smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Brc1cc(Br)cc(-n2cc[nH+]c2)c1 ZINC000083348254 275367706 /nfs/dbraw/zinc/36/77/06/275367706.db2.gz QQSFBEHGXGPSQV-UHFFFAOYSA-N 1 2 301.969 3.397 30 0 DGACLO