290 SMILES Strings for Ubiquitin carboxyl-terminal hydrolase isozyme L1

Compound Name
SMILES String
Cc1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1
CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1cccc(C)c1)C(=O)OCc1ccccc1
Cc1cccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C
COc1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)cc1
COC(=O)[C@H]1[C@H](CCc2ccccc2)NC(=O)N(Cc2ccccc2)[C@@H]1C
CC1=CC(=O)c2ccccc2C1=O
COc1ccc2nc(nc(C3CCCCC3)c2c1)C1CCCCC1
C1CCC(CC1)c1nc(nc2ccccc12)-c1ccccc1
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(c2oc3c(-[#8])c(-[#8])ccc3c(=O)c2c1-[#8])C([#6])([#6])[#6]=[#6]
O[C@@H]1CCCN2CCc3c([nH]c4ccccc34)[C@H]12
CC1Oc2cc3oc4c(O)c(O)ccc4c(=O)c3c(O)c2C1(C)C
CC1Oc2cc3oc4c(O)c5OC(C)(C)C=Cc5cc4c(=O)c3c(O)c2C1(C)C |c:15|
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6@@H]-2-[#6]-[#8]-c3c(-[#6]-2)ccc2-[#8]C([#6])([#6])[#6]=[#6]-c32)c(-[#8])cc1-[#8] |c:22|
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6@@H]-2-[#6]-[#8]-c3c(-[#6]-2)ccc2-[#8]C([#6])([#6])[#6]=[#6]-c32)c(-[#8])c1 |c:24|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]C([#6])([#6])[#6]=[#6]-c2c(-[#8])c2c1oc1-c3cc(-[#8])c(-[#8])cc3-[#8]-[#6](\[#6]=[#6](\[#6])-[#6])-c1c2=O |c:11|
CC1(C2CCC(O1)(CC2)C)C
Cc1cccc(OCC(=O)Nc2ccncc2)c1
OC(=O)c1c(NC(=O)c2ccccc2F)scc1-c1ccc(Br)cc1
COc1ccc(cc1)-c1csc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C(O)=O
O=C1C=C(N2CCCCC2)c2ccccc2C1=O |t:2|
COc1cc(OC)c([C@H]2C=C(C)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 |t:9,TLB:7:8:15:13,THB:11:10:15:13|
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|
COc1cc(C)c(C(=O)CC(=O)c2c(C)cc(OC)cc2C)c(C)c1
Brc1cc(nc(n1)-c1ccccc1)-c1ccccc1
CN1CCN(CC1)C1Cc2ccc(Cl)cc2Sc2ccc(F)cc12
COc1ccc(CC2=CC(=O)c3ccccc3C2=O)cc1 |t:7|
Clc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
Cc1c(oc2c(Cl)cc(C)cc12)C(=O)N1CCC(O)(CC1)c1ccccc1
COc1ccc(cc1Cl)N(CC(=O)NCCSCc1cccc(Cl)c1)S(C)(=O)=O
Cc1n[nH]c(C)c1CCCCOc1ccc(C)cc1
CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(O)c(c3)[N+]([O-])=O)c(=O)n2C1c1ccccc1OC |c:5,t:8|
CC(C)NC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1
Oc1ccc(Oc2ccc(Oc3ccc(O)cc3)cc2)cc1
CN(N)c1nc(cc(n1)-c1ccc(C)cc1)-c1ccccc1
Cc1ccccc1C(=O)Nc1scc(c1C(O)=O)-c1ccc(Br)cc1
Cc1cccc(c1)C(=O)Nc1scc(c1C(O)=O)-c1ccc(Br)cc1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1ccc(o1)[N+]([O-])=O |TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
Cc1ccc(Cn2c(nc3ccccc23)C(CO)Nc2nc(cs2)-c2ccc(F)cc2)cc1
OC(C(=O)N\[NH+]=C\[c-]1cc(ccc1=O)[N+]([O-])=O)(c1ccccc1)c1ccccc1
COc1ccc(cc1)-n1c(C=Cc2ccc(O)c(OC)c2)nc2ccccc2c1=O |w:10.10|
COc1ccc(cc1)N=Nc1cc(ccc1O)-c1ccccc1 |w:8.8|
CC(C)c1ccc(C=Nn2c(n[nH]c2=S)-c2ccccc2)cc1 |w:8.8|
Oc1c(Br)cc(Br)cc1CNc1cccc2cccnc12
OC(C(=O)N\[NH+]=C\[c-]1cc(Cl)cc([N+]([O-])=O)c1=O)(c1ccccc1)c1ccccc1
COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1O
CC(C)c1cc(C)ccc1OCCn1c2ccccc2[nH]c1=S
CCOc1ccc(CN=Nc2cc(nc(C)n2)N2CCOCC2)c(O)c1 |w:9.9|
COc1cccc(c1)C(=O)Oc1ccc(CN=Nc2ccc(cc2)C(O)=O)cc1OC |w:17.18|
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(C=NNC(N)=S)cc1 |w:18.21,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
COc1ccc(Nc2nc(NN)nc(Nc3ccc(OC)cc3)n2)cc1
Oc1cccc(Nc2cc(Cl)c3nonc3c2[N+]([O-])=O)c1
Cc1c(Cl)cccc1-c1ccc(CNCc2ccccn2)o1
CCCOc1ccc(\C=C\c2c([N+]([O-])=O)c(=O)n(C)c(=O)n2C)cc1
COc1ccccc1-c1cc(nc(SCC(O)=O)c1C#N)-c1ccccc1
CC(N=Nc1cc(nc(C)n1)N1CCCCC1)c1ccc(Br)cc1 |w:3.3|
CCN(CC)c1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(n1)N(CC)CC
CCC1=NN(C(=O)c2ccccc2O)C(O)(C1)c1ccccc1 |t:2|
Clc1cccc(Cl)c1C1Nc2cccc3cccc(N1)c23
Cc1nc(N=NCc2ccc3OCOc3c2)sc1C |w:4.3|
CCCCn1c2ccccc2c(O)c(C(=O)NCc2ccccc2)c1=O
COc1cccc(CN=Nc2cc(ncn2)N2CCOCC2)c1O |w:9.9|
CCCCn1c2ccccc2c(O)c(C(=O)NCCc2ccccc2)c1=O
CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(Br)cc(Br)cc23)C(=O)C1 |t:8|
CCCc1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1
CC(C)(C)c1ccc(O)c(c1)N=Cc1c(O)ccc2ccccc12 |w:11.11|
COc1cccc(NC(=O)Nc2nc(SC(C)(C)C)ns2)c1
CCSc1nsc(NC(=O)Nc2cccc(F)c2)n1
CCCCn1c2ccccc2c(O)c(C(=O)NCc2ccccc2Cl)c1=O
Cc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cccc(c1)[N+]([O-])=O
CC[n+]1c(\C=C\N(C)c2ccccc2)n(-c2ccccc2)c2ccc(cc12)-c1nc2ccccc2s1
CC(=NNC(=O)c1ccc(C)cc1)c1c(C)[nH]n(-c2ccccc2)c1=O |w:2.2|
CC(=O)ON=C1C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc12 |w:4.3|
CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)O)C)C)C)C)O
OC[C@H]1O[C@@H](Oc2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
[H]C12[#6]-[#6@H]-3-[#6]=[#6]4-[#6](=O)-c5c(-[#8]-[#6](-[#6])=O)c6-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14C([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]-3=O |r,c:15,t:4,TLB:34:35:44.45:48.3.2,4:3:35:44.45,THB:5:35:44.45:48.3.2,49:48:35:44.45,45:1:5.4:36.48|
CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C(O)c2c(O)c3C |wU:45.47,41.43,37.39,43.45,35.37,6.6,wD:2.1,39.41,50.53,c:33,t:3,35,54,(15.1,-5.61,;13.64,-5.11,;13.35,-3.6,;14.73,-2.92,;16.01,-3.78,;17.39,-3.1,;17.5,-1.56,;18.99,-1.94,;18.12,-.17,;16.98,.86,;15.65,.09,;15.97,-1.41,;16.45,-2.87,;14.32,.86,;12.94,.04,;14.28,-.72,;11.54,.83,;10.21,.05,;9.44,1.38,;9.43,2.92,;8.1,3.69,;8.09,5.23,;9.42,6,;9.42,7.54,;10.76,5.24,;10.76,3.7,;11.54,2.43,;10.16,1.76,;9.14,.62,;9.33,-.91,;7.86,1.48,;7.43,2.96,;6.47,.8,;6.37,-.73,;4.99,-1.41,;4.49,-2.87,;3.08,-2.24,;5.5,-4.03,;4.48,-5.18,;7.04,-4.13,;6.8,-5.65,;7.9,-2.85,;7.67,-1.33,;9.41,-2.56,;10.9,-2.2,;10.69,-3.42,;10.98,-4.93,;10.48,-6.38,;11.5,-7.54,;8.97,-6.68,;12.07,-2.74,;13.58,-2.44,;12.94,3.22,;12.96,4.76,;14.32,2.4,;15.65,3.17,;15.65,4.71,;16.98,2.4,;18.32,3.17,)|
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12 |t:4|
CCOc1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r|
CC(C)Oc1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r|
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2Oc1ccccc1 |r|
O=C([C@@H]1CCCN1C#N)N1CCc2cc(Oc3ccccc3)ccc12 |r|
CCN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1ccccc1 |r|
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccccc1 |r|
Cc1noc(C)c1-c1ccc2N(CCc2c1)C(=O)[C@@H]1CCCN1C#N |r|
COc1cccc(c1)-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r|
COc1ccc(cc1)-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r|
Cc1cccc(C)c1-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r,wU:19.21,(-5.98,-1.51,;-5.21,-2.84,;-5.98,-4.18,;-5.21,-5.51,;-3.67,-5.51,;-2.9,-4.18,;-1.36,-4.18,;-3.67,-2.84,;-2.9,-1.51,;-3.67,-.18,;-2.9,1.16,;-1.36,1.16,;-.59,-.18,;.91,-.5,;1.08,-2.03,;-.33,-2.66,;-1.36,-1.51,;2,.59,;1.6,2.08,;3.49,.19,;3.97,-1.27,;5.51,-1.27,;5.98,.19,;4.74,1.1,;4.74,2.64,;4.74,4.18,)|
COc1ccccc1-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r|
CNC(=O)c1cccc(c1)-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r|
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2C1CC1
CO[C@H]1C[C@H](N(C1)C#N)C(=O)N1CCc2c1cccc2-c1ccccc1
CO[C@@H]1C[C@H](N(C1)C#N)C(=O)N1CCc2c1cccc2-c1ccccc1
Cc1oncc1-c1ccc2N(CCc2c1)C(=O)[C@@H]1CCCN1C#N
O=C([C@@H]1CCCN1C#N)N1CCc2cc(ccc12)-c1ccccc1
FC(F)(F)c1[nH]ncc1-c1ccc2N(CCc2c1)C(=O)[C@@H]1CCCN1C#N
FC(F)(F)c1[nH]ncc1-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r|
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1cn[nH]c1 |r|
Cc1[nH]ncc1-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r|
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccc(cc1)C#N
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1cccc(c1)C#N
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccccc1C#N
Cc1n[nH]c(C)c1-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |wU:18.20,(4.04,-2.74,;2.58,-3.22,;2.1,-4.68,;.56,-4.68,;.09,-3.22,;-1.38,-2.74,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-1.94,3.48,;-3.45,3.8,;-.91,4.63,;.62,4.46,;1.25,5.87,;.1,6.9,;-1.23,6.13,;-2.64,6.76,;-4.04,7.38,)|
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1cc[nH]n1
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1c[nH]c2ncccc12
FC(F)(F)c1[nH]ncc1-c1cccc2N(CCc12)C(=O)[C@@H]1CC(F)(F)CN1C#N
F[C@H]1C[C@H](N(C1)C#N)C(=O)N1CCc2c1cccc2-c1cn[nH]c1C(F)(F)F
Cc1[nH]ncc1-c1cccc2N(CCc12)C(=O)[C@@H]1CC(F)(F)CN1C#N
O=C([C@@H]1CCCN1C#N)N1CCc2cc(ccc12)-c1ccn[nH]1
O=C([C@@H]1CCCN1C#N)N1Cc2cccc(c2C1)-c1ccccc1
O=C([C@@H]1CCCN1C#N)N1Cc2ccc(cc2C1)-c1ccccc1
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccccn1 |r|
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccnnc1
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccncn1
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1c[nH]nc1C1CC1
Nc1nccc(n1)-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccncc1 |r|
Cc1oncc1-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N
Cc1noc(C)c1-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |wU:18.20,(4.04,-2.74,;2.58,-3.22,;2.1,-4.68,;.56,-4.68,;.09,-3.22,;-1.38,-2.74,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-1.94,3.48,;-3.45,3.8,;-.91,4.63,;.62,4.46,;1.25,5.87,;.1,6.9,;-1.23,6.13,;-2.64,6.76,;-4.04,7.38,)|
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1cccnc1
O=C([C@@H]1CCCN1C#N)N1CCc2ccc(cc12)-c1ccccc1 |r|
O=C([C@@H]1CCCN1C#N)N1CCOc2c1cccc2-c1ccccc1
O=C([C@@H]1CCCN1C#N)N1CCCc2c1cccc2-c1ccccc1
COc1ccccc1-c1csc(n1)N(C)C(=O)[C@@H]1CCCN1C#N |r|
COc1cccc(c1)-c1csc(n1)N(C)C(=O)[C@@H]1CCCN1C#N
CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1ccccn1
CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1cccnc1
CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1ccncc1
CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)C1CCOC1
CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1cccc(Cl)c1
CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1ccccc1Cl
CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1ccccc1 |r|
CN(C(=O)[C@@H]1CCCN1C#N)c1ccn(n1)-c1ccccc1
CC(C)c1csc(n1)N(C)C(=O)[C@@H]1CCCN1C#N
CN(C(=O)[C@@H]1CCCN1C#N)c1cc(no1)-c1ccccc1
CN(C(=O)[C@@H]1CCCN1C#N)c1ncc(Cc2ccccc2)s1 |r|
CN(C(=O)[C@@H]1CCCN1C#N)c1ncc(s1)-c1ccccc1
CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)C(C)(C)C
CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1ccc(Cl)cc1
CN(C(=O)[C@@H]1CCCN1C#N)c1cc(no1)-c1ccccc1Cl
CN(C(=O)[C@@H]1C[C@H](CN1C#N)c1ccccc1)c1nc(cs1)-c1ccccc1
CN(C(=O)[C@@H]1CCCN1C#N)c1cc(no1)-c1cccc(Cl)c1 |r|
COc1cccc(c1)-c1cc(on1)N(C)C(=O)[C@@H]1CCCN1C#N
CN(C(=O)[C@@H]1CCCN1C#N)c1cc(on1)-c1ccccc1
CN(C(=O)[C@@H]1CCCN1C#N)c1cc(no1)-c1ccc(Cl)cc1
CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nc(cs1)-c1ccc(NC(C)=O)cc1 |r|
CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1cccc(NC(C)=O)c1
CCOC(=O)c1c(cnn1Cc1ccc(OC)cc1)B1OC(C)(C)C(C)(C)O1
CO[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)N(C)c1nc(cs1)-c1ccccc1 |r|
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCc2c1cccc2C#C[Si](C)(C)C |r|
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCc2c1cccc2Br |r|
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCc2c1cccc2-c1cn[nH]c1C#N |r|
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCc2c(C1)cccc2-c1ccccc1 |r|
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCc2c1cccc2-c1ccnc(N)c1 |r|
CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1ccnc(c1)C#N
CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1cc(ccn1)C#N
COc1cccc(n1)-c1csc(n1)N(C)C(=O)[C@@H]1CCCN1C#N
COC(=O)c1cc2N(CCc2c(Br)c1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C |r|
CCNC(=O)c1cc2N(CCc2c(c1)-c1ccccc1)C(=O)[C@@H]1CCCN1C#N |r|
CCc1cccc(c1)-c1cc(cc2N(CCc12)C(=O)[C@@H]1CCCN1C#N)C(=O)NC |r|
CNC(=O)c1cc2N(CCc2c(c1)-c1ccc2ncccc2c1)C(=O)[C@@H]1CCCN1C#N |r|
CNC(=O)c1cc2N(CCc2c(c1)-c1c[nH]c2ncccc12)C(=O)[C@@H]1CCCN1C#N |r|
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCc2c1cc(cc2-c1ccccc1)-c1ncc[nH]1 |r|
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCc2c1cc(cc2-c1ccccc1)-c1nnc[nH]1 |r|
Cc1nnc([nH]1)-c1cc2N(CCc2c(c1)-c1ccccc1)C(=O)[C@@H]1CCCN1C#N |r|
Cc1[nH]ncc1-c1cccc2N(CCc12)C(=O)[C@@H]1C[C@H](F)CN1C#N |r|
CC(=O)Nc1cc(ccn1)-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C |r|
FC(F)(F)c1[nH]ncc1-c1nccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r|
CNC(=O)c1cc2N(CCc2c(c1)-c1ccccc1Cl)C(=O)[C@@H]1CCCN1C#N
CNC(=O)c1cc2N(CCc2c(c1)-c1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCN1C#N
CNC(=O)c1cc2N(CCc2c(c1)-c1ccc2OCOc2c1)C(=O)[C@@H]1CCCN1C#N
CCN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nc(cs1)-c1cccc(Cl)c1 |r|
CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nc(cs1)-c1cncc(Br)c1 |r|
Clc1cccc(c1)-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N
FC(F)(F)c1n[nH]cc1-c1ccc2CN(Cc2c1)C(=O)[C@@H]1CCCN1C#N
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccncc1C#N
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccnc2[nH]ccc12
Nc1cccc(n1)-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N
Nc1cncc(n1)-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N
CNc1nccc(n1)-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N
Nc1ncc(cn1)-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1n[nH]c2ncccc12
O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1c[nH]c2nccnc12
CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1ccc(F)c(Cl)c1
CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1cccc(c1)C(F)(F)F
CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1cccc(c1)C#N
Cc1noc(C)c1-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r,wU:18.20,(-1.73,-4.79,;-3.2,-4.31,;-4.44,-5.21,;-5.69,-4.31,;-5.21,-2.84,;-6.12,-1.6,;-3.67,-2.84,;-2.9,-1.51,;-3.67,-.18,;-2.9,1.16,;-1.36,1.16,;-.59,-.18,;.91,-.5,;1.07,-2.03,;-.33,-2.66,;-1.36,-1.51,;2,.59,;1.6,2.08,;3.49,.19,;3.97,-1.27,;5.51,-1.27,;5.98,.19,;4.74,1.1,;4.74,2.64,;4.74,4.18,)|
O=C([C@@H]1CCCN1C#N)N1CCc2cc(ccc12)-c1ccno1
FC(F)(F)c1n[nH]cc1-c1cccc2N(CCc12)C(=O)[C@@H]1CC(F)(F)CN1C#N
FC1C[C@H](N(C1)C#N)C(=O)N1CCc2c1cccc2-c1c[nH]nc1C(F)(F)F
O=C([C@@H]1CCCN1C#N)N1Cc2cccc(c2C1)-c1ccccn1
CCOC(=O)c1c(cnn1Cc1ccc(OC)cc1)-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r|
O=S(=O)(NC1CCN(C1)C#N)c1ccccc1-c1ccccc1
O=S(=O)(NC1CCN(C1)C#N)c1ccc(cc1)-c1ccccc1
O=S(=O)(N[C@@H]1CCN(C1)C#N)c1ccc(cc1)-c1ccccc1
O=S(=O)(N[C@H]1CCN(C1)C#N)c1ccc(cc1)-c1ccccc1
O=S(=O)(NC1CCN(C1)C#N)c1ccccc1
O=S(=O)(N[C@H]1CCN(C1)C#N)c1ccccc1 |r|
O=S(=O)(NC1CCN(C1)C#N)c1ccc(OCc2ccccc2)cc1
O=S(=O)(NC1CCN(C1)C#N)c1ccc(cc1)-c1cncnc1
O=S(=O)(NC1CCN(C1)C#N)c1ccc(cn1)-c1ccccc1
Fc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC1CCN(C1)C#N
O=S(=O)(NC1CCN(C1)C#N)c1ccc(cc1)-c1ccncc1
O=S(=O)(NC1CCN(C1)C#N)c1ccc(cc1)N1CCCCC1
Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)NC1CCN(C1)C#N
O=S(=O)(NC1CCN(C1)C#N)c1ccc(Oc2ccccc2)nc1
CC(C)c1ccc(cc1)S(=O)(=O)NC1CCN(C1)C#N
FC(F)(F)c1ccc(Oc2ccc(cc2)S(=O)(=O)NC2CCN(C2)C#N)nc1
CN([C@@H]1CCN(C1)C#N)S(=O)(=O)c1ccc(cc1)-c1cccnc1 |r|
Cn1nccc1C(=O)Nc1ccc(cn1)S(=O)(=O)NC1CCN(C1)C#N
CN(C1CCN(C1)C#N)S(=O)(=O)c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
O=S(=O)(Nc1ccc(cc1)-c1ccccc1)C1CCN(C1)C#N
O=C(Nc1nc2ccc(cc2s1)C1CC1)[C@H]1CCN(C1)C#N |r|
Cc1noc(C)c1-c1ccc2nc(NC(=O)[C@H]3CCN(C3)C#N)sc2c1 |r|
Brc1ccc2nc(NC(=O)[C@H]3CCN(C3)C#N)sc2n1 |r|
Cc1noc(C)c1-c1ccc2nc(NC(=O)[C@H]3CCN(C3)C#N)sc2n1 |r|
O=C(N[C@H]1CCN(C1)C#N)c1nc2ccccc2s1 |r|
O=C(Nc1ncc(s1)-c1ccccc1)[C@H]1CCN(C1)C#N |r|
Cc1noc(C)c1-c1ccc2nc(NC(=O)[C@@H]3CCN(C3)C#N)sc2c1 |r|
O=C(Nc1ccn(Cc2ccccc2)c1)[C@H]1CCN(C1)C#N |r|
O=C(Nc1nc2CCN(Cc2s1)C(=O)c1ccccc1)C1CCN(C1)C#N
O=C(Nc1cn(cn1)-c1ccccc1)[C@H]1CCN(C1)C#N |r|
O=C(Nc1cn(Cc2ccccc2)cn1)[C@@H]1CCN(C1)C#N |r|
O=C(Nc1nc2ccccc2[nH]1)[C@H]1CCN(C1)C#N |r|
O=C(Nc1nc2CN(Cc3ccccc3)CCn2n1)[C@H]1CCN(C1)C#N |r|
O=C(Nc1cn(Cc2ccccc2)cn1)[C@H]1CCN(C1)C#N |r|
Brc1ccc2nc(NC(=O)C3CN(C3)C#N)sc2c1
Cc1noc(C)c1-c1ccc2nc(NC(=O)C3CCN(CC3)C#N)sc2c1
O=C(Nc1nc2CN(CCn2n1)C(=O)c1ccccc1)[C@H]1CCN(C1)C#N |r|
O=C(Nc1cn(cn1)C1CCCN(C1)C(=O)c1ccccc1)[C@H]1CCN(C1)C#N |r|
Cc1noc(C)c1-c1ccc2nc(NC(=O)[C@H]3CCN(CC#N)C3)sc2c1 |r|
O=C(Nc1ccc2N(CCc2c1)C#N)c1nc2ccccc2s1
O=C(Nc1cn(Cc2ccccc2)cn1)[C@H]1CCCN(C1)C#N |r|
O=C(NCC1CN(C1)C#N)c1nc2ccccc2s1
Cc1noc(C)c1-c1ccc2nc(NC(=O)C3CN(C3)C#N)sc2c1
CC(=O)N1CCn2nc(NC(=O)[C@H]3CCN(C3)C#N)nc2C1 |r|
CC(=O)ON=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Br)cc12 |w:4.3|
CC(=O)ON=C1C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Br)cc12 |w:4.3|
CC(=O)ON=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(I)cc12 |w:4.3|
CCCCc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc(cc1)C(C)C
Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1
CC(=O)C1=C(O)C(=O)N(CCc2ccc(Cl)c(Cl)c2)C1c1ccc(Br)cc1 |c:3|
CC(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccc2ccccc2c1
Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1C(F)(F)F
CC(C)(C)C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1cccs1
CC(C)(C)c1ccc(cc1)C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
NC(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)C1CCCCC1
Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccncc1
Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccc(cc1)C(F)(F)F
COc1ccccc1C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Cc1ccc(cc1)C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Cc1ccccc1C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)N1CCCCC1
Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccc(Cl)cc1
COc1ccc(cc1)C(=O)c1sc2[nH]c(=O)c(cc2c1N)C(O)=O
Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1ccccc1Cl
COC(=O)c1cc2c(N)c(sc2[nH]c1=O)C(=O)c1ccc(C)cc1
Nc1c(sc2[nH]c(=O)c(cc12)C(O)=O)C(=O)c1cccc2ccccc12
Oc1ccc(cc1)-c1c(O)c(O)c(-c2ccc(O)cc2)c(OC(=O)Cc2ccccc2)c1OC(=O)Cc1ccccc1
CCC[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1 |r|
CC(=O)O\N=C1/C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc12
C[C@H]1CNCC[C@H]1Oc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)C4C(C3=O)C4(C)C)sc12 |r|
Nc1ccc(cc1)-c1cn(Cc2cc(cc(c2)-c2cccc(c2)C(O)=O)C(O)=O)nn1
[N-]=[N+]=NCC(=O)N1CCc2nc(NC(=O)[C@@H]3CCN(C3)C#N)sc2C1
[N-]=[N+]=NCC(=O)N1CCc2nc(NC(=O)[C@H]3CCN(C3)C#N)sc2C1
O=C(Nc1ncc(s1)-c1ccc(cc1)C#C)[C@H]1CCN(C1)C#N |r|
CC(=O)O\N=C1\C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc12
O=C(Nc1ncc(s1)N1CCOCC1)C1CCN(C1)C#N
FC(F)(F)c1nn(CCC#C)cc1-c1cccc2n(ccc12)C(=O)C1CCCN1C#N
FC(F)(F)c1[nH]ncc1-c1cccc2n(ccc12)C(=O)C1CCCN1C#N
Clc1ccc(CCNC(=O)c2ccc3nc4CCCCc4c(Cl)c3c2)cc1
CN(C)CCn1ccc2ccc(NC(=O)C=C)cc12
Cc1nc(N2CCN(CC2)C(=O)C=C)c2cnn(C)c2n1
CN1CCN(CC1)c1ccc(cc1CNC(=O)C=C)C(F)(F)F
COc1nc(ccc1NC(=O)C=C)N1CCN(C)CC1
C=CC(=O)Nc1ccc2nc(oc2c1)N1CCOCC1
C=CC(=O)NCCn1ccnc1-c1ccccc1
C=CC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1
CCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(NS(=O)(=O)c4ccc(CC)cc4)cc3)cc2)cc1
COC(=O)CC[C@H](NC(=O)[C@H](C)NC[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)CF
C#Cc1ccc(COC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)OC)C(=O)CF)C(C)C)cc1
N#Cc1ncc(C(=O)NCc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)cn1
C#CCCCNC(=O)c1ccc(-n2cnc(NC(=O)[C@H]3CCN(C#N)C3)c2)cc1
Cc1nn(C)c2cc(-c3ccc(-n4cnc(NC(=O)[C@H]5CCN(C#N)C5)c4)cc3)ccc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12