smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([O-])c1cc(Cl)cc(Cc2cc(Cl)cc(S(=O)(=O)[O-])c2O)c1O ZINC000001618074 562923213 /nfs/dbraw/zinc/92/32/13/562923213.db2.gz BWTRVQLOHGVPIN-UHFFFAOYSA-N -2 0 429.255 2.489 10 0 IEAERL