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)=C/C=C/[C@H](C)c1ccc(C=O)c([O-])c1O ZINC000014444341 188105725 /nfs/dbraw/zinc/10/57/25/188105725.db2.gz HYIQPOJSOSXRKS-MALLOTDXSA-N -1 3 246.306 3.536 1 10 BHCFHM