smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccc(OC(=O)CCCCCCC(=O)N[O-])cc1 ZINC000142511871 401990626 /nfs/dbraw/zinc/99/06/26/401990626.db2.gz XDZAHHULFQIBFE-UHFFFAOYSA-N -1 3 323.345 2.225 30 30 in-man DEECHM