173 SMILES Strings for [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial

Compound Name
SMILES String
C(C(=O)O)(Cl)Cl
Oc1ccc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)c1 |(.68,.63,;2.01,1.4,;2.01,2.94,;3.35,3.71,;4.68,2.94,;5.88,3.91,;7.36,3.51,;8.2,4.8,;7.23,6,;7.63,7.48,;5.8,5.45,;4.46,6.22,;3.13,5.44,;1.79,6.21,;1.79,7.76,;3.13,8.53,;3.13,10.06,;4.46,10.84,;5.8,10.07,;5.8,8.52,;4.46,7.76,;4.68,1.4,;6.01,.63,;3.35,.63,)|
c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br
c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O
c1ccc2c(c1)CN(C2)S(=O)(=O)c3ccc(cc3O)O
c1cc2c(cc1O)CN(C2)S(=O)(=O)c3ccc(cc3O)O
c1cc(c(cc1O)O)S(=O)(=O)N2Cc3cc(cc(c3C2)O)O
COc1ccccc1N1CCN(CC1)C(=O)\C=C\c1noc(c1-c1ccc(O)cc1)-c1cc(Cl)c(O)cc1O
Fc1ccc(cc1)-c1nn2ccccc2c1-c1ccncc1
N[C@@H](CC(N)=O)C(=O)N1CCC(CC1)Nc1ccc2CN(Cc2c1)S(=O)(=O)c1ccc(O)cc1O |r|
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
COc1ccc(cc1)N(C)C(=O)c1ccc(O)cc1O
Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CNC(=O)C(F)F)cc1)C(=O)c1ccc(O)cc1O
[O-]C(=O)C(Cl)Cl
CC(Cl)C(=O)N1CCC(Cc2ccccc2)CC1
CCCC1CCN(CC1)C(=O)[C@](C)(O)C(F)(F)F |r|
C[C@@H]1CN(CCN1Cc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F
C[C@@](O)(C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1)C(F)(F)F
COc1cc(cc(OC)c1OC)C(=O)N1CCN(C[C@H]1C)C(=O)[C@@](C)(O)C(F)(F)F
C[C@@](O)(C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C#N)C(F)(F)F
C[C@@H]1CN(CCN1c1cc(ccn1)[N+]([O-])=O)C(=O)[C@@](C)(O)C(F)(F)F
C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F |r|
CC(=O)N1CCC(Cc2ccccc2)CC1
C[C@@H]1CN([C@@H](C)CN1C(=O)OCc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F
C[C@@](O)(C(=O)N1CCCN(CC1)c1cc(Cl)ccn1)C(F)(F)F
CN(C)C(=O)N1CCC(Cc2ccccc2)CC1
C\N=C(\S)N1CCC(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)c1ccc(cc1)C(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F
CC1CCCCN1C(=O)[C@@](C)(O)C(F)(F)F
ClC(Cl)C(=O)Nc1ccccc1Cl
C[C@@](O)(C(=O)N1CCN(CC1)C(\Oc1ccccc1)=N\C#N)C(F)(F)F
C[C@@](O)(C(=O)N1CCN(CC1)C(=O)c1ccccc1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)OCc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F
C[C@@](O)(C(=O)N1CCN(CC1)C(=O)c1cccc2ccccc12)C(F)(F)F
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(=O)[C@@](C)(O)C(F)(F)F
C[C@@H]1CN([C@@H](C)CN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)[C@@](C)(O)C(F)(F)F
ClC(Cl)(Cl)C(=O)N1CCC(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1c(C)cc(C)cc1C)C(=O)[C@@](C)(O)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F
CNC(=O)N1CCC(Cc2ccccc2)CC1
C[C@@H]1CN(CCN1C(=O)c1cccc2ccccc12)C(=O)[C@@](C)(O)C(F)(F)F
CC(C)(O)C(=O)Nc1ccccc1Cl
C[C@@H]1CN(CCN1\C(Oc1ccccc1)=N\C#N)C(=O)[C@@](C)(O)C(F)(F)F
C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F
C[C@@](O)(C(=O)N1CCCN(Cc2ccccc2)CC1)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)[C@@](C)(O)C(F)(F)F
C[C@@](O)(C(=O)N1CCN(CC1)c1ccccc1)C(F)(F)F
CC(O)(C(=O)N1CCCCC1)C(F)(F)F
C[C@@](O)(C(=O)NC1CCCCC1)C(F)(F)F
CC(C)(O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:6:7:13:10.9.11,16:15:13:10.9.11,THB:6:7:10.9.16:12.14.13,16:10:7.15.14:13,11:10:7:12.14.13,11:12:7:10.9.16,(4.19,-14.79,;4.62,-13.3,;4.19,-11.81,;3.08,-13.3,;6.11,-13.7,;6.09,-15.24,;7.42,-12.94,;8.77,-13.7,;9.93,-13.3,;9.91,-11.76,;10.83,-10.08,;12.15,-10.83,;12.4,-12.56,;11.63,-13.89,;11.14,-12.99,;9.52,-12.37,;9.5,-10.83,)|
ClC(Cl)C(=O)N1CCC(Cc2ccccc2)CC1
CC(O)C(=O)N1CCC(Cc2ccccc2)CC1
C[C@@H]1CN([C@@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1cccc2ccccc12
C[C@H]1CN([C@H](C)CN1Cc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F
C[C@@](O)(C(=O)N1CCCN(CC1)C(=O)c1ccccc1)C(F)(F)F
C\N=C(/S)N1CCC(=CC1)C(C)(C)C |c:7|
CCC(O)(C(=O)Nc1ccccc1Cl)C(F)(F)F
OC(C(=O)NC1C2CC3CC(C2)CC1C3)(C(F)(F)F)C(F)(F)F |TLB:4:5:7:10.11.9,THB:4:5:8.7.14:10.12.11,9:8:5:10.12.11,9:10:5:8.7.14,12:13:7:10.11.9,12:10:7:5.13.14,(7.39,-12.29,;8.93,-12.29,;10.4,-12.69,;10.4,-14.22,;11.75,-11.94,;13.09,-12.71,;13.84,-11.36,;13.84,-9.83,;15.15,-9.05,;16.49,-9.81,;16.75,-11.56,;15.47,-11.97,;15.97,-12.9,;14.25,-12.29,;14.25,-10.75,;8.51,-10.78,;8.16,-9.41,;9.45,-9.47,;7.05,-10.13,;8.51,-13.77,;8.13,-15.1,;7.05,-14.41,;9.45,-15.08,)|
COC(=O)c1ccc(cc1)C(=O)N1C[C@H](C)N(C[C@H]1C)C(=O)[C@@](C)(O)C(F)(F)F
C[C@@H]1CN(CCN1S(=O)(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F
OC1(CC1)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:6:7:10.9.16:12.13.14,THB:6:7:9:12.13.11,14:15:9:12.13.11,14:12:9:7.15.16,11:10:7:12.13.14,11:12:7:10.9.16,(1.42,-2.48,;1.45,-4.01,;1.05,-5.5,;-.04,-4.37,;2.93,-4.42,;2.93,-5.93,;4.28,-3.67,;5.62,-4.42,;6.77,-4.01,;8.5,-4.63,;9.26,-3.28,;9,-1.54,;7.67,-.76,;6.77,-2.48,;6.36,-1.54,;6.36,-3.08,;7.98,-3.69,)|
C[C@@](O)(C(=O)N1CCN(Cc2ccccc2)CC1)C(F)(F)F
COC(=O)N1CCC(Cc2ccccc2)CC1
C[C@](O)(C(=O)Nc1ccccc1Cl)C(F)(F)F
C[C@@H]1CN([C@@H](C)CN1Cc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F
C[C@@](O)(C(=O)N1CCN(CC1)c1ccccn1)C(F)(F)F
C[C@@](O)(C(=O)Nc1ccccc1Cl)C(F)(F)F
C[C@@H]1CN(CCN1S(=O)(=O)c1cccc2ccccc12)C(=O)[C@@](C)(O)C(F)(F)F
CC(C)(O)C(=O)N1CCC(Cc2ccccc2)CC1
[H]C12CC3([H])CC([H])(C1)C(NC(=O)[C@](C)(O)C(F)(F)F)C([H])(C2)C3 |r,wU:13.14,wD:13.15,TLB:10:9:8:3.5.2,23:20:8:3.5.2,THB:2:1:9:3.23.5,2:3:9:1.22.8,10:9:1.22.8:3.23.5,23:3:9.20.22:8,(17.73,-11.74,;16.06,-11.92,;15.8,-10.19,;14.49,-9.43,;15.33,-7.94,;13.57,-11.12,;13.59,-12.65,;13.19,-14.33,;15.29,-13.26,;12.42,-13.07,;11.08,-12.3,;9.76,-13.07,;9.74,-14.6,;8.28,-12.65,;7.86,-14.13,;6.75,-12.65,;7.86,-11.17,;7.51,-9.8,;8.81,-9.86,;6.4,-10.51,;13.17,-11.73,;11.85,-10.53,;14.81,-12.35,;13.15,-10.19,)|
CCC(O)(C(=O)NC1C2CC3CC(C2)CC1C3)C(F)(F)F |TLB:6:7:10.9.16:12.13.14,6:7:16:12.14.11,13:8:16:12.14.11,13:12:7.8.9:16,THB:11:10:7:12.13.14,11:12:7:10.9.16,(7.02,-14.61,;8.52,-14.21,;8.92,-12.73,;7.39,-12.73,;10.41,-13.13,;10.41,-14.64,;11.75,-12.37,;13.08,-13.15,;13.83,-11.8,;15.47,-12.41,;16.73,-12,;16.48,-10.25,;15.14,-9.49,;13.83,-10.27,;14.24,-11.19,;14.24,-12.73,;15.98,-13.34,;8.52,-11.22,;8.15,-9.85,;9.45,-9.91,;7.04,-10.57,)|
CCC(C)(O)C(=O)Nc1ccccc1Cl
C[C@H]1CN([C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1cccc2ccccc12
[H]C12CC3([H])CC([H])(C1)C(NC(=O)[C@@](C)(O)C(F)(F)F)C([H])(C2)C3 |r,wU:13.15,wD:13.14,TLB:10:9:8:3.5.2,23:20:8:3.5.2,THB:2:1:9:3.23.5,2:3:9:1.22.8,10:9:1.22.8:3.23.5,23:3:9.20.22:8,(17.73,-11.74,;16.06,-11.92,;15.8,-10.19,;14.49,-9.43,;15.33,-7.94,;13.57,-11.12,;13.59,-12.65,;13.19,-14.33,;15.29,-13.26,;12.42,-13.07,;11.08,-12.3,;9.76,-13.07,;9.74,-14.6,;8.28,-12.65,;7.86,-14.13,;6.75,-12.65,;7.86,-11.17,;7.51,-9.8,;8.81,-9.86,;6.4,-10.51,;13.17,-11.73,;11.85,-10.53,;14.81,-12.35,;13.15,-10.19,)|
CC(C)[C@H]1CN([C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F)C(=O)c1ccc(cc1)C#N
C[C@@H]1CN([C@@H](C)CN1\C(Oc1ccccc1)=N\C#N)C(=O)[C@@](C)(O)C(F)(F)F
OC1(CC1)C(=O)N1CCC(Cc2ccccc2)CC1
C[C@@H]1CN([C@@H](C)CN1C(=O)C1CCCCC1)C(=O)[C@@](C)(O)C(F)(F)F
C[C@@H]1CN(CCN1C(=O)C1CCCCC1)C(=O)[C@@](C)(O)C(F)(F)F
CCCC1CCN(CC1)C(=O)[C@@](C)(O)C(F)(F)F |r|
C[C@@H]1CN(CCN1C(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F
C[C@@](O)(C(=O)N1CCN(CC1)c1cc(ccn1)[N+]([O-])=O)C(F)(F)F
CC(C)(C)C(=O)N1CCC(Cc2ccccc2)CC1
CCCCN(Cc1ccncc1)C(=O)c1cc(n[nH]1)-c1ccccc1O
CN(Cc1cnc2ccccn12)C(=O)c1cc(COc2ccc3OCOc3c2)[nH]n1
OCCn1nc(nc1[C@@H]1CCCCN1Cc1ccccc1)C1CCOCC1 |r|
CC(C(O)=O)n1cc(cn1)-c1cccc2c1C(=O)c1ccccc1C2(O)C(F)(F)F
CC(C)(C)OC(=O)N1CCC(=CC1)c1cccc2C(=O)c3ccccc3C(=O)c12 |c:10|
O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CC(C)NC(=O)COc1coc(CN2CCN(CC2)c2ccccc2F)cc1=O
CC(=O)Nc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(cc2)C(=O)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc2ccccc2c1)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1cnc(Br)s1)C(=O)c1ccc(O)cc1O
CC(=O)Nc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(cc2)C(=O)NC2CC2)cc1
CN(C)C(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Br)o1)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(O)cc1)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1ccco1)C(=O)c1ccc(O)cc1O
CNC(=O)c1ccc(cc1)N(Cc1ccc(NC(C)=O)cc1)C(=O)c1ccc(O)cc1O
CC(=O)Nc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(cc2)C(=O)NCCO)cc1
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(NC(C)=O)cc1)C(=O)c1ccc(O)cc1O
CC(=O)Nc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(cc2)C(=O)N2CCCC2)cc1
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(F)cc1)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Cl)cc1)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(cc1)C(F)(F)F)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(cc1)[N+]([O-])=O)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(CC(C)(C)C)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(CC1CCCCC1)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Cl)o1)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(I)o1)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1ncc(Br)s1)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1cc(Br)cs1)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(Br)s1)C(=O)c1ccc(O)cc1O
CC(=O)Nc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(cc2)C(O)=O)cc1
CC(=O)Nc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(cc2)C(=O)N2CCCCC2)cc1
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(F)cc1)C(=O)c1ccc(O)cc1
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(C)o1)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(s1)C#N)C(=O)c1ccc(O)cc1O
CN(C)C(=O)c1ccc(cc1)N(Cc1ccc(cc1)C#N)C(=O)c1ccc(O)cc1O
C[C@H]1CCc2c(C1)sc1nc(SCCN3CCCC3)n(N)c(=O)c21 |r|
CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
Cc1cccc(NC(=O)CSc2n[nH]c(n2)-c2ccccc2O)c1C
CC(C)(CO)c1ccc(Nc2ccc(cc2[N+]([O-])=O)C(=O)C(Cl)Cl)cc1
CC1(C)C(=O)Nc2ccccc12
c1ccc2c(c1)CC(=O)N2
COC(=O)c1ccc(cc1O)O
CC1(C)C(=O)Nc2c1cccc2C1CC1
CC1(C)C(=O)Nc2c1cccc2N
CC1(c2cccc(c2NC1=O)NC)C
Cc1cnc2[nH]c3c(cccc3c2c1)C1CC1
Cc1cnc2[nH]c3c(cccc3c2n1)C1CC1
CCCc1[nH]c2nc(C)ncc2c1Cl
CCCc1c(c2cnc(nc2[nH]1)C)Br
C\C=C\c1[nH]c2nc(C)nc(Cl)c2c1Cl
CCc1cccc2c1NC(=O)C2(C)C
C1CC1c1cccc2c3cccnc3[nH]c12
CCCc1[nH]c2nc(C)ncc2c1C#N
CCCc1[nH]c2nc(C)ncc2c1C
CCCc1[nH]c2nc(C)nc(Cl)c2c1C
CNC(=O)c1[nH]c2nc(C)nc(Cl)c2c1C
CNC(=O)c1[nH]c2nc(C)nc(Cl)c2c1Br
Cc1ccc2c3cccc(c3[nH]c2n1)C4CC4
CNC(=O)c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)C(=O)OC
Cc1nc2[nH]c3c(cccc3c2cc1-c1ccccc1)C1CC1
Cc1nc2[nH]c3c(cccc3c2cc1-c1ccccn1)C1CC1
Cc1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
CCc1nnc(s1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
CCc1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
CC(C)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
CCCc1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
CC(C)Cc1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
CC(C)C(C)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1O
CC(C)C(NC(=O)CCc1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
CC(C)C(CC(=O)NCc1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1
Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)c5nnc(o5)[C@@H](CC(=O)N[C@H](C)c6ccccc6)C(C)C
Cc1nc(N2CCCC2)c2c(n1)[nH]c1c(cccc21)C1CC1
CCC1CCCN1c1nc(C)nc2[nH]c3c(cccc3c12)C1CC1
Cc1nc(N2CCC[C@H]2CO)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
Cc1nc(N2CCC[C@@H]2CO)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
Cc1nc(N2C[C@@H](C[C@H]2CO)c2ccccc2)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
Cc1nc(N2C[C@H](Cc3ccccc3)C[C@H]2CO)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
Cc1nc(N2C[C@](CO)(Cc3ccccc3)C[C@H]2CO)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
Cc1nc(N2C[C@](Cc3ccccc3)(C[C@H]2CO)C(N)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
CC[C@@H]1C[C@@H](CN1c1nc(C)nc2[nH]c3c(cccc3c12)C1CC1)c1ccc([nH]1)C(O)=O |r|
Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(O)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(N)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r|
Cc1cc(C)c(S(=O)(=O)NCCO)cc1NS(=O)(=O)c1ccc(Cl)cc1
CN(C)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 |r|
Cc1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)-c1cnn(CCO)c1