smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(Br)cc(C=NNC([S-])=[NH+]c2ccccc2)c([O-])c1Br ZINC000038166568 526322971 /nfs/dbraw/zinc/32/29/71/526322971.db2.gz ZVUZTONBCNIEEU-REZTVBANSA-N -2 1 445.136 4.355 10 30 IIEEML