smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCOc1cccc(CC(O)(P(=O)([O-])O)[P@@](=O)([O-])O)c1 ZINC000049881403 563140576 /nfs/dbraw/zinc/14/05/76/563140576.db2.gz MHLLAPRPDYGFFU-UHFFFAOYSA-N -2 2 438.394 3.750 1 30 in-vitro IHEFLL CCCCCCCCCCOc1cccc(CC(O)(P(=O)([O-])O)[P@](=O)([O-])O)c1 ZINC000049881403 563140578 /nfs/dbraw/zinc/14/05/78/563140578.db2.gz MHLLAPRPDYGFFU-UHFFFAOYSA-N -2 2 438.394 3.750 1 30 in-vitro IHEFLL