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](COC(=O)c2cc(O)c([O-])c(O)c2)[C@@H](O)[C@H](O)[C@H]1O ZINC000033832664 565108868 /nfs/dbraw/zinc/10/88/68/565108868.db2.gz FNCIIGZVDLRIDE-RRZLQCMWSA-N -1 3 346.288 -1.586 1 10 biogenic,in-vitro EACFHM