smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCCN(CP(=O)([O-])O)C[P@@](=O)([O-])O ZINC000100071583 557239979 /nfs/dbraw/zinc/23/99/79/557239979.db2.gz QATJIQBEJBUTMH-UHFFFAOYSA-N -2 2 429.475 5.040 40 30 IKEBLL CCCCCCCCCCCCCCCCN(CP(=O)([O-])O)C[P@](=O)([O-])O ZINC000100071583 557239982 /nfs/dbraw/zinc/23/99/82/557239982.db2.gz QATJIQBEJBUTMH-UHFFFAOYSA-N -2 2 429.475 5.040 40 30 IKEBLL