smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1Cl ZINC000216796371 568467664 /nfs/dbraw/zinc/46/76/64/568467664.db2.gz OTVGPMHVDIMWQM-UHFFFAOYSA-N -1 1 423.922 2.537 40 70 HFIBMM