smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(S(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cnn1-c1ccc(Cl)cc1 ZINC000800728452 1067162581 /nfs/dbraw/zinc/16/25/81/1067162581.db2.gz PKRJSEMMUPEFFP-UHFFFAOYSA-N 0 2 500.005 4.643 20 10 KJCDLN