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-])c1ccccc1C(=O)N[N-]C(=O)c1ccc(Cl)cc1Cl ZINC000000670499 956862408 /nfs/dbraw/zinc/86/24/08/956862408.db2.gz VVCQVBJSIZTRAE-UHFFFAOYSA-N -2 3 353.161 2.766 50 50 FFGAHL