smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=P([O-])(O)CCCCCCCCCC[P@](=O)([O-])O ZINC000034227522 401892516 /nfs/dbraw/zinc/89/25/16/401892516.db2.gz AYQDAYSTSMCOCJ-UHFFFAOYSA-N -2 2 302.244 2.463 50 0 DEAALL O=P([O-])(O)CCCCCCCCCC[P@@](=O)([O-])O ZINC000034227522 401892519 /nfs/dbraw/zinc/89/25/19/401892519.db2.gz AYQDAYSTSMCOCJ-UHFFFAOYSA-N -2 2 302.244 2.463 50 0 DEAALL O=P([O-])(O)C(Sc1ccc(Cl)cc1)[P@](=O)([O-])O ZINC000001531010 401708619 /nfs/dbraw/zinc/70/86/19/401708619.db2.gz DKJJVAGXPKPDRL-UHFFFAOYSA-N -2 2 318.611 2.071 50 0 world DEAALL O=P([O-])(O)C(Sc1ccc(Cl)cc1)[P@@](=O)([O-])O ZINC000001531010 401708623 /nfs/dbraw/zinc/70/86/23/401708623.db2.gz DKJJVAGXPKPDRL-UHFFFAOYSA-N -2 2 318.611 2.071 50 0 world DEAALL