smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCS)/C(Cc1cc(Br)c(O)c(Br)c1)=N/[O-] ZINC000044091397 1060224200 /nfs/dbraw/zinc/22/42/00/1060224200.db2.gz AHMDLJINAVKCDM-OQLLNIDSSA-N -1 2 412.103 2.336 1 30 HEEFLM