smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@H]1O[C@@H](OC(=O)c2cc(O)c([O-])c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000005998231 560109243 /nfs/dbraw/zinc/10/92/43/560109243.db2.gz KGHSLXLLBHRMML-VKISENBKSA-N -1 3 332.261 -1.628 10 10 biogenic,in-vitro EACEHM