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54 SMILES Strings for 3-dehydroquinate dehydratase

Compound NameSMILES String
BDBM14672 OC(=O)CC(O)(CC(O)=O)C(O)=O
BDBM50137053 O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccc(F)cc1)C(O)=O |c:5|
BDBM50137054 O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccc(cc1)[N+]([O-])=O)C(O)=O |c:5|
BDBM50137055 O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1cccc(F)c1)C(O)=O |c:5|
BDBM50137056 O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccc(cc1)C(O)=O)C(O)=O |c:5|
BDBM50137057 O[C@@H]1C[C@@](OCc2ccccc2)(C=C[C@H]1O)C(O)=O |c:13|
BDBM50137058 OCc1ccc(CO[C@@H]2C=C[C@](O)(C[C@H]2O)C(O)=O)cc1 |c:9|
BDBM50137059 O[C@@H]1C[C@@](OCc2ccc(cc2)C(O)=O)(C=C[C@H]1O)C(O)=O |c:16|
BDBM50137060 O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccc(cc1)C#N)C(O)=O |c:5|
BDBM50137061 O[C@@H]1C[C@@](OCc2ccc(cc2)[N+]([O-])=O)(C=C[C@H]1O)C(O)=O |c:16|
BDBM50137062 O[C@@H]1C[C@@](OCc2ccccc2F)(C=C[C@H]1O)C(O)=O |c:14|
BDBM50137063 O[C@@H]1C[C@@](OCc2ccc(F)cc2)(C=C[C@H]1O)C(O)=O |c:14|
BDBM50137064 OCc1ccc(CO[C@@]2(C[C@@H](O)[C@H](O)C=C2)C(O)=O)cc1 |c:14|
BDBM50137065 O[C@@H]1C[C@@](OCc2cccc(F)c2)(C=C[C@H]1O)C(O)=O |c:14|
BDBM50137066 O[C@@H]1C[C@@](OCc2ccccc2[N+]([O-])=O)(C=C[C@H]1O)C(O)=O |c:16|
BDBM50137067 O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccccc1)C(O)=O |c:5|
BDBM50137068 O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccccc1F)C(O)=O |c:5|
BDBM50137069 O[C@@H]1C[C@@](OCc2ccc(cc2)C#N)(C=C[C@H]1O)C(O)=O |c:15|
BDBM50137070 O[C@@H]1C[C@@](O)(C=C[C@H]1OCc1ccccc1[N+]([O-])=O)C(O)=O |c:5|
BDBM50170812 O[C@@H]1C[C@@](O)(C=C[C@H]1O)C(O)=O |c:5|
BDBM50170813 O[C@@H]1C[C@@](O)(C=C(F)[C@H]1O)C(O)=O |t:5|
BDBM50170814 O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1ccoc1)C(O)=O |c:5|
BDBM50170800 O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1cccnc1)C(O)=O |c:5|
BDBM50170801 O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1cccc(c1)C(F)(F)F)C(O)=O |c:5|
BDBM50170805 O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1ccc(cc1)C(F)(F)F)C(O)=O |c:5|
BDBM50170806 O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1cccc(c1)C(O)=O)C(O)=O |c:5|
BDBM50170802 O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1cccc(F)c1)C(O)=O |c:5|
BDBM50170803 O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1ccc(F)cc1)C(O)=O |c:5|
BDBM50170804 O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1ccsc1)C(O)=O |c:5|
BDBM50170809 O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1cccc(c1)[N+]([O-])=O)C(O)=O |c:5|
BDBM50170807 O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1cc(F)cc(F)c1)C(O)=O |c:5|
BDBM50170808 O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1ccccc1)C(O)=O |c:5|
BDBM50170810 ONC1C[C@](O)(CC(=O)[C@@H]1O)C(O)=O
BDBM50170811 O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1cccc(O)c1)C(O)=O |c:5|
BDBM50182477 O=c1c2ccccc2oc2ccc(cc12)S(=O)(=O)Nc1nnn[nH]1
BDBM50303443 O[C@@H]1C[C@@](O)(C=C(OCc2cccs2)[C@H]1O)C([O-])=O |r,t:5|
BDBM50303444 Cc1ccc2sc(COC3=C[C@](O)(C[C@@H](O)[C@@H]3O)C([O-])=O)cc2c1 |r,t:9|
BDBM50303445 O[C@@H]1C[C@@](O)(C=C(OCc2cc3ccccc3s2)[C@H]1O)C([O-])=O |r,t:5|
BDBM50303446 O[C@@H]1C[C@@](O)(C=C(OCc2ccc3sccc3c2)[C@H]1O)C([O-])=O |r,t:5|
BDBM50352020 Cc1ccc2sc(COC3=C(Cc4cc5cc(C)ccc5s4)[C@](O)(C[C@@H](O)[C@@H]3O)C([O-])=O)cc2c1 |r,c:9|
BDBM50352021 O[C@@H]1C[C@](O)(C([O-])=O)C(Cc2ccc3sccc3c2)=C(OCc2ccc3sccc3c2)[C@H]1O |r,t:20|
BDBM50352022 O[C@@H]1C[C@](O)(C([O-])=O)C(Cc2ccc3ccccc3c2)=C(OCc2ccc3ccccc3c2)[C@H]1O |r,t:21|
BDBM50352023 O[C@@H]1C[C@](O)(C([O-])=O)C(Cc2cccs2)=C(OCc2cccs2)[C@H]1O |r,t:15|
BDBM50352024 O[C@@H]1C[C@](O)(C([O-])=O)C(CC=C)=C(OCc2cc3ccccc3s2)[C@H]1O |r,t:11|
BDBM50352025 O[C@@H]1C[C@](O)(C([O-])=O)C(Cc2cccs2)=C(OCc2cc3ccccc3s2)[C@H]1O |r,t:15|
BDBM50352026 Cc1ccc2sc(CC3=C(OCc4cccs4)[C@@H](O)[C@H](O)C[C@]3(O)C([O-])=O)cc2c1 |r,c:8|
BDBM50352027 O[C@@H]1C[C@](O)(C([O-])=O)C(Cc2ccc3sccc3c2)=C(OCc2cccs2)[C@H]1O |r,t:20|
BDBM50352028 O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1cccs1)C(O)=O |r,c:5|
BDBM50352029 O[C@@H]1C[C@@](O)(C=C(\C=C\COc2ccc(F)cc2)[C@H]1O)C(O)=O |r,t:5|
BDBM50352030 O[C@@H]1C[C@@](O)(C=C([C@H]1O)c1cn(nn1)-c1ccccc1)C(O)=O |r,c:5|
BDBM50352031 O[C@@H]1C[C@@](O)(C=C(OCc2cc3ccc(Cl)cc3s2)[C@H]1O)C([O-])=O |r,t:5|
BDBM50352032 O[C@@H]1C[C@@](O)(C=C(OCc2ccc3ccccc3c2)[C@H]1O)C([O-])=O |r,t:5|
BDBM50352033 O[C@@H]1C[C@](O)(C([O-])=O)C(Cc2cc3ccccc3s2)=C(OCc2cc3ccccc3s2)[C@H]1O |r,t:20|
BDBM50352034 O[C@@H]1C[C@](O)(C([O-])=O)C(Cc2cc3ccc(Cl)cc3s2)=C(OCc2cc3ccc(Cl)cc3s2)[C@H]1O |r,t:21|