smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C)n1-c1ccc(-c2ccc(CCC(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000045351047 208332282 /nfs/dbraw/zinc/33/22/82/208332282.db2.gz XKLQFSYLYXOADT-UHFFFAOYSA-N -2 0 363.413 4.477 1 10 FICFRL