smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(C)=O)O[C@@H](Sc3ccccc3)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000159881691 571530480 /nfs/dbraw/zinc/53/04/80/571530480.db2.gz OJVHDCHVHOISBO-CBUXPLGESA-N 0 0 728.722 1.398 40 70 KDIBRN CC(=O)OC[C@H]1O[C@H](Sc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000159881841 571530537 /nfs/dbraw/zinc/53/05/37/571530537.db2.gz OJVHDCHVHOISBO-NVFNYSOFSA-N 0 0 728.722 1.398 40 70 KDIBRN CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000216802983 571598254 /nfs/dbraw/zinc/59/82/54/571598254.db2.gz NOSHTSIBGONQNB-UHFFFAOYSA-N 0 0 501.030 1.535 40 70 KDIBRN CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000216803092 571598192 /nfs/dbraw/zinc/59/81/92/571598192.db2.gz 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