smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000218398837 398345806 /nfs/dbraw/zinc/34/58/06/398345806.db2.gz ZEEHINPKVDHIDE-UHFFFAOYSA-N 1 2 318.996 2.640 10 70 DFIELO