smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C[N+](C)(C)CCOP(=O)(c1ccccc1)c1ccccc1 ZINC000003173065 717095670 /nfs/dbraw/zinc/09/56/70/717095670.db2.gz VEFURBWIUNSKMW-UHFFFAOYSA-N 1 0 376.413 2.572 10 50 GFGERO