smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC[S@@+](C)CC(P(=O)([O-])[O-])P(=O)([O-])[O-] ZINC000034803931 581094499 /nfs/dbraw/zinc/09/44/99/581094499.db2.gz NYXTVKKWHZOSOD-DEOSSOPVSA-O -3 3 405.454 3.837 10 30 HHEEHL CCCCCCCCCCCC[S@+](C)CC(P(=O)([O-])[O-])P(=O)([O-])[O-] ZINC000034803933 581094613 /nfs/dbraw/zinc/09/46/13/581094613.db2.gz NYXTVKKWHZOSOD-XMMPIXPASA-O -3 3 405.454 3.837 10 30 HHEEHL