130 SMILES Strings for Aldehyde dehydrogenase, dimeric NADP-preferring

Compound Name
SMILES String
CC(=O)Nc1ccc(cc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)C
CNS(=O)(=O)c1ccc(Nc2ccc(F)cc2)c(c1)[N+]([O-])=O
CN(C)c1ccc(Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)C(F)(F)F)cc1
CS(=O)(=O)c1ccc(Nc2ccc(NCC3CCCC3)cc2)c(c1)S(C)(=O)=O
Cc1ccc(Nc2ccc(cc2[N+]([O-])=O)S(C)(=O)=O)cc1F
CC(C)NS(=O)(=O)c1ccc(Nc2cccc(NC3CC3)c2)c(c1)[N+]([O-])=O
CNS(=O)(=O)c1ccc(Nc2ccc(OC)cc2)c(c1)[N+]([O-])=O
CNS(=O)(=O)c1ccc(Nc2ccc(OC(F)F)cc2)c(c1)[N+]([O-])=O
CC(C)C(=O)Nc1ccc(Nc2ccc(cc2[N+]([O-])=O)S(C)(=O)=O)cc1
CNS(=O)(=O)c1ccc(Nc2ccc(NC(=O)CC(C)C)cc2)c(c1)[N+]([O-])=O
CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(NC(=O)C(C)C)cc2)c(c1)[N+]([O-])=O
CS(=O)(=O)c1ccc(Nc2ccc3CCCc3c2)c(c1)[N+]([O-])=O
CC(C)NS(=O)(=O)c1ccc(Nc2ccc3CCCc3c2)c(c1)[N+]([O-])=O
CC(C)NS(=O)(=O)c1ccc(NC2CCN(CC(=O)Nc3ccccc3)CC2)c(c1)[N+]([O-])=O
CC(=O)Nc1ccc(Oc2ccc(cc2[N+]([O-])=O)S(=O)(=O)C(F)(F)F)cc1
O=S(=O)(c1ccccc1)n1cnc2ccccc12
Cc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
CC(=O)Nc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
CC(C)Cc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
Clc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
Fc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
Cc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1
Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
CC(=O)Nc1ccc(cc1)S(=O)(=O)n1c(C)nc2ccccc12
Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
CC(=O)c1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Clc1ccc(cc1)S(=O)(=O)n1c(nc2ccccc12)N1CCCCC1
Clc1ccc(cc1)S(=O)(=O)n1c(Cc2ccccc2)nc2ccccc12
COc1ccc(cc1)S(=O)(=O)n1cnc2cc(ccc12)[N+]([O-])=O
Cc1cc2ncn(c2cc1C)S(=O)(=O)c1ccc(F)cc1
COc1cc(F)ccc1S(=O)(=O)n1cnc2ccccc12
Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1Br
Fc1ccc(cc1F)S(=O)(=O)n1cnc2ccccc12
Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(C)c1
COc1ccc(cc1C)S(=O)(=O)n1c(C)nc2ccccc12
COc1cc(ccc1Cl)S(=O)(=O)n1c(C)nc2ccccc12
COc1cc(ccc1F)S(=O)(=O)n1c(C)nc2ccccc12
COc1cc(F)ccc1S(=O)(=O)n1c(C)nc2ccccc12
Cc1nc2ccccc2n1S(=O)(=O)c3ccc(cc3)F
CC(=O)Nc1ccc(Nc2ccc(cc2[N+](O)=O)S(C)(=O)=O)cc1
CNS(=O)(=O)c1ccc(Nc2ccc(F)cc2)c(c1)[N+](O)=O
CN(C)c1ccc(Nc2ccc(cc2[N+](O)=O)S(=O)(=O)C(F)(F)F)cc1
Cc1ccc(Nc2ccc(cc2[N+](O)=O)S(C)(=O)=O)cc1F
CC(C)Nc1cccc(Nc2ccc(cc2[N+](O)=O)S(=O)(=O)NC(C)C)c1
CNS(=O)(=O)c1ccc(Nc2ccc(OC)cc2)c(c1)[N+](O)=O
CNS(=O)(=O)c1ccc(Nc2ccc(OC(F)F)cc2)c(c1)[N+](O)=O
CC(C)C(=O)Nc1ccc(Nc2ccc(cc2[N+](O)=O)S(C)(=O)=O)cc1
CNS(=O)(=O)c1ccc(Nc2ccc(NC(=O)CC(C)C)cc2)c(c1)[N+](O)=O
CS(=O)(=O)c1ccc(Nc2ccc3CCCc3c2)c(c1)[N+](O)=O
CC(C)NS(=O)(=O)c1ccc(Nc2ccc3CCCc3c2)c(c1)[N+](O)=O
CC(C)NS(=O)(=O)c1ccc(NC2CCN(CC(=O)Nc3ccccc3)CC2)c(c1)[N+](O)=O
CC(=O)Nc1ccc(Oc2ccc(cc2[N+](O)=O)S(=O)(=O)C(F)(F)F)cc1
CCCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccc(OC)cc2)n1
CCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccc(OC)cc2)n1
CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc12
CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccncc2)c2ccccc12
Cc1ccc(cc1)S(=O)(=O)NC(O)C(=O)c1cccs1
OC(NC(=O)c1cccnc1)C(=O)c1cccs1
OC(NC(=O)c1ccncc1)C(=O)c1cccs1
O=C1Nc2ccccc2C11Oc2ccccc2C2CC(=NN12)c1ccccc1 |c:22|
CCn1c(cs\c1=N\c1ccccc1)-c1ccc(OC)c(F)c1
CCCC1C(C#N)=C(NC(C)=C1C(C)=O)SCC(=O)c1ccc(Br)cc1 |c:6,10|
Cc1cccc(c1)C(=O)CN1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
Clc1ccc(OCCCCSC#N)cc1
O[N+](=O)c1ccccc1CNc1ccc(F)c(F)c1
CCN(CC)CCC(=O)c1ccc2OCOc2c1
O=C(CCN1CCOCC1)c1ccc2OCCOc2c1
NC(=N)SCc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Br)ccc23)cc1
NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(Br)c23)cc1
NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Cl)ccc23)cc1
NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1
NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(F)ccc23)cc1
NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(F)c23)cc1
NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(ccc23)C(F)(F)F)cc1
NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cccc(c23)C(F)(F)F)cc1
NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c23)cc1
NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(Cl)cc(Cl)c23)cc1
NC(=N)SCc1ccc(CN2C(=O)C(=O)c3cc(F)cc(Br)c23)cc1
NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(Br)ccc23)cc1
NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cccc(Br)c23)cc1
NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(Cl)ccc23)cc1
NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1
NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(F)ccc23)cc1
NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cccc(F)c23)cc1
NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(ccc23)C(F)(F)F)cc1
NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cccc(c23)C(F)(F)F)cc1
NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c23)cc1
NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(Cl)cc(Cl)c23)cc1
NC(=N)[Se]Cc1ccc(CN2C(=O)C(=O)c3cc(F)cc(Br)c23)cc1
Cc1cccc(Cn2c(CN3CCN(CC3)C(=O)C3CC3)nc3ccccc23)c1
CCC(=O)N1CCN(Cc2nc3ccccc3n2Cc2cccc(C)c2)CC1
CC(C)C(=O)N1CCN(Cc2nc3ccccc3n2Cc2cccc(C)c2)CC1
[#6]\[#6](-[#6])=[#6]/[#6]-n1c(-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-2-[#6]-[#6]-2)nc2ccccc12
Clc1ccccc1Cn1c(CN2CCN(CC2)C(=O)C2CC2)nc2ccccc12
Clc1cccc(Cn2c(CN3CCN(CC3)C(=O)C3CC3)nc3ccccc23)c1
FC(F)(F)c1cccc(Cn2c(CN3CCN(CC3)C(=O)C3CC3)nc3ccccc23)c1
CCN(CC)c1ccc(C=O)cc1[N+]([O-])=O
CCCN(CCC)c1ccc(C=O)cc1[N+]([O-])=O
CCN(CC)c1ccc(cc1)C=O
CCCN(CCC)c1ccc(C=O)cc1Br
CCCN(CCC)c1ccc(C=O)cc1Cl
Clc1cc(C=O)ccc1N1CCOCC1
C(c1ccccc1)n1c(nc2ccccc12)-c1ccccc1
Clc1ccc(cc1)S(=O)(=O)n1c(nc2ccccc12)C1CCCCC1
c1ccc(cc1)CN2c3ccccc3C(=O)C2=O
Cc1cc2c(c(c1)Br)NC(=O)C2=O
O=C1N(CN2CCN(CN3C(=O)C(=O)c4ccccc34)C2)c2ccccc2C1=O
Brc1ccc2N(CN3CCN(Cc4ccc5OCOc5c4)CC3)C(=O)C(=O)c2c1
O=C1N(CN2CCN(Cc3ccc4OCOc4c3)CC2)c2ccccc2C1=O
COc1cccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)c1
Clc1cccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)c1
Fc1cccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)c1
Fc1ccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)cc1
Fc1ccccc1CN1CCN(CN2C(=O)C(=O)c3ccccc23)CC1
O=C1N(CN2CCN(Cc3ccccc3)CC2)c2ccccc2C1=O
CN1CCN(CN2C(=O)C(=O)c3ccccc23)CC1
O=C1N(CN2CCOCC2)c2ccccc2C1=O
Clc1ccc2N(C\C=C\c3ccccc3)C(=O)C(=O)c2c1
O=C1N(C\C=C\c2ccccc2)c2ccccc2C1=O
O=C1N(CCCc2ccccc2)c2ccccc2C1=O
Brc1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1
Clc1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1
c1ccc(cc1)CCN2c3ccccc3C(=O)C2=O
Brc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1
Clc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1
CCCCCN1C(=O)C(=O)c2ccccc12
Cn1c2nc(SCC(N)=O)n(Cc3ccccc3F)c2c(=O)n(C)c1=O
Cc1cc(=O)oc2cc3OC(=O)CCc3cc12