smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1nnc([N-]C(=O)c2cc(Br)c(Br)s2)s1 ZINC000027912484 526226858 /nfs/dbraw/zinc/22/68/58/526226858.db2.gz WDVHANKYGRAMPC-UHFFFAOYSA-N -1 1 415.157 4.483 10 30 HIEEMM