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33 SMILES Strings for Beta-lactamase (SHV-1)

Compound NameSMILES String
BDBM50021954 CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
BDBM50021959 OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
BDBM50053173 C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
BDBM178153 COC(=O)C1(C\C=C\c2ccccc2)N2[C@@H](CC2=O)OC1=CC(O)=O |r,w:21.24|
BDBM178189 OCC=CCC1(N2[C@@H](CC2=O)OC1=CC=O)C(=O)OCc1ccccc1 |w:13.15,3.3|
BDBM178205 OCC(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:6.14|
BDBM178194 COC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:6.5,21.24|
BDBM178186 O=CC=C1O[C@@H]2CC(=O)N2C1(CC=Cc1ccccc1)C(=O)OCc1ccccc1 |w:12.13,2.1|
BDBM178145 OC(=O)C=C1O[C@@H]2CC(=O)N2C1(C\C=C\c1ccccc1)C(=O)OCc1ccccc1 |r,w:3.2|
BDBM178163 ICC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4|
BDBM178165 COC(=O)C1N2[C@@H](CC2=O)O\C1=C1/CC(CI)OC1=O |r|
BDBM178167 CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r|
BDBM178169 [N-]=[N+]=NCC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r|
BDBM178170 CC1C\C(C(=O)O1)=C1/O[C@@H]2CC(=O)N2C1C(O)=O |r|
BDBM178171 CC1CC(C(=O)O1)=C1O[C@@H]2CC(=O)N2C1C(O)=O |r,w:3.3|
BDBM178180 ICC1CC(CO1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |r,w:4.4,2.1|
BDBM178188 OCC=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:8.16,3.3|
BDBM178196 COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C=O |w:11.12|
BDBM178197 COC(=O)C1(CC=C)N2[C@@H](CC2=O)OC1=CC=O |w:15.17|
BDBM178198 CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C=O |w:18.19,21.22|
BDBM178199 CC(C)(C)C(=O)OCOC(=O)C1(CC=Cc2ccccc2)N2[C@@H](CC2=O)OC1=CC=O |w:13.12,28.31|
BDBM178200 OC(=O)C(CC=C)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:7.15|
BDBM178201 OC(=O)C(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:13.22,5.4|
BDBM178202 COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=C)C(O)=O |w:11.12|
BDBM178203 COC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O |w:11.12,14.15|
BDBM178204 CC(C)(C)C(=O)OCOC(=O)C1N2[C@@H](CC2=O)OC1=C(CC=Cc1ccccc1)C(O)=O |w:18.19,21.22|
BDBM178207 OCC(CC=Cc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:12.21,4.3|
BDBM178209 CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(O)=O |w:7.15|
BDBM178210 COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(O)=O |w:11.12|
BDBM178211 CCCC(C(O)=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OC |w:7.15|
BDBM178214 COC(=O)C1N2[C@@H](CC2=O)OC1=C(CCCc1ccccc1)C(=O)OC |w:11.12|
BDBM178215 OC(=O)C(CC=CCN(Cc1ccccc1)C(=O)OCc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:26.36,5.4|
BDBM60600 COC(=O)C1N2[C@@H](CC2=O)O\C1=C(/C\C=C\c1ccccc1)C=O