smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [S-]c1cc(S)cc(Br)c1 ZINC000044076153 384312583 /nfs/dbraw/zinc/31/25/83/384312583.db2.gz AHHCKAJHIBGSHJ-UHFFFAOYSA-N -1 2 221.144 3.027 50 0 BGAALM Nc1ccc(-c2ccc(N)c(S)c2)cc1[S-] ZINC000056683669 384918309 /nfs/dbraw/zinc/91/83/09/384918309.db2.gz VIZZYYXBVQTVQS-UHFFFAOYSA-N -1 2 248.376 3.095 50 0 BGAALM