smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc(Br)cc1CNc1cc[nH+]cc1 ZINC000004290990 368540785 /nfs/dbraw/zinc/54/07/85/368540785.db2.gz DCZQBZGSOFURFW-UHFFFAOYSA-N 1 0 279.137 3.162 30 10 CGCCRO