Br)=NO2)cc1 |r,c:19|
FC(F)(F)c1ccc(CN2CCC(CC2)[C@@H]2CC(Br)=NO2)cc1 |r,c:19|
FC(F)(F)c1cccc(CN2CCC[C@@H](C2)C2CC(Br)=NO2)c1 |r,c:20|
FC(F)(F)c1cccc(CN2CCC[C@H](C2)C2CC(Br)=NO2)c1 |r,c:20|
FC(F)(F)c1ccc(CC2CC[C@@H](C2)C2CC(Br)=NO2)cc1 |r,c:18|
FC(F)(F)c1ccc(CC2CC[C@H](C2)C2CC(Br)=NO2)cc1 |r,c:18|
FC(F)(F)c1ccc(CN2CCC3(CC(Br)=NO3)CC2)cc1 |c:15|
C[C@]1(CC(Br)=NO1)C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1 |r,c:4|
C[C@@]1(CC(Br)=NO1)C1CCN(Cc2ccc(cc2)C(F)(F)F)CC1 |r,c:4|
C[C@H](N1CCC(CC1)[C@@H]1CC(Br)=NO1)c1ccc(cc1)C(F)(F)F |r,c:12|
C[C@H](N1CCC(CC1)[C@H]1CC(Br)=NO1)c1ccc(cc1)C(F)(F)F |r,c:12|
FC(F)(F)c1ccc(CN2CCC[C@@]3(CC(Br)=NO3)C2)cc1 |r,c:16|
FC(F)(F)c1ccc(CN2CCC[C@]3(CC(Br)=NO3)C2)cc1 |r,c:16|
FC(F)(F)c1ccc(CN2CC[C@@H]3[C@H](C2)[C@H]3NC(=O)C=C)cc1 |r|
BrC1=NO[C@@H](C1)C1CCN(Cc2ccccc2)CC1 |r,t:1|
BrC1=NO[C@H](C1)C1CCN(Cc2ccccc2)CC1 |r,t:1|
FC(F)(F)c1ccc(CN[C@@H]2CCN(C2)C(=O)C=C)cc1 |r|
FC(F)(F)Oc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C=C)cc1 |r|
CC(C)(C)c1ccc(CN2CCC(CC2)[C@@H]2CC(Br)=NO2)cc1 |r,c:19|
CC(C)(C)c1ccc(CN2CCC(CC2)[C@H]2CC(Br)=NO2)cc1 |r,c:19|
FC(F)(F)c1cccc(CN[C@H]2[C@@H]3CCN(C[C@H]23)C(=O)C=C)c1 |r|
FC(F)(F)c1cccc(CN2CCC(CC2)[C@H]2CC(Br)=NO2)c1 |r,c:20|
FC(F)(F)c1cccc(CN2CCC(CC2)[C@@H]2CC(Br)=NO2)c1 |r,c:20|
CC(C)(C)c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C=C)cc1 |r|
C=CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(cc3)-c3ccccc3)C[C@@H]12 |r|
FC(F)(F)c1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C=C)c1 |r|
CC(=C)C(=O)NC1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
C=CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(cc3)C#N)C[C@@H]12 |r|
FC(F)(F)Sc1ccc(CN2CCC(CC2)[C@H]2CC(Br)=NO2)cc1 |r,c:20|
FC(F)(F)Sc1ccc(CN2CCC(CC2)[C@@H]2CC(Br)=NO2)cc1 |r,c:20|
Clc1ccc(CN2CCC(CC2)[C@H]2CC(Br)=NO2)cc1 |r,c:16|
Clc1ccc(CN2CCC(CC2)[C@@H]2CC(Br)=NO2)cc1 |r,c:16|
Clc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C=C)cc1 |r|
CC[C@@H](N1CCC(CC1)NC(=O)C=C)c1ccc(cc1)C(F)(F)F |r|
CC[C@H](N1CCC(CC1)NC(=O)C=C)c1ccc(cc1)C(F)(F)F |r|
FC(F)(F)Sc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C=C)cc1 |r|
BrC1=NO[C@H](C1)C1CCN(Cc2ccc(cc2)C2CC2)CC1 |r,t:1|
FC(F)(F)c1ccc(cc1)C1(CC1)N1CCC(CC1)NC(=O)C=C
Cn1cnc(c1)-c1cc(ccc1Nc1cccc(c1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:29|
Cn1cnc(c1)-c1cc(ccc1Nc1cccc(c1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:29|
CC(N1C[C@H]2[C@@H](C1)[C@H]2NC(=O)C=C)c1ccc(cc1)C(F)(F)F |r|
CC(N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C=C)c1ccc(cc1)C(F)(F)F |r|
FC(F)(F)c1ccc(CN2CC[C@@H]3CCN(C[C@H]23)C(=O)C=C)cc1 |r|
FC(F)(F)c1ccc(CN2CC[C@H]3CCN(C[C@@H]23)C(=O)C=C)cc1 |r|
FC(F)(F)c1cccc(CN2CC[C@@H]3CCN(C[C@H]23)C(=O)C=C)c1 |r|
FC(F)(F)c1cccc(CN2CC[C@H]3CCN(C[C@@H]23)C(=O)C=C)c1 |r|
FC(F)(F)S(=O)(=O)c1ccc(CN2CCC(CC2)NC(=O)C=C)cc1
BrC1=NOC(C1)[C@H]1CCN(Cc2ccccc2)C1 |r,t:1|
BrC1=NOC(C1)[C@@H]1CCN(Cc2ccccc2)C1 |r,t:1|
FC(F)(F)c1cccc(CN2CC[C@H](C2)C2CC(Br)=NO2)c1 |r,c:19|
FC(F)(F)c1cccc(CN2CC[C@@H](C2)C2CC(Br)=NO2)c1 |r,c:19|
CN(C)C\C=C\C(=O)NC1CCN(Cc2ccc(cc2)C(F)(F)F)CC1
CNC(=O)[C@@H]1C[C@H](CCN1Cc1ccc(cc1)C(F)(F)F)NC(=O)C=C |r|
FC(F)(F)c1ccc(CN2CCC[C@H]3CN(C[C@@H]23)C(=O)C=C)cc1 |r|
FC(F)(F)c1ccc(CN2CCC[C@@H]3CN(C[C@H]23)C(=O)C=C)cc1 |r|
C=CC(=O)NC1CCN(Cc2ccc(cc2)C#C)CC1
FC(F)(F)S(=O)(=O)c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C=C)cc1 |r|
Cn1cnc(c1)-c1ccc(cc1Nc1cccc(c1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:29|
Cn1cnc(c1)-c1ccc(cc1Nc1cccc(c1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:29|
CNC(=O)[C@H]1C[C@@H](CCN1Cc1ccc(cc1)C(F)(F)F)NC(=O)C=C |r|
CN(C)C(=O)[C@H]1C[C@@H](CCN1Cc1ccc(cc1)C(F)(F)F)NC(=O)C=C |r|
FC(F)(F)c1cccc(CN2C[C@@H](Cc3ccccc23)[C@@H]2CC(Br)=NO2)c1 |r,c:25|
FC(F)(F)c1cccc(CN2C[C@@H](Cc3ccccc23)[C@H]2CC(Br)=NO2)c1 |r,c:25|
FC(F)(F)c1cccc(CN2C[C@H](Cc3ccccc23)[C@@H]2CC(Br)=NO2)c1 |r,c:25|
FC(F)(F)c1cccc(CN2C[C@H](Cc3ccccc23)[C@H]2CC(Br)=NO2)c1 |r,c:25|
C[C@@H](N1CC[C@H](C1)C1CC(Br)=NO1)c1ccc(cc1)C(F)(F)F |r,c:11|
C[C@H](N1CC[C@H](C1)C1CC(Br)=NO1)c1ccc(cc1)C(F)(F)F |r,c:11|
C[C@H](N1CC[C@@H](C1)C1CC(Br)=NO1)c1ccc(cc1)C(F)(F)F |r,c:11|
C[C@@H](N1CC[C@@H](C1)C1CC(Br)=NO1)c1ccc(cc1)C(F)(F)F |r,c:11|
Cc1ccc(CN2CCC(CC2)[C@H]2CC(Br)=NO2)cc1 |r,c:16|
Cc1ccccc1CN1CCC(CC1)[C@H]1CC(Br)=NO1 |r,c:19|
FC(F)(F)c1ccccc1CN1CCC(CC1)[C@H]1CC(Br)=NO1 |r,c:22|
FC(F)(F)c1ccc(CN[C@H]2CCCN(C2)C(=O)C=C)cc1 |r|
FC(F)(F)c1cccc(CN[C@H]2CCCN(C2)C(=O)C=C)c1 |r|
FC(F)c1ccc(CN2CCC(CC2)[C@H]2CC(Br)=NO2)cc1 |r,c:18|
FC(F)(F)c1ccc(CN2CCC(CC2)[C@H]2CC(Br)=NO2)nc1 |r,c:19|
FC(F)(F)S(=O)(=O)c1ccc(CN2CCC(CC2)[C@H]2CC(Br)=NO2)cc1 |r,c:22|
FC(F)(F)c1ccc(CN[C@@H]2CCCN(C2)C(=O)C=C)cc1 |r|
FC(F)(F)c1cccc(CN[C@@H]2CCCN(C2)C(=O)C=C)c1 |r|
Cc1cc(ccc1CN1CCC(CC1)[C@H]1CC(Br)=NO1)C(F)(F)F |r,c:19|
CN(C)C(=O)[C@@H]1CC(CCN1Cc1ccc(cc1)C(F)(F)F)NC(=O)C=C |r|
CN(C)C(=O)[C@H]1CC(CCN1Cc1ccc(cc1)C(F)(F)F)NC(=O)C=C |r|
FC(F)(F)c1cccc(CN2CCC[C@@H]3CN(C[C@H]23)C(=O)C=C)c1 |r|
FC(F)(F)c1cccc(CN2CCC[C@H]3CN(C[C@@H]23)C(=O)C=C)c1 |r|
FC(F)(F)c1ccc(CN2CCC(CC2)[C@H]2CC(Br)=NO2)cn1 |r,c:19|
BrC1=NO[C@H](C1)C1CCN(Cc2cccc3ncsc23)CC1 |r,t:1|
CN(C)c1ccc(CN2CCC(CC2)[C@H]2CC(Br)=NO2)cc1 |r,c:18|
BrC1=NO[C@H](C1)C1CCN(Cc2ccc(cc2)C#C)CC1 |r,t:1|
CN(C)C(=O)[C@@H]1C[C@H](CCN1Cc1ccc(cc1)C(F)(F)F)NC(=O)C=C |r|
C[C@@H](NC1CCN(CC1)C(=O)C=C)c1ccc(cc1)C(F)(F)F |r|
C[C@H](NC1CCN(CC1)C(=O)C=C)c1ccc(cc1)C(F)(F)F |r|
CNC(=O)[C@@H]1CC(CCN1Cc1ccc(cc1)C(F)(F)F)NC(=O)C=C |r|
CNC(=O)[C@H]1CC(CCN1Cc1ccc(cc1)C(F)(F)F)NC(=O)C=C |r|
BrC1=NO[C@H](C1)C1CCN(Cc2ccc3scnc3c2)CC1 |r,t:1|
BrC1=NO[C@H](C1)C1CCN(Cc2ccc3ncsc3c2)CC1 |r,t:1|
Cn1cnc2cc(CN3CCC(CC3)[C@H]3CC(Br)=NO3)ccc12 |r,c:18|
Cn1cnc2ccc(CN3CCC(CC3)[C@H]3CC(Br)=NO3)cc12 |r,c:19|
NC(=O)C(N1CCC(CC1)[C@H]1CC(Br)=NO1)c1ccc(cc1)C(F)(F)F |r,c:14|
NC(=O)C(N1CCC(CC1)[C@@H]1CC(Br)=NO1)c1ccc(cc1)C(F)(F)F |r,c:14|
CNC(=O)C(N1CCC(CC1)[C@@H]1CC(Br)=NO1)c1ccc(cc1)C(F)(F)F |r,c:15|
CNC(=O)C(N1CCC(CC1)[C@H]1CC(Br)=NO1)c1ccc(cc1)C(F)(F)F |r,c:15|
CN(C)C(=O)C(N1CCC(CC1)[C@H]1CC(Br)=NO1)c1ccc(cc1)C(F)(F)F |r,c:16|
CN(C)C(=O)C(N1CCC(CC1)[C@@H]1CC(Br)=NO1)c1ccc(cc1)C(F)(F)F |r,c:16|
CC(N1CCC[C@H](C1)[C@@H]1CC(Br)=NO1)c1cccc(c1)C(F)(F)F |r,c:12|
CC(N1CCC[C@@H](C1)[C@@H]1CC(Br)=NO1)c1cccc(c1)C(F)(F)F |r,c:12|
FC(F)(F)C(F)(F)c1ccc(CN2CCC(CC2)[C@H]2CC(Br)=NO2)cc1 |r,c:22|
Cc1ccc(cc1Nc1ccc(cn1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:23|
Cc1ccc(cc1Nc1ccc(cn1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:23|
Cc1ccc(cc1Oc1ccc(cc1)C#C)[C@H]1CC(Br)=NO1 |r,c:21|
Cc1ccc(cc1Oc1ccc(cc1)C#C)[C@@H]1CC(Br)=NO1 |r,c:21|
CC(N1CCC(CC1)[C@@H]1CC(Br)=NO1)c1ccc(cc1)C(F)(F)F |r,c:12|
CC(N1CCC(CC1)[C@H]1CC(Br)=NO1)c1ccc(cc1)C(F)(F)F |r,c:12|
FC(F)(F)c1cccc(CN[C@@H]2CCN(C2)C(=O)C=C)c1 |r|
FC(F)(F)Sc1ccc(CN2CCC(CC2)NC(=O)C=C)cc1
FC(F)(F)Oc1ccc(CN2CCC(CC2)NC(=O)C=C)cc1
C=CC(=O)NC1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
CC(C)c1ccc(cc1Nc1cccc(c1)C(F)(F)F)[C@H]1CC(Br)=NO1 |r,c:25|
CC(C)c1ccc(cc1Nc1cccc(c1)C(F)(F)F)[C@@H]1CC(Br)=NO1 |r,c:25|
C=CC(=O)NC1CCN(Cc2ccc(cc2)C#N)CC1
Clc1ccc(CN2CCC(CC2)NC(=O)C=C)cc1
CC(C)(C)c1ccc(CN2CCC(CC2)NC(=O)C=C)cc1
C=CC(=O)NC1CCN(Cc2ccc(cc2)C2CC2)CC1
FC(F)(F)Oc1ccc(CN2CCC(CC2)[C@H]2CC(Br)=NO2)cc1 |r,c:20|
FC(F)(F)Oc1ccc(CN2CCC(CC2)[C@@H]2CC(Br)=NO2)cc1 |r,c:20|
BrC1=NO[C@@H](C1)C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1 |r,t:1|
BrC1=NO[C@H](C1)C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1 |r,t:1|
CC(C)c1ccc(cc1)-c1cc(NCC(=C)C(O)=O)cc2CCOc12
CC(C)c1ccc(cc1)-c1cc(NCC(=C)C(N)=O)cc2CCOc12
CC(C)c1ccc(cc1)-c1cc(NCC(=C)C(O)=O)c(C#N)c2CCOc12
CC(C)c1ccc(cc1)-c1cc(NCC(=C)C(N)=O)c(C#N)c2CCOc12
CNC(=O)C(=C)CNc1cc(c2OCCc2c1C#N)-c1ccc(cc1)C(C)C
CC(C)c1ccc(cc1)-c1cc(NCC(=C)C(=O)N(C)C)c(C#N)c2CCOc12
CC(C)c1ccc(cc1)-c1cc(N(C)CC(=C)C(O)=O)c(C#N)c2CCOc12
COC(=O)C(=C)CNc1cc(c2OCCc2c1C#N)-c1ccc(cc1)C(C)C
CC(C)c1ccc(cc1)-c1cc(NCC(=C)C(=O)NO)c(C#N)c2CCOc12
CC(C)c1ccc(cc1)-c1cc(NCC(=C)B(O)O)c(C#N)c2CCOc12
CC(C)c1ccc(cc1)-c1cc(NCC(=C)C(C)=O)c(C#N)c2CCOc12
CC(C)c1ccc(cc1)-c1cc(NCC(=C)C(O)=O)c(CO)c2CCOc12
CC(C)c1ccc(cc1)-c1cc(NCC(=C)C(N)=O)c(CO)c2CCOc12
CC(C)c1ccc(cc1)-c1cc(NCC(=C)C(=O)NO)c(CO)c2CCOc12
OC(=O)C(=C)CNc1cc(c2OCCc2c1C#N)-c1ccc(cc1)C(F)(F)F
C[C@@H](c1ccc(cc1)-c1cc(NCC(=C)C(O)=O)c(C#N)c2CCOc12)C(F)(F)F |r|
C[C@H](c1ccc(cc1)-c1cc(NCC(=C)C(O)=O)c(C#N)c2CCOc12)C(F)(F)F |r|
OC(=O)C(=C)CNc1cc(c2OCCc2c1C#N)-c1ccc(OC(F)(F)F)cc1
CC(F)(F)c1ccc(cc1)-c1cc(NCC(=C)C(O)=O)c(C#N)c2CCOc12
CC(C)c1ccc(cc1)-c1nc(NCC(=C)C(O)=O)nc2CCOc12
CC(C)c1ccc(cc1)-c1cc(NCC(=C)C(O)=O)c(F)c2CCOc12
CC(C)c1ccc(cc1)-c1nc(NCC(=C)C(O)=O)c(C#N)c2CCOc12
CC(F)(F)c1ccc(cc1)-c1cc(NCC(=C)C(O)=O)c(C#N)c2scnc12
COc1ncc(NCC(=C)C(O)=O)cc1\C=C\[C@H]1CC[C@@H](CC1)C(F)(F)F |r,wU:17.17,wD:20.24,(3.33,3.85,;2,4.62,;.67,3.85,;-.67,4.62,;-2,3.85,;-2,2.31,;-3.33,1.54,;-4.67,2.31,;-6,1.54,;-6,,;-7.34,2.31,;-8.67,1.54,;-7.34,3.85,;-.67,1.54,;.67,2.31,;2,1.54,;2,,;3.33,-.77,;4.67,,;6,-.77,;6,-2.31,;4.67,-3.08,;3.33,-2.31,;7.34,-3.08,;8.67,-2.31,;7.34,-4.62,;8.67,-3.85,)|
OC(=O)C(=C)CNc1cnc(C#N)c(\C=C\[C@H]2CC[C@@H](CC2)C(F)(F)F)c1 |r,wU:16.15,wD:19.22,(-8.67,1.15,;-7.34,1.93,;-7.34,3.47,;-6,1.15,;-6,-.38,;-4.67,1.93,;-3.33,1.15,;-2,1.93,;-2,3.47,;-.67,4.23,;.67,3.47,;2,4.23,;3.33,5,;.67,1.93,;2,1.15,;2,-.38,;3.33,-1.15,;4.67,-.38,;6,-1.15,;6,-2.69,;4.67,-3.47,;3.33,-2.69,;7.34,-3.47,;8.67,-2.69,;7.34,-5,;8.67,-4.23,;-.67,1.15,)|
CC(C)c1cc(F)c(c(F)c1)-c1cc(NCC(=C)C(O)=O)c(C#N)c2CCOc12 |(8,-1.99,;6.67,-2.76,;6.67,-4.3,;5.33,-1.99,;5.33,-.45,;4,.32,;4,1.86,;2.67,-.45,;2.67,-1.99,;1.33,-2.76,;4,-2.76,;1.33,.32,;,-.45,;-1.33,.32,;-2.67,-.45,;-4,.32,;-5.33,-.45,;-5.33,-1.99,;-6.67,.32,;-8,-.45,;-6.67,1.86,;-1.33,1.86,;-2.67,2.63,;-4,3.4,;,2.63,;.32,4.14,;1.85,4.3,;2.48,2.89,;1.33,1.86,)|
CC(C)c1ccc(c(F)c1)-c1cc(NCC(=C)C(O)=O)c(C#N)c2CCOc12
CC(C)c1ccc(cc1)-c1cc(NCC(=C)C(O)=O)c(C(N)=O)c2CCOc12
NC(=O)C(=C)CNc1cc(-c2ccc(OC(F)(F)F)cc2)c2ncsc2c1C#N
CC(C)c1ccc(nc1)-c1cc(NCC(=C)C(O)=O)c(C#N)c2CCOc12
CC(C)c1ccc(cc1)-c1cc(NCC(=C)C(O)=O)c(c2CCOc12)S(C)(=O)=O
CC(C)c1cnc(s1)-c1cc(NCC(=C)C(=O)NO)c(C#N)c2CCOc12
CC(C)c1csc(n1)-c1cc(NCC(=C)C(=O)NO)c(C#N)c2CCOc12
CC(C)c1csc(c1)-c1cc(NCC(=C)C(O)=O)c(C#N)c2CCOc12
NC(=O)C(=C)CNc1cc(c2OCCc2c1CO)-c1ccc(OC(F)(F)F)cc1
CC(C)c1ccn(n1)-c1cc(NCC(=C)C(=O)NO)c(C#N)c2CCOc12
ONC(=O)C(=C)CNc1cc(c2OCCc2c1C#N)-c1ccc(OC(F)(F)F)cc1
ONC(=O)C(=C)CNc1cc(c2OCCc2c1C#N)-c1ccc(cc1)S(F)(F)(F)(F)F
ONC(=O)C(=C)CNc1cc(-c2ccc(OC(F)(F)F)cc2)c2ncsc2c1C#N
CN(O)C(=O)C(=C)CNc1cc(c2OCCc2c1C#N)-c1ccc(OC(F)(F)F)cc1
NC(=O)C(=C)CNc1cc(c2OCCc2c1C#N)-c1ccc(OC(F)(F)F)cc1
OC(=O)C(=C)CNc1cc(c2OCCc2c1C#N)-c1ccc(cc1)S(F)(F)(F)(F)F
OCc1c2CCOc2c(cc1NCC(=C)C(=O)NO)-c1ccc(OC(F)(F)F)cc1
NC(=O)C(=C)CNc1cc(c2OCCc2c1C#N)-c1ccc(cc1)S(F)(F)(F)(F)F
CC(C)c1cnc(s1)-c1cc(NCC(=C)C(O)=O)c(C#N)c2CCOc12
ONC(=O)C(=C)CNc1cc(-c2ccc(cc2)S(F)(F)(F)(F)F)c2ncsc2c1C#N
FC(F)(F)Oc1ccc(cc1)-n1nc(CNC(=O)C=C)c2ccccc12
FC(F)(F)Oc1ccc(cc1)-n1nc(CNC(=O)CCl)c2ccccc12
FS(F)(F)(F)(F)c1ccc(cc1)-n1nc(CNC(=O)C=C)c2ccccc12
OCc1cccc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
OCc1cccc2n(nc(CNC(=O)C=C)c12)-c1ccc(cc1)S(F)(F)(F)(F)F
OC[C@H](O)c1cccc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OC[C@@H](O)c1cccc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OC[C@H](O)c1cccc2n(nc(CNC(=O)C=C)c12)-c1ccc(cc1)S(F)(F)(F)(F)F |r|
OC[C@@H](O)c1cccc2n(nc(CNC(=O)C=C)c12)-c1ccc(cc1)S(F)(F)(F)(F)F |r|
FS(F)(F)(F)(F)c1ccc(cc1)-n1nc(CNC(=O)C=C)c2cccnc12
FS(F)(F)(F)(F)c1ccc(cc1)-n1nc(CNC(=O)C=C)c2ncccc12
FS(F)(F)(F)(F)c1ccc(cc1)-n1nc(CNC(=O)C=C)c2c(cccc12)C#N
OC[C@H](O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OC[C@@H](O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
CN(Cc1nn(-c2ccc(OC(F)(F)F)cc2)c2ccccc12)C(=O)C=C
CN(Cc2nn(c1ccc(OC(F)(F)F)cc1)c3ccccc23)C(=O)CCl
OCc1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
OC[C@H](O)c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
CC(=C)C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12
OC[C@@H](O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(cc1)S(F)(F)(F)(F)F |r|
OCC(=O)Nc1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
OCCNC(=O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
OC[C@H](O)c1ccnc2n(nc(CNC(=O)\C=C/Cl)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OC[C@H](O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(cc1)S(F)(F)(F)(F)F |r|
OCCn1cc(cn1)-c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
FC(=C)C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(-n3cnnc3)c12
CNC(=O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
OC[C@@H](O)c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OCc1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
O[C@H]1CCCN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
O[C@H]1C[C@H](C1)Oc1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r,wU:3.5,1.0,(6.13,7.01,;4.8,6.24,;4.4,4.76,;2.91,5.15,;3.31,6.64,;1.58,4.38,;1.58,2.84,;2.91,2.07,;2.91,.53,;1.58,-.24,;.25,.53,;-1.22,.06,;-2.12,1.3,;-1.22,2.55,;-1.69,4.02,;-3.2,4.34,;-3.68,5.8,;-2.65,6.94,;-5.18,6.12,;-5.66,7.58,;.25,2.07,;-1.69,-1.41,;-3.2,-1.73,;-3.68,-3.19,;-2.65,-4.34,;-3.12,-5.8,;-4.63,-6.12,;-5.66,-4.98,;-5.1,-7.58,;-6.13,-6.44,;-1.14,-4.02,;-.66,-2.55,)|
OCCn1cc(cn1)-c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
OCCNc1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
OCc1ccnc2n(nc(CNC(=O)\C=C\Cl)c12)-c1ccc(OC(F)(F)F)cc1
O[C@H]1C[C@H](C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r,wU:3.5,1.0,(-7.01,3.49,;-5.5,3.17,;-4.21,4,;-3.37,2.71,;-4.66,1.87,;-1.86,2.39,;-.83,3.54,;.67,3.22,;1.15,1.75,;.12,.61,;.28,-.92,;-1.13,-1.55,;-2.16,-.41,;-3.69,-.57,;-4.59,.68,;-6.12,.52,;-7.03,1.76,;-6.75,-.89,;-8.28,-1.05,;-1.39,.93,;1.61,-1.69,;1.61,-3.23,;2.95,-4,;4.28,-3.23,;5.62,-4,;6.95,-3.23,;8.28,-4,;6.95,-1.69,;8.28,-2.46,;4.28,-1.69,;2.95,-.92,)|
OCC1(F)CN(C1)c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
COC\C=C\C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12
FC(=C)C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(N3CC4(CNC4)C3)c12
OCC(=O)Nc1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
OCC1CN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
FC(F)(F)Oc1ccc(cc1)-n1nc(CNC(=O)C=C)c2c(ccnc12)-c1nc[nH]n1
CN(C)CCn1cc(cn1)-c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
O[C@H]1CCN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
O[C@@H]1CCN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
FC(F)(F)Oc1ccc(cc1)-n1nc(C2CN(C2)C(=O)C=C)c2c(ccnc12)C#C
OCc1ccnc2n(nc(CNC(=O)C(Cl)=C)c12)-c1ccc(OC(F)(F)F)cc1
OC\C=C\C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(-c3cn[nH]c3)c12
FC(F)(F)Oc1ccc(cc1)-n1nc(CNC(=O)C=C)c2c(ccnc12)-c1c[nH]nn1
FC(F)(F)Oc1ccc(cc1)-n1nc(CNC(=O)C=C)c2c(ccnc12)N1CC(C1)C#N
OC[C@@H](O)c1ccnc2n(nc(CNC(=O)\C=C/Cl)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OC1CN(Cc2ccnc3n(nc(CNC(=O)C=C)c23)-c2ccc(OC(F)(F)F)cc2)C1
CN(Cc1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12)C(=O)C=C
O[C@H]1C[C@@H](C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r,wU:1.0,wD:3.5,(-7.01,3.49,;-5.5,3.17,;-4.21,4,;-3.37,2.71,;-4.66,1.87,;-1.86,2.39,;-.83,3.54,;.67,3.22,;1.15,1.75,;.12,.61,;.28,-.92,;-1.13,-1.55,;-2.16,-.41,;-3.69,-.57,;-4.59,.68,;-6.12,.52,;-7.03,1.76,;-6.75,-.89,;-8.28,-1.05,;-1.39,.93,;1.61,-1.69,;1.61,-3.23,;2.95,-4,;4.28,-3.23,;5.62,-4,;6.95,-3.23,;8.28,-4,;6.95,-1.69,;8.28,-2.46,;4.28,-1.69,;2.95,-.92,)|
NC(=O)C1(F)CN(C1)c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
OC[C@H](O)C1CN(C1)c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OC[C@@H](O)c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(cc1)S(F)(F)(F)(F)F |r|
OC[C@H](O)c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(cc1)S(F)(F)(F)(F)F |r|
C\C=C\C(=O)NCc1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12
C[C@@H](O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
C[C@H](O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
FC(=C)C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(-n3ccnc3)c12
O[C@@H]1CCCN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
C[C@@H](O)\C=C\C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12 |r|
O[C@H]1C[C@@H](C1)Oc1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r,wU:1.0,wD:3.5,(6.13,6.96,;4.8,6.19,;4.4,4.71,;2.91,5.1,;3.31,6.59,;1.58,4.33,;1.58,2.79,;2.91,2.02,;2.91,.48,;1.58,-.29,;.25,.48,;-1.22,.01,;-2.12,1.25,;-1.22,2.5,;-1.69,3.96,;-3.2,4.28,;-3.68,5.75,;-2.59,6.84,;-5.16,6.15,;-5.56,7.64,;.25,2.02,;-1.69,-1.46,;-3.2,-1.78,;-3.68,-3.24,;-2.65,-4.39,;-3.12,-5.85,;-4.63,-6.17,;-5.66,-5.03,;-6.13,-6.49,;-5.1,-7.64,;-1.14,-4.07,;-.66,-2.6,)|
OCc1ccnc2n(nc(CNC(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
OCc1ccnc2n(nc(CNC(=O)\C=C\C(F)F)c12)-c1ccc(OC(F)(F)F)cc1
OC\C=C\C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(N3CC(O)C3)c12
CC#CC(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc([C@@H](O)CO)c12 |r|
OC[C@@H](O)c1ccnc2n(nc(C3CN(C3)C(=O)C3=CCC3)c12)-c1ccc(OC(F)(F)F)cc1 |r,t:19|
OC[C@@H](O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1cccc(OC(F)(F)F)c1 |r|
CC1(O)CN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
OCC1(O)CN(C1)c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
OC1CC2(C1)CN(C2)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
Nc1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
OC1CN(C1)c1nccc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
OC\C=C\C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(C#N)c12
FC(=C)C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(C#N)c12
OC1CN(C1)c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
O[C@H]1CCN(C1=O)c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
FC(F)(F)Oc1ccc(cc1)-n1nc(CNC(=O)C=C)c2c(ccnc12)-c1cc[nH]n1
FC1CN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
O[C@H]1C[C@@H](C1)Nc1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r,wU:3.5,wD:1.0,(5.55,8.1,;4.46,7.01,;2.92,7.01,;2.92,5.47,;4.46,5.47,;1.59,4.7,;1.59,3.16,;2.92,2.39,;2.92,.85,;1.59,.08,;.26,.85,;-1.21,.37,;-2.11,1.62,;-1.21,2.86,;-1.68,4.33,;-3.19,4.65,;-3.67,6.11,;-2.58,7.2,;-5.15,6.51,;-5.55,8,;.26,2.39,;-1.68,-1.09,;-.65,-2.24,;-1.13,-3.7,;-2.64,-4.02,;-3.11,-5.49,;-2.08,-6.63,;-.58,-6.31,;-1.05,-7.78,;-2.56,-8.1,;-3.67,-2.88,;-3.19,-1.41,)|
OCc1ccnc2n(nc(CNC(=O)C#C)c12)-c1ccc(OC(F)(F)F)cc1
OCc1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(cc1)S(F)(F)(F)(F)F
OC[C@H](O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(cc1)C(F)(F)F |r|
OCc1ccnc2n(nc(C3CN(C3)C(=O)C3=CCC3)c12)-c1ccc(OC(F)(F)F)cc1 |t:17|
CN([C@H]1C[C@H](O)C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r,wU:2.1,wD:4.4,(.26,5.47,;1.59,4.7,;2.92,5.47,;2.92,7.01,;4.46,7.01,;5.55,8.1,;4.46,5.47,;1.59,3.16,;2.92,2.39,;2.92,.85,;1.59,.08,;.26,.85,;-1.21,.37,;-2.11,1.62,;-1.21,2.86,;-1.68,4.33,;-3.19,4.65,;-3.67,6.11,;-2.58,7.2,;-5.15,6.51,;-5.55,8,;.26,2.39,;-1.68,-1.09,;-.65,-2.24,;-1.13,-3.7,;-2.64,-4.02,;-3.11,-5.49,;-2.08,-6.63,;-.58,-6.31,;-1.05,-7.78,;-2.56,-8.1,;-3.67,-2.88,;-3.19,-1.41,)|
OC1CCN(CC1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
NC1CN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
CN(Cc1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc([C@@H](O)CO)c12)C(=O)C=C |r|
OC\C=C\C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12
OC\C=C\C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc([C@@H](O)CO)c12 |r|
Cc1ccnc2n(nc(C3CN(C3)C(=O)\C=C\CO)c12)-c1ccc(OC(F)(F)F)cc1
C[C@H](O)\C=C\C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12 |r|
CC#CC(=O)NCc1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12
OCc1ccnc2n(nc(CNC(=O)\C=C/Cl)c12)-c1ccc(OC(F)(F)F)cc1
OC[C@@H](O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(cc1)C(F)(F)F |r|
CN(CCO)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
OCc1ccnc2n(nc(C3CN(C3)C(=O)\C=C\Cl)c12)-c1ccc(OC(F)(F)F)cc1
OC\C=C\C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2ccnc(N3CC(O)C3)c12
NC(=O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
CN(C)Cc1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
OC1CN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
CN(C)C1CN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
OC\C=C\C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc([C@H](O)CO)c12 |r|
OC[C@@H](O)c1ccnc2n(nc(C3CN(C3)C(=O)C(Cl)=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OC[C@H](O)c1ccnc2n(nc(C3CN(C3)C(=O)C(Cl)=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OCc1ccnc2n(nc(C3CN(C3)C(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
OC[C@@H](O)c1ccnc2n(nc(C3CN(C3)C(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OC[C@H](O)c1ccnc2n(nc(C3CN(C3)C(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OC[C@H](O)c1ccnc2n(nc(C3CN(C3)C(=O)C3=CCC3)c12)-c1ccc(OC(F)(F)F)cc1 |r,t:19|
CC(=O)NC1CN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
CN([C@@H]1C[C@H](O)C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r,wD:2.1,4.4,(.26,5.47,;1.59,4.7,;2.92,5.47,;2.92,7.01,;4.46,7.01,;5.55,8.1,;4.46,5.47,;1.59,3.16,;2.92,2.39,;2.92,.85,;1.59,.08,;.26,.85,;-1.21,.37,;-2.11,1.62,;-1.21,2.86,;-1.68,4.33,;-3.19,4.65,;-3.67,6.11,;-2.58,7.2,;-5.15,6.51,;-5.55,8,;.26,2.39,;-1.68,-1.09,;-.65,-2.24,;-1.13,-3.7,;-2.64,-4.02,;-3.11,-5.49,;-2.08,-6.63,;-.58,-6.31,;-1.05,-7.78,;-2.56,-8.1,;-3.67,-2.88,;-3.19,-1.41,)|
COC1CN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
FC(F)(F)Oc1ccc(cc1)-n1nc(CNC(=O)C=C)c2c(ccnc12)-c1c[nH]cn1
C\C=C\C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12
OCc1ccnc2n(nc(CNC(=O)\C=C\CF)c12)-c1ccc(OC(F)(F)F)cc1
CNC1CN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
C[C@@H](O)C1CN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OCC1(O)CN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
O[C@@H]1CCN(C1=O)c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OCCOc1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
OC\C=C\C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(Cl)c12
OCC#CC(=O)NCc1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12
CC#CC(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc([C@H](O)CO)c12 |r|
FC(=C)C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(-c3c[nH]cn3)c12
OC[C@H](O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1cccc(OC(F)(F)F)c1 |r|
OCc1ccnc2n(nc(CNC(=O)\C=C\C(F)(F)F)c12)-c1ccc(OC(F)(F)F)cc1
FC(=C)C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(C3CNC3)c12
FC(F)(F)Oc1ccc(cc1)-n1nc(CNC(=O)C=C)c2c(ccnc12)-c1cn[nH]c1
CC(C)(O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
CC(C)(O)C1CN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
OC1CN(C1)c1nccc2n(nc(C3CN(C3)C(=O)\C=C\CF)c12)-c1ccc(OC(F)(F)F)cc1
C[C@H](O)C1CN(C1)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
CN(Cc1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc([C@H](O)CO)c12)C(=O)C=C |r|
OCc1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)F)cc1
OC[C@@H](O)C1CN(C1)c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OCC1(CO)CN(C1)c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
O[C@H]1C[C@H](C1)Nc1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r,wD:3.5,1.0,(5.43,8.26,;4.34,7.17,;2.8,7.17,;2.8,5.63,;4.34,5.63,;1.71,4.54,;1.71,3,;3.05,2.23,;3.05,.69,;1.71,-.08,;.38,.69,;-1.09,.21,;-1.99,1.46,;-1.09,2.7,;-1.56,4.17,;-3.07,4.49,;-3.54,5.95,;-2.46,7.04,;-5.03,6.35,;-5.43,7.84,;.38,2.23,;-1.56,-1.25,;-.53,-2.4,;-1.01,-3.86,;-2.51,-4.18,;-2.99,-5.65,;-1.96,-6.79,;-.45,-6.47,;-.93,-7.94,;-2.43,-8.26,;-3.54,-3.04,;-3.07,-1.57,)|
FC(F)(F)Oc1ccc(cc1)-n1nc(CNC(=O)C=C)c2c(ccnc12)[C@H]1COC(=O)O1 |r|
NCC(=O)OC[C@@H](O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
CC(=O)OC[C@@H](O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
O[C@H](COP(O)(O)=O)c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OCc1ccnc2n(nc(CNC(=O)C3=CCC3)c12)-c1ccc(OC(F)(F)F)cc1 |t:14|
OCc1ccnc2n(nc(CNC(=O)C3=CCOC3)c12)-c1ccc(OC(F)(F)F)cc1 |t:14|
OCc1ccnc2n(nc(C3CN(C3)C(=O)C3=CCCC3)c12)-c1ccc(OC(F)(F)F)cc1 |t:17|
C\C=C(/C)C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12
OCc1ccnc2n(nc(C3CN(C3)C(=O)C3=CCOC3)c12)-c1ccc(OC(F)(F)F)cc1 |t:17|
OCc1ccnc2n(nc(C3CN(C3)C(=O)C34CC3C4)c12)-c1ccc(OC(F)(F)F)cc1
OC[C@@H](O)c1ccnc2n(nc(CNC(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1 |r|
OC[C@@H](O)c1ccnc2n(nc(CNC(=O)C3=CCC3)c12)-c1ccc(OC(F)(F)F)cc1 |r,t:16|
Cn1cc(cn1)-c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
CC(=C)S(=O)(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc([C@H](O)CO)c12 |r|
CC(=C)S(=O)(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc([C@@H](O)CO)c12 |r|
C\C=C\S(=O)(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc([C@H](O)CO)c12 |r|
C\C=C\S(=O)(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc([C@@H](O)CO)c12 |r|
FC(F)(F)Oc1ccc(cc1)-n1nc(C2CN(C2)C(=O)C2=CCC2)c2nccnc12 |t:22|
Cn1cc(cn1)-c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
NC(=O)Cn1cc(cn1)-c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
CN(C)C(=O)Cn1cc(cn1)-c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
COCCn1cc(cn1)-c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
CS(=O)(=O)CCn1cc(cn1)-c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
FC(F)n1cc(cn1)-c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
CC(C)n1cc(cn1)-c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
FC(F)(F)Oc1ccc(cc1)-n1nc(CNC(=O)C=C)c2c(ccnc12)-c1cnn(c1)C1COC1
CN(C)CCn1cc(cn1)-c1ccnc2n(nc(CNC(=O)C=C)c12)-c1ccc(OC(F)(F)F)cc1
FC(F)(F)Oc1ccc(cc1)-n1nc(CNC(=O)C=C)c2c(ccnc12)-c1cnn(c1)C1CC1
FC(F)n1cc(cn1)-c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
FC(=C)C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(-c3cnn(c3)C3COC3)c12
COCCn1cc(cn1)-c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
FC(=C)C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(-c3cnn(c3)C3CC3)c12
CC(C)n1cc(cn1)-c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
CS(=O)(=O)CCn1cc(cn1)-c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
CN(C)C(=O)Cn1cc(cn1)-c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
NC(=O)Cn1cc(cn1)-c1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1
FC(=C)C(=O)N1CC(C1)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(-c3cn[nH]c3)c12
OCc1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1Cl
Cc1cc(OC(F)(F)F)ccc1-n1nc(C2CN(C2)C(=O)C(F)=C)c2c(CO)ccnc12
OCc1ccnc2n(nc(C3CN(C3)C(=O)C(F)=C)c12)-c1ccc(OC(F)(F)F)cc1F
FC(F)(F)Oc1ccc(cc1)-n1nc(CNC(=O)C=C)c2c(cccc12)C#N
FC(F)(F)Oc1ccc(cc1)-n1nc(CNC(=O)C=C)c2ncccc12
FC(F)(F)Oc1ccc(cc1)-n1nc(CNC(=O)C=C)c2cccnc12
O=C(CSc1nnc[nH]1)Nc1ccc(cc1)C1C2CC3CC(C2)CC1C3 |TLB:13:16:18.25.19:23.21.22,25:24:22:18.19.20,THB:13:16:22:18.19.20,25:19:16.24.23:22,20:19:16:23.21.22,20:21:16:18.25.19,(23.85,-32.36,;23.85,-30.82,;22.52,-30.05,;21.19,-30.82,;19.85,-30.05,;19.35,-28.6,;17.81,-28.62,;17.37,-30.1,;18.63,-30.98,;25.19,-30.05,;26.52,-30.82,;26.52,-32.37,;27.85,-33.14,;29.19,-32.37,;29.18,-30.82,;27.85,-30.06,;30.52,-33.13,;31.72,-31.86,;33.05,-32.35,;34.44,-32,;34.45,-30.47,;33.06,-29.89,;31.71,-30.37,;32.02,-31.13,;32.02,-32.71,;33.43,-33.28,)|
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[H][C@@]12CCCN1C(=O)[C@H](CCCC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCCCC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCCCC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
[H][C@@]12CCCN1C(=O)[C@H](CCC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1Cl)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCCC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](CCCC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
[H][C@@]12CCCN1C(=O)[C@H](CCCC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C |r|
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
[H][C@@]12CCCc3c1n(CCN2C[C@H](O)CN1CCN(CC1)C(=O)c1ccco1)c1ccc(C)cc31 |r|
Cc1ccc2n3CCNC4CCCc(c34)c2c1
OCc1cc(=O)c(O)c(o1)C(Nc1ccccc1)c1ccccc1
CCCc1nn(C2CCC(F)(F)CC2)c2ccc(cc12)C(O)=O
Cn1cc2c3cc(ccc3n(-c3ccc(cc3)C(F)(F)F)c2n1)C(O)=O
c1cc(cc(c1)Nc2cccc3c2CN(C3)C#N)C(F)(F)F
COc1ccc2CN(Cc2c1Nc1cccc(c1)C(F)(F)F)C#N
FC(F)(F)c1ccc(Nc2cccc3CN(Cc23)C#N)cc1
c1ccc(c(c1)C(F)(F)F)Nc2cccc3c2CN(C3)C#N
Fc1ccc2CN(Cc2c1Nc1cccc(c1)C(F)(F)F)C#N
FC(F)(F)c1cccc(NC2CCCC3CN(CC23)C#N)c1
FC(F)(F)c1ccc(NC2CCCC3CN(CC23)C#N)cc1
NC(=O)c1oc2ccccc2c1NC(=O)CCl
ClCC(=O)NCCSc1ccc(Cl)cc1
Cc1ccccc1N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccccc1
COc1nnc(NC(=O)C=C)cc1\C=C\[C@H]1CC[C@@H](CC1)C(F)(F)F |r,wU:15.15,wD:18.22,(2,2.69,;.66,3.46,;-.67,2.69,;-2,3.46,;-3.33,2.69,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-7.34,.38,;-8.67,1.15,;-2,.38,;-.67,1.16,;.67,.39,;2,1.16,;3.33,.39,;4.67,1.16,;6,.39,;6,-1.15,;4.67,-1.92,;3.33,-1.15,;7.34,-1.92,;8.67,-1.15,;7.34,-3.46,;8.67,-2.69,)|
FC1(F)CCC(CC1)\C=C\c1cc(NC(=O)C=C)ncc1C#N
Fc1c2CCOc2c(\C=C\C2CCC(F)(F)CC2)cc1NC(=O)C=C
CCCCCn1ccc(n1)-c1ccc(NC(=O)C=C)cc1
CCCCc1cc(no1)-c1ccc(NC(=O)C=C)cc1
FC(F)(F)c1nc(no1)-c1ccc(NC(=O)C=C)cc1Cl
C=CC(=O)N1CCC(CCOc2ccccc2)CC1
FC(F)(F)c1cccc(OCC2CC(C2)NC(=O)C=C)c1 |(8.28,.18,;6.95,-.59,;6.95,-2.13,;8.28,-1.36,;5.61,.18,;5.61,1.71,;4.28,2.48,;2.95,1.71,;2.95,.17,;1.61,-.6,;.28,.17,;-1.05,-.6,;-2.54,-.2,;-2.95,-1.71,;-1.46,-2.11,;-4.28,-2.48,;-5.61,-1.71,;-5.61,-.17,;-6.95,-2.48,;-8.28,-1.71,;4.29,-.6,)|
FC(F)(F)c1cccc(OCC23CC(C2)(C3)NC(=O)C=C)c1
FC(F)(F)c1cccc(CNC2CC3(C2)CC(C3)NC(=O)C=C)c1 |(9.23,.73,;7.89,-.03,;7.89,-1.57,;9.23,-.8,;6.56,.73,;6.56,2.27,;5.22,3.04,;3.89,2.27,;3.89,.73,;2.56,-.04,;1.23,.73,;-.11,-.04,;-1.6,.36,;-2,-1.15,;-.51,-1.55,;-3.49,-.75,;-3.89,-2.27,;-2.41,-2.67,;-5.23,-3.04,;-6.56,-2.27,;-6.56,-.73,;-7.89,-3.04,;-9.23,-2.27,;5.23,-.04,)|
OCc1c2CCOc2c(cc1CNS(=O)(=O)C=C)-c1ccc(OC(F)(F)F)cc1
Cn1cnc2c(cc(CNC(=O)C=C)c(C#CCO)c12)-c1ccc(OC(F)(F)F)cc1
Cn1cnc2c(nc(nc12)C1CN(C1)C(=O)C=C)-c1ccc(OC(F)(F)F)cc1
CN(Cc1cc(c2OCCc2c1CO)-c1ccc(OC(F)(F)F)cc1)C(=O)C=C
FC(F)(F)Oc1ccc(cc1)-c1nc(nc2scnc12)C1CN(C1)C(=O)C=C
Cn1cnc2c(nc(nc12)C1CN(C1)C(=O)C1=CCC1)-c1ccc(OC(F)(F)F)cc1 |t:19|
CN(Cc1nn(-c2ccc(OC(F)(F)F)cc2)c2ccccc12)C(=O)CCl
CNS(=O)(=O)c1ccc(Nc2ccc(cc2)C(F)(F)F)c(c1)-c1cn(C)cn1
C=CC(=O)N1C[C@@H](n2cc(C3CCOCC3)nn2)[C@H](OCc2ccc(C(F)(F)F)cc2)C1
C=C(F)C(=O)N1C[C@@H](Nc2ncccn2)[C@H](OCc2ccc(C(F)(F)F)cc2)C1
C=C(F)C(=O)N1C[C@@H](n2cc(-c3cccnc3)nn2)[C@H](OCc2ccc(C(F)(F)F)cc2)C1