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Tag Smiles Reactions
PTDBPRD00694 C=CC(C)(C)n1cc(C[C@H](NC(C)=O)C(C)=O)c2ccccc21 1
PTDBPRD00700 CC(C)=CCn1cc(CC2NC(=O)[C@@H]3CCCN3C2=O)c2ccccc21 1
PTDBPRD00061 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)CNC1=O 2
PTDBPRD00066 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O 2
PTDBPRD00074 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O 2
PTDBPRD00078 CC(C)=CCc1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O 2
PTDBPRD00081 CC(C)=CCc1cc(CC(=O)C(=O)O)ccc1O 2
PTDBPRD00096 CC(C)=CCOc1cc2c(=O)c3c(O)cccc3oc2cc1C 2
PTDBPRD00117 CC(C)=CCc1ccc2c(C[C@H](N)C(=O)O)c[nH]c2c1 2
PTDBPRD00153 C=CC(C)(C)n1cc(C2=C(OC)C(=O)C(c3c(CC=C(C)C)[nH]c4ccccc34)=C(OC)C2=O)c2ccccc21 2
PTDBPRD00154 C=CC(C)(C)n1cc(C2=C(OC)C(=O)C(c3cn(C(C)(C)C=C)c4ccccc34)=C(OC)C2=O)c2ccccc21 2
PTDBPRD00157 CC(C)=CCc1c(C)ccc2[nH]cc(C[C@H](N)C(=O)O)c12 2
PTDBPRD00163 CC(C)=CCc1cc(C)cc2[nH]cc(C[C@H](N)C(=O)O)c12 2
PTDBPRD00166 CC(C)=CCc1cc(C)cc2[nH]cc(C[C@@H](N)C(=O)O)c12 2
PTDBPRD00169 COc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1CC=C(C)C 2
PTDBPRD00172 COc1ccc2[nH]cc(C[C@@H](N)C(=O)O)c2c1CC=C(C)C 2
PTDBPRD00175 CC(C)=CCc1cccc2c(C[C@@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00178 CC(C)=CCc1cccc2c(C[C@H](N)CC(=O)O)c[nH]c12 2
PTDBPRD00181 CC(C)=CCc1cccc2c(CCN)c[nH]c12 2
PTDBPRD00182 CC(C)=CCc1cccc2[nH]cc(C[C@@H](N)C(=O)O)c12 2
PTDBPRD00185 CN[C@@H](Cc1c[nH]c2c(CC=C(C)C)cccc12)C(=O)O 2
PTDBPRD00188 CC(C)=CCc1cccc2c(C[C@@](C)(N)C(=O)O)c[nH]c12 2
PTDBPRD00191 CC(C)=CCc1cccc2c(C[C@](C)(N)C(=O)O)c[nH]c12 2
PTDBPRD00194 CC(C)=CCc1cccc2c(C[C@H](O)C(=O)O)c[nH]c12 2
PTDBPRD00197 CC(C)=CCc1cccc2c(C[C@@H](O)C(=O)O)c[nH]c12 2
PTDBPRD00198 CC(C)=CCc1cc(C)cc2c(C[C@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00199 CC(C)=CCc1cc(C)cc2c(C[C@@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00200 CC(C)=CCc1c(C)ccc2c(C[C@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00201 CC(C)=CCc1c(C)ccc2c(C[C@@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00202 COc1cc(CC=C(C)C)c2[nH]cc(C[C@H](N)C(=O)O)c2c1 2
PTDBPRD00204 COc1cc(CC=C(C)C)c2[nH]cc(C[C@@H](N)C(=O)O)c2c1 2
PTDBPRD00207 CC(C)=CCc1ccc(CC=C(C)C)c2c(C[C@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00210 CC(C)=CCc1ccc(CC=C(C)C)c2c(C[C@@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00213 CC(C)=CCc1ccc(CC=C(C)C)c2c(C[C@H](N)CC(=O)O)c[nH]c12 2
PTDBPRD00216 CC(C)=CCc1ccc(CC=C(C)C)c2c(CCN)c[nH]c12 2
PTDBPRD00219 CN[C@@H](Cc1c[nH]c2c(CC=C(C)C)ccc(CC=C(C)C)c12)C(=O)O 2
PTDBPRD00222 CC(C)=CCc1ccc(CC=C(C)C)c2c(C[C@@](C)(N)C(=O)O)c[nH]c12 2
PTDBPRD00225 CC(C)=CCc1ccc(CC=C(C)C)c2c(C[C@](C)(N)C(=O)O)c[nH]c12 2
PTDBPRD00228 CC(C)=CCc1ccc(CC=C(C)C)c2c(C[C@H](O)C(=O)O)c[nH]c12 2
PTDBPRD00231 CC(C)=CCc1ccc(CC=C(C)C)c2c(C[C@@H](O)C(=O)O)c[nH]c12 2
PTDBPRD00232 CC(C)=CCc1cccc2[nH]cc(CCN)c12 2
PTDBPRD00235 CC(C)=CCc1cc(C)c(CC=C(C)C)c2c(C[C@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00238 CC(C)=CCc1cc(C)c(CC=C(C)C)c2c(C[C@@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00241 CC(C)=CCc1c(C)cc(CC=C(C)C)c2c(C[C@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00244 CC(C)=CCc1c(C)cc(CC=C(C)C)c2c(C[C@@H](N)C(=O)O)c[nH]c12 2
PTDBPRD00247 COc1cc(CC=C(C)C)c2[nH]cc(C[C@H](N)C(=O)O)c2c1CC=C(C)C 2
PTDBPRD00250 COc1cc(CC=C(C)C)c2[nH]cc(C[C@@H](N)C(=O)O)c2c1CC=C(C)C 2
PTDBPRD00284 CC(C)=CCc1cccc2[nH]cc(C[C@H](O)C(=O)O)c12 2
PTDBPRD00285 CC(C)=CCc1cccc2[nH]cc(C[C@@H](O)C(=O)O)c12 2
PTDBPRD00288 C=CC(C)(C)[C@]12C[C@@H]3C(=O)Nc4ccccc4C(=O)N3[C@H]1Nc1ccccc12 2
PTDBPRD00323 CC(C)=CCc1cc(C[C@H](N)C(=O)O)ccc1N 2
PTDBPRD00335 N[C@@H](Cc1c[nH]c2c(Cc3ccccc3)cccc12)C(=O)O 2
PTDBPRD00361 CC(C)=CCc1ccc2[nH]c3c4[nH]c5ccccc5c4c4c(c3c2c1)CNC4=O 2
PTDBPRD00366 CC(C)=CCc1ccc2[nH]c3c4[nH]c5ccccc5c4c4c(c3c2c1)C(=O)N[C@H]4O 2
PTDBPRD00369 CC(C)=CCc1ccc2[nH]c3c4[nH]c5ccccc5c4c4c(c3c2c1)C(=O)N(C)C4=O 2
PTDBPRD00375 CC(C)=CCOc1c(I)cc(C[C@H](N)C(=O)O)cc1I 2
PTDBPRD00402 C=CC(C)(C)n1cc(C[C@H](N)C(=O)O)c2ccccc21 2
PTDBPRD00403 C=CC(C)(C)n1cc(C[C@H](N)C(=O)O)c2c(C)cccc21 2
PTDBPRD00404 C=CC(C)(C)n1cc(C[C@@H](N)C(=O)O)c2c(C)cccc21 2
PTDBPRD00405 C=CC(C)(C)n1cc(C[C@H](N)C(=O)O)c2ccc(C)cc21 2
PTDBPRD00406 C=CC(C)(C)n1cc(C[C@@H](N)C(=O)O)c2ccc(C)cc21 2
PTDBPRD00409 C=CC(C)(C)n1cc(C[C@H](N)C(=O)O)c2cccc(C)c21 2
PTDBPRD00410 C=CC(C)(C)n1cc(C[C@@H](N)C(=O)O)c2cccc(C)c21 2
PTDBPRD00411 C=CC(C)(C)n1cc(C[C@H](NC)C(=O)O)c2ccccc21 2
PTDBPRD00422 C=CC(C)(C)n1cc(C[C@H](NC(C)=O)C(=O)O)c2ccccc21 2
PTDBPRD00456 CC(C)=CCc1c(C)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 2
PTDBPRD00459 CC(C)=CCc1cc([C@@H]2CC(O)c3c(O)cc(C)cc3O2)cc(O)c1O 2
PTDBPRD00462 COc1ccc([C@@H]2CC(=O)c3c(cc(C)c(CC=C(C)C)c3O)O2)cc1O 2
PTDBPRD00463 COc1ccc([C@@H]2CC(=O)c3c(O)cc(C)cc3O2)c(CC=C(C)C)c1O 2
PTDBPRD00466 COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(OCC=C(C)C)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O 2
PTDBPRD00469 CC(C)=CCc1c(O)cc(O)c(C(=O)CCc2ccc(O)cc2)c1O 2
PTDBPRD00470 CC(C)=CCc1cc(CCC(=O)c2c(O)cc(O)cc2O)ccc1O 2
PTDBPRD00471 CC(C)=CCc1cc(CCC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O)ccc1O 2
PTDBPRD00474 CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O 2
PTDBPRD00477 CC(C)=CCc1c(O)cc2c(c1O)C(O)C(c1ccc(O)cc1)=CO2 2
PTDBPRD00478 CC(C)=CCc1cc(C2=COc3cc(O)c(CC=C(C)C)c(O)c3C2O)ccc1O 2
PTDBPRD00481 COc1ccc(-c2coc3cc(O)c(CC=C(C)C)c(O)c3c2=O)cc1 2
PTDBPRD00482 CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(C)cc3O2)ccc1O 2
PTDBPRD00485 CC(C)=CCc1cc2c(cc1O)O[C@@H](c1ccccc1)CC2=O 2
PTDBPRD00486 CC(C)=CCc1c(C)cc2c(c1O)C(O)C[C@@H](c1ccc(O)c(O)c1)O2 2
PTDBPRD00504 CC(C)=CCc1cccc2[nH]cc(CCC(=O)O)c12 2
PTDBPRD00507 CC(C)=CCc1cccc2c1c(C[C@@H](N)C(=O)O)cn2C 2
PTDBPRD00509 CC(C)=CCc1ccc(C)c2[nH]cc(C[C@@H](N)C(=O)O)c12 2
PTDBPRD00510 CC(C)=CCc1ccc(C)c2[nH]cc(C[C@H](N)C(=O)O)c12 2
PTDBPRD00513 CC(C)=CCc1c(O)ccc2[nH]cc(C[C@@H](N)C(=O)O)c12 2
PTDBPRD00531 COC(=O)[C@H](N)Cc1c[nH]c2cccc(CC=C(C)C)c12 2
PTDBPRD00599 CC(C)=CCc1ccc2cc(O)ccc2c1O 2
PTDBPRD00622 CC(C)=CCc1cc2ccc(O)c(CC=C(C)C)c2cc1O 2
PTDBPRD00623 CC(C)=CCc1cc2cc(CC=C(C)C)c(O)cc2cc1O 2
PTDBPRD00680 C=CC(C)(C)[C@@]12C[C@@H](C(C)=O)N(C(C)=O)[C@@H]1Nc1ccccc12 2
PTDBPRD00681 C=CC(C)(C)c1[nH]c2ccccc2c1C[C@H](NC(C)=O)C(C)=O 2
PTDBPRD00683 CC(C)=CCc1cccc2c(C[C@@H]3NC(=O)c4ccccc4NC3=O)c[nH]c12 2
PTDBPRD00685 CC(C)=CCc1cccc2c(C[C@H]3NC(=O)c4ccccc4NC3=O)c[nH]c12 2
PTDBPRD00686 CC(C)=CCc1cccc2c(C[C@@H]3NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)c[nH]c12 2
PTDBPRD00687 CC(C)=CCc1cccc2c(C[C@@H]3NC(=O)[C@H](CC(C)C)NC3=O)c[nH]c12 2
PTDBPRD00688 CC(C)=CCc1cccc2c(C[C@@H]3NC(=O)[C@H](C)NC3=O)c[nH]c12 2
PTDBPRD00691 CC(C)=CCOc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(C)cc3)NC2=O)cc1 2
PTDBPRD00697 C=CC(C)(C)c1[nH]c2ccccc2c1CC1NC(=O)[C@@H]2CCCN2C1=O 2
PTDBPRD00699 C=CC(C)(C)C12CC3C(=O)N4CCC[C@H]4C(=O)N3C1Nc1ccccc12 2
PTDBPRD00701 C/C=C/COc1ccc(C[C@H](N)C(=O)O)cc1 2