smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1[nH]c2ccc(C(=O)N3c4ccccc4NC(=NCc4cccc(Cl)c4)C34CC[NH2+]CC4)cc2[nH+]1 ZINC001156969312 1067165361 /nfs/dbraw/zinc/16/53/61/1067165361.db2.gz CWJFKHRSEHXVEL-UHFFFAOYSA-N 2 1 500.006 4.592 20 30 KJEDMP