smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2ccc(O)c(C[NH+](C)C)c2oc(=O)c1-c1ccc(Cl)cc1 ZINC000004353827 201359922 /nfs/dbraw/zinc/35/99/22/201359922.db2.gz ASHFBCZFYZJHDV-UHFFFAOYSA-N -1 2 343.810 4.189 50 10 EICALM