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](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@H](O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000217366834 571601218 /nfs/dbraw/zinc/60/12/18/571601218.db2.gz LILBYIPNRVSZHK-VMPTWCPTSA-N 0 0 594.519 -1.972 40 70 KAIBRN