144 SMILES Strings for Cystathionine gamma-lyase
Compound Name
SMILES String
Brc1cccc(NC(=O)CSC(=S)N\N=C\c2ccccn2)c1
C1CCC(C1)=NNc1nnn[nH]1 |(3.47,-2.4,;4.37,-1.16,;3.47,.09,;2,-.39,;2,-1.93,;.67,.38,;-.67,-.39,;-2,.38,;-3.47,-.09,;-4.37,1.15,;-3.47,2.4,;-2,1.92,)|
C1CCC(CC1)=NNc1nnn[nH]1 |(4.52,-1.78,;3.19,-2.55,;1.85,-1.78,;1.85,-.24,;3.19,.53,;4.52,-.24,;.52,.53,;-.82,-.24,;-2.15,.53,;-3.61,.06,;-4.52,1.3,;-3.61,2.55,;-2.15,2.07,)|
C1Oc2ccc(\C=N\Nc3nnn[nH]3)cc2O1
CC(C)(C)c1ccc(NC(=O)CSC(=S)N\N=C\c2cccc(Br)n2)cc1
CC(C)(C)c1ccc(NC(=O)CSC(=S)N\N=C\c2ccccn2)cc1
CC(C)(C)c1ccc(NC(=O)CSC(=S)N\N=C\c2cccnc2)cc1
CC(C)(C)c1ccc(NC(=O)CSC(=S)N\N=C\c2ccncc2)cc1
CC(C)(C)c1ccc(NC(=O)CSC(=S)N\N=C\c2cnccn2)cc1
CC(C)(C)c1ccc(NC(=O)CSC(=S)N\N=C\c2ncccc2F)cc1
CC(C)(S)[C@@H](N)C(O)=O
CC(C)=NNc1nnn[nH]1 |(3.85,.15,;2.52,-.62,;2.52,-2.16,;1.18,.15,;-.15,-.62,;-1.48,.15,;-2.95,-.33,;-3.85,.92,;-2.95,2.16,;-1.48,1.69,)|
CC(C)CN(N)c1nnn[nH]1
CC(C)N(N)c1nnn[nH]1
CC1=C\C(C=C(C(O)=O)C1=O)=C(/c1cc(C)c(O)c(c1)C(O)=O)c1c(Cl)ccc(c1Cl)S(O)(=O)=O |t:1,4|
CC1=C\C(C=C(C(O)=O)C1=O)=C(/c1cc(C)c(O)c(c1)C(O)=O)c1c(Cl)cccc1Cl |t:1,4|
CC1OC2CC(=O)OC2C2=C1C(=O)c1c(O)cccc1C2=O |c:10|
CCCN(N)c1nnn[nH]1
CCN(CC)c1ccc(\C=N\Nc2nnn[nH]2)cc1
CCN(N)C(=O)NS(=O)(=O)c1ccccc1
CCN(N)C(=O)Nc1nnn[nH]1
CCN(N)C(=O)c1nnn[nH]1
CCN(N)c1ncn[nH]1
CCN(N)c1nnn[nH]1
CCNC1=CC(=O)c2ncccc2C1=O |t:3|
CC\C(C)=N\Nc1nnn[nH]1
CN(C)CCCN(N)c1nnn[nH]1
CN(C)CCN(N)c1nnn[nH]1
CN(C)c1ccc(CNNc2nnn[nH]2)cc1
CN(C)c1ccc(\C=N\N(C)c2nnn[nH]2)cc1
CN(C)c1ccc(\C=N\Nc2nnn[nH]2)cc1
CN(C)c1ccc(cc1)C(=O)C\C=N\Nc1nnn[nH]1
CN(C)c1ccc(cc1)C(\C)=N\Nc1nnn[nH]1
CN(N)c1nnn(C)n1
CN(N)c1nnn[nH]1
CN(N)c1noc(=O)[nH]1
CN(N=C(C)C)c1nnn[nH]1 |(-.15,-2.16,;-.15,-.62,;1.18,.15,;2.52,-.62,;2.52,-2.16,;3.85,.15,;-1.48,.15,;-2.95,-.33,;-3.85,.92,;-2.95,2.16,;-1.48,1.69,)|
CN1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:8|
CNCCCN(N)c1nnn[nH]1
CNCCN(N)c1nnn[nH]1
COC1=CC(=O)C(CC(=O)Cc2ccc(O)c(OC)c2)=C(C1=O)c1cc(CCCc2ccc(O)c(OC)c2)c(OC)cc1O |c:20,t:2|
COCCCN(N)c1nnn[nH]1
COCCN(N)c1nnn[nH]1
COc1cc(CC=C(c2cc(O)c(OC)cc2O)c2c(OC)cc3OC(CCc3c2O)c2ccc(O)c(O)c2)ccc1O |w:6.5|
COc1cc(CC=C(c2cc(O)c(OC)cc2O)c2c(OC)cc3OC(CCc3c2O)c2ccc(O)c(OC)c2)ccc1O |w:6.5|
COc1cc(CCCc2cc(C(=CCc3ccc(O)c(OC)c3)c3cc(O)c(OC)cc3O)c(OC)cc2O)ccc1O |w:12.12|
COc1cc(CCCc2cc(C(CCc3ccc(O)c(OC)c3)c3cc(O)c(OC)cc3OC)c(O)cc2OC)ccc1O
COc1cc(CCCc2cc(C(CCc3ccc(O)c(OC)c3)c3cc(OC)c(OC)cc3O)c(O)cc2OC)ccc1O
COc1cc(CCCc2cc(C(CCc3ccc(O)c(OC)c3)c3cc(OC)c(OC)cc3O)c(OC)cc2O)ccc1O
COc1cc(CCCc2ccc(O)cc2OC)ccc1O
COc1cc(CCCc2ccc(OC)c(O)c2OC)ccc1O
COc1cc(OC)c2CC[C@@H](Oc2c1)c1ccc(O)c(O)c1 |r|
COc1ccc(C(CCc2ccc(O)c(OC)c2)c2cc(CCCc3ccc(O)c(OC)c3)c(O)cc2OC)c(O)c1
COc1ccc(CCCc2ccc(O)c(OC)c2)c(O)c1
COc1ccc(NC(=O)CSC(=S)N\N=C\c2ccc(Br)cn2)cc1
COc1ccc(NC(=O)CSC(=S)N\N=C\c2cccc(C)n2)cc1
COc1ccc(NC(=O)CSC(=S)N\N=C\c2ccccn2)cc1
COc1ccc(NC(=O)CSC(=S)N\N=C\c2cscn2)cc1
COc1ccc(NC(=O)CSC(=S)N\N=C\c2ncccc2F)cc1
COc1ccc(NC(=O)CSC(=S)N\N=C\c2nn(C)cc2Cl)cc1
COc1ccc2CC[C@@H](Oc2c1)c1ccc(O)c(O)c1 |r|
COc1cccc2C(=O)C3=C([C@H](C)O[C@@H](CC(O)=O)C3)C(=O)c12 |r,t:9|
CS(=O)(=O)NC(=O)[C@@H](N)CC#C |r|
CSC(=S)NN=C(C)c1ccccn1 |w:5.4|
CSC(=S)N\N=C\c1c[nH]c2ccccc12
CSC(=S)N\N=C\c1cc2ccccc2n1C
CSC(=S)N\N=C\c1cc[nH]n1
CSC(=S)N\N=C\c1ccc(Br)cn1
CSC(=S)N\N=C\c1cccc(Br)n1
CSC(=S)N\N=C\c1cccc(C)n1
CSC(=S)N\N=C\c1ccccn1
CSC(=S)N\N=C\c1cccnc1
CSC(=S)N\N=C\c1ccncc1
CSC(=S)N\N=C\c1cnccn1
CSC(=S)N\N=C\c1cscn1
CSC(=S)N\N=C\c1ncccc1C
CSC(=S)N\N=C\c1ncccc1F
CSC(=S)N\N=C\c1nn(C)cc1Cl
CSC1=NNC(S1)c1ccccn1 |t:2|
C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O
Cc1ccc(NC(=O)CSC(=S)N\N=C\c2cccc(Br)n2)cc1
Cc1ccc(NC(=O)CSC(=S)N\N=C\c2cccc(C)n2)cc1
Cc1ccc(NC(=O)CSC(=S)N\N=C\c2ccccn2)cc1
Cc1ccc(NC(=O)CSC(=S)N\N=C\c2cccnc2)cc1
Cc1ccc(NC(=O)CSC(=S)N\N=C\c2ncccc2C)cc1
Cc1ccc(NC(=O)CSC(=S)N\N=C\c2ncccc2F)cc1
Cc1ccc(NC(=O)CSC(=S)N\N=C\c2nn(C)cc2Cl)cc1
Cc1ccc(cc1)[S+]([O-])c1ccc([N+]([O-])=O)c2nonc12
Cc1cccc(\C=N\NC(=S)SCC(=O)Nc2ccc(cc2)C(C)(C)C)n1
Cc1nc2c(N)nc(N)nc2nc1O
ClC1=C(N2CCN(CC2)C2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O |c:1,10|
ClC1=C(NCCCCCCNC2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O |c:1,11|
ClC1=C(NCCN2CCNCC2)C(=O)c2ccccc2C1=O |c:1|
ClC1C(\N=C2\C=CC(=O)C(Cl)=C2)C(=O)c2ccccc2C1=O |c:5,10|
Clc1ccc(Nc2nc3c(s2)C(=O)c2ccccc2C3=O)cc1
Clc1ccc(\C=N\Nc2nnn[nH]2)c(Cl)c1
Clc1ccc(\C=N\Nc2nnn[nH]2)cc1
Cn1cc(Cl)c(\C=N\NC(=S)SCC(=O)Nc2ccc(cc2)C(C)(C)C)n1
Fc1ccc(NC(=O)CSC(=S)N\N=C\c2ccccn2)cc1
Fc1cccnc1\C=N\NC(=S)SCC(=O)Nc1ccc(cc1)C(F)(F)F
N(\N=C\c1ccccc1)c1nnn[nH]1
N(\N=C\c1ccco1)c1nnn[nH]1
NC(CC#C)C(O)=O
NC(CC#N)C(O)=O
NC(CC#N)[N]1=NN=NC1 |c:7,t:5|
NC1=C(Br)C(=O)c2ncccc2C1=O |c:1|
NC1=C(Cl)C(=O)c2ncccc2C1=O |c:1|
NC1=CC(=N)c2ccc(=O)[nH]c2C1=O |t:1|
NC1=CC(=O)c2cccnc2C1=O |t:1|
NCCCN(N)c1nnn[nH]1
NCCN(N)c1nnn[nH]1
NCCO\C=C\[C@H](N)C(O)=O
NN(CC#C)c1nnn[nH]1
NN(CCCc1nnn[nH]1)c1nnn[nH]1
NN(Cc1ccccc1)c1nnn[nH]1
NNCC(O)=O
NNc1nnn[nH]1
N[C@@H](CC#C)C(=O)NS(=O)(=O)c1ccccc1 |r|
N[C@@H](CC#C)C(=O)Nc1nn[nH]n1 |r|
N[C@@H](CC#C)C(O)=O
N[C@@H](CC#C)[N]1=NN=NC1 |r,c:7,t:5|
N[C@@H](CC#C)c1nc(N)n[nH]1 |r|
N[C@@H](CC#C)c1nc(n[nH]1)C(F)(F)F |r|
N[C@@H](CC#C)c1ncn[nH]1 |r|
N[C@@H](CC#C)c1noc(=O)[nH]1 |r|
N[C@@H](CC#N)C(O)=O |r|
N[C@H](CC#C)C(O)=O
Nc1ccc(Cc2ccc(NC3C(Cl)C(=O)c4ccccc4C3=O)cc2)cc1
Nc1ccc(O)c(c1)C(O)=O
O=C(CSC(=S)N\N=C\c1ccccn1)Nc1ccccc1
O=C(NCC#C)[C@H]1CSC(=O)N1 |r|
OC(=O)C1=C\C(=C(/c2ccccc2)c2cc(C(O)=O)c(O)c3ccccc23)c2ccccc2C1=O |t:3|
OC(=O)c1cc(ccc1O)\N=N\c1ccc(O)c(c1)C(O)=O
OC(=O)c1ccccc1O
Oc1ccc(O)c(\C=C/NC=O)c1
Oc1ccc([N+]([O-])=O)c2cccnc12
Oc1ccc(\C=N\Nc2nnn[nH]2)cc1
Oc1ccc2ccccc2c1\C=N\Nc1nnn[nH]1
[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6](-[#8])=O)-[#6]-1=O)=[#6](/c1cc(-[#6])c(-[#8])c(c1)-[#6](-[#8])=O)-c1cc(-[#6])c(-[#8])c(c1)-[#6](-[#8])=O |t:1,4|
[#6]-[#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](/c1ccc(-[#8])c(c1)-[#6](=O)-[#8]-[#6])-c1ccc(-[#8])c(c1)-[#6](=O)-[#8]-[#6] |c:7,t:4|
[#6]\[#6](-[#6])=[#7]\[#7]-[#6]-[#6](-[#8])=O
[#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](-[#8])=O)-c1ccc(-[#8])c(c1)-[#6](-[#8])=O |c:6,t:3|
[O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12
[O-][N+](=O)c1ccc(\C=N\Nc2nnn[nH]2)cc1