smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CC(=O)c1cc(C(=O)[O-])cc(O)c1[O-] ZINC000013334606 188045985 /nfs/dbraw/zinc/04/59/85/188045985.db2.gz VHWIAVGCDWNKCX-UHFFFAOYSA-N -2 1 236.223 1.945 1 30 BDEFML