smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@H]1O[C@@H](COC(C)=O)[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 ZINC000159882125 571530483 /nfs/dbraw/zinc/53/04/83/571530483.db2.gz SWVBBYOXGRDAEU-BLCWMZQOSA-N 0 0 650.583 -0.748 40 70 KBIBRN CO[C@H]1O[C@H](COC(C)=O)[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 ZINC000159882298 571530481 /nfs/dbraw/zinc/53/04/81/571530481.db2.gz SWVBBYOXGRDAEU-OTEFYFLSSA-N 0 0 650.583 -0.748 40 70 KBIBRN