smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCSc1cccc(-c2cnnc(O)c2O)c1C ZINC000584630579 348695026 /nfs/dbraw/zinc/69/50/26/348695026.db2.gz YYKYMXSUKDBWTD-UHFFFAOYSA-N -2 2 292.360 2.602 10 0 CFAELL