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)CCOCCOCCOCC[P@](=O)([O-])O ZINC000068592463 382557493 /nfs/dbraw/zinc/55/74/93/382557493.db2.gz QSULJYOIONNJQJ-UHFFFAOYSA-N -2 2 322.187 -0.608 40 0 DBABLL O=P([O-])(O)CCOCCOCCOCC[P@@](=O)([O-])O ZINC000068592463 382557506 /nfs/dbraw/zinc/55/75/06/382557506.db2.gz QSULJYOIONNJQJ-UHFFFAOYSA-N -2 2 322.187 -0.608 40 0 DBABLL