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43 SMILES Strings for Beta-lactamase TEM

Compound NameSMILES String
BDBM50053173 C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
BDBM50088816 COC(=O)C(\Cl)=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:7|
BDBM50088817 [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)C#N |t:3|
BDBM50088818 COCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:3|
BDBM50088819 CCC(=O)OCC1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
BDBM50088821 NC(=O)\C=C\C1=C(N2C(\C(=C/c3cccs3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50088822 [O-]C(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50088823 Oc1ccc(CC(=O)OCC2=C(N3C(\C(=C/c4ccccn4)C3=O)S(=O)(=O)C2)C([O-])=O)cc1O |t:10|
BDBM50088824 [O-]C(=O)C1=C(COC(=O)COc2ccccc2)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50088825 [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\[N+]([O-])=O |t:3|
BDBM50088826 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\c1ccccn1 |t:3|
BDBM50088827 [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\C#N |t:3|
BDBM50088828 [O-]C(=O)C1=C(CC#N)CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1 |c:3|
BDBM50088829 [O-]C(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
BDBM50088831 NC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:5|
BDBM50088832 CCOC(=O)CNC(=O)OCC1=C(N2C(C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |w:16.16,t:11|
BDBM50088833 [O-]C(=O)C1=C(CS(=O)(=O)C2N1C(=O)\C2=C\c1ccccn1)\C=C\C=C |t:3|
BDBM50088834 COC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:6|
BDBM50088835 [O-]C(=O)C1=C(CS(=O)(=O)[C@H]2N1C(=O)\C2=C\c1ccccn1)\C=C\c1cccc[n+]1[O-] |t:3|
BDBM50088836 NC(=O)OCC1=C(N2C(C(=Cc3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |w:10.10,t:5|
BDBM50088837 COC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:6|
BDBM50092280 CCN1C(=S)S\C(=C/c2ccccc2)C1=O
BDBM50092281 SC1=NC(=O)C(S1)=C1C(=O)Nc2ccccc12 |w:5.4,t:1|
BDBM50092282 SC1=NC(=O)C(S1)=CC=Cc1ccco1 |w:9.10,7.8,t:1|
BDBM50092283 [O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)cc1 |w:9.8,7.6,c:13|
BDBM50092284 [O-][N+](=O)c1ccc(C=CC=C2SC(S)=NC2=O)o1 |w:7.6,9.8,c:13|
BDBM50092285 SC1=NC(=O)C(S1)=Cc1ccc(cc1)C#N |w:7.8,t:1|
BDBM50092286 CN(C)c1ccc(C=CC=C2SC(S)=NC2=O)cc1 |w:9.8,7.6,c:13|
BDBM50092287 OC(=O)CN1C(=S)S\C(=C/c2ccccc2)C1=O
BDBM50092288 O=C1N(CNc2nncs2)C(=S)S\C1=C/c1ccccc1
BDBM50092267 O=C1N(CNc2nnn[nH]2)C(=S)SC1=Cc1ccccc1 |w:14.16|
BDBM50092268 [O-][N+](=O)c1ccc(C=C2SC(S)=NC2=O)cc1 |w:7.6,c:11|
BDBM50092269 OC1=NC(=O)C(S1)=CC=Cc1ccc(o1)[N+]([O-])=O |w:9.10,7.8,t:1|
BDBM50092270 SC1=NC(=O)C(S1)=Cc1cn(cn1)-c1ccccc1 |w:7.8,t:1|
BDBM50092271 SC1=NC(=O)C(S1)=Cc1ccccc1 |w:7.8,t:1|
BDBM50092272 OC(=O)c1ccccc1C=C1SC(S)=NC1=O |w:9.9,c:14|
BDBM50092273 Oc1ccccc1C=C1SC(S)=NC1=O |w:7.7,c:12|
BDBM50092274 CC(=O)Nc1ccccc1C=C1SC(S)=NC1=O |w:10.10,c:15|
BDBM50092275 SC1=NC(=O)C(S1)=Cc1cn(nn1)-c1ccccc1 |w:7.8,t:1|
BDBM50092276 SC1=NC(=O)C(S1)=CC=Cc1ccccc1 |w:7.8,9.10,t:1|
BDBM50092278 [O-][N+](=O)c1ccccc1C=C1SC(S)=NC1=O |w:9.9,c:14|
BDBM50092279 Oc1nc(S)sc1C=CCc1ccccc1 |w:8.9|
BDBM50157692 C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O[Na] |r|