smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=C1C(=O)C(OC)=C(OC)C1=O)[C@H]1C(OC)=C[C@H](c2ccccc2)C2(C(=O)C(OC)=C(OC)C2=O)[C@@H]1c1ccccc1 ZINC000096023909 553723584 /nfs/dbraw/zinc/72/35/84/553723584.db2.gz LCIXMPUYUMOMIA-JCTONOIOSA-N 0 2 600.620 3.913 10 30 biogenic KHEELN