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(Cl)cc(Cl)cc1C1CCCCC1 ZINC000001621238 188334864 /nfs/dbraw/zinc/33/48/64/188334864.db2.gz SFOQFDXYGLDALW-UHFFFAOYSA-N -1 1 245.149 4.747 40 0 BJABMM