smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1cc(C(=O)[N-]NC(=O)[O-])c(Cl)cc1Cl ZINC000829754626 604417940 /nfs/dbraw/zinc/41/79/40/604417940.db2.gz PHTFVZZRZVYCAT-UHFFFAOYSA-N -2 3 295.147 2.628 20 50 CFGDHL