smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000034803923 563087772 /nfs/dbraw/zinc/08/77/72/563087772.db2.gz PRYRPDIVSJIODL-UHFFFAOYSA-N -2 2 430.459 5.249 10 30 IKEELL CCCCCCCCCCCCCCCCCC(O)(P(=O)([O-])O)[P@](=O)([O-])O ZINC000034803923 563087773 /nfs/dbraw/zinc/08/77/73/563087773.db2.gz PRYRPDIVSJIODL-UHFFFAOYSA-N -2 2 430.459 5.249 10 30 IKEELL