smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)c1cc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])on1 ZINC000436860836 1099372146 /nfs/dbraw/zinc/37/21/46/1099372146.db2.gz IGZHVXNLWUJMDL-UHFFFAOYSA-N -2 3 353.762 4.098 20 5 FIBDHL