smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCCc1ccc([N+]([O-])(CCCl)CCCl)cc1 ZINC000001643120 717089254 /nfs/dbraw/zinc/08/92/54/717089254.db2.gz KXMJTDMWYPDAPL-UHFFFAOYSA-N -1 0 320.216 3.377 1 50 DGGFRM