smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCOc1cc(=O)c2c([O-])cc(-c3ccc(O)c(O)c3)oc-2c1 ZINC000096273313 222107228 /nfs/dbraw/zinc/10/72/28/222107228.db2.gz OAVBFNPMFUTTAH-UHFFFAOYSA-N -1 1 370.401 4.536 1 10 FJCFMM CCCCCCOc1cc([O-])c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 ZINC000096273313 222107234 /nfs/dbraw/zinc/10/72/34/222107234.db2.gz OAVBFNPMFUTTAH-UHFFFAOYSA-N -1 1 370.401 4.536 1 10 FJCFMM