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)c1ccc(-c2ccc(C(=O)[N-]NC(=O)[O-])o2)cc1 ZINC000823854009 603216239 /nfs/dbraw/zinc/21/62/39/603216239.db2.gz DDWKTLNSURFZNA-UHFFFAOYSA-N -2 0 302.330 3.157 20 50 DGGDRL CC(=NNC(=O)[O-])c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000833384445 604901330 /nfs/dbraw/zinc/90/13/30/604901330.db2.gz JIMRYIQHJBWOCN-UHFFFAOYSA-N -2 0 314.297 3.169 20 50 DGGDRL