smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)C(C)C ZINC000013360397 957037811 /nfs/dbraw/zinc/03/78/11/957037811.db2.gz POCJHLVUJPKHLI-UHFFFAOYSA-N -2 0 316.335 0.359 50 50 DCGARL CC(C)CC(=O)N[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000012814200 956906621 /nfs/dbraw/zinc/90/66/21/956906621.db2.gz ZHEJILZOSKTLGT-UHFFFAOYSA-N -2 0 318.326 0.880 50 50 DCGARL