smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CCc2c1oc(=O)c1cc([O-])c(O)c([O-])c21 ZINC000013379152 560215757 /nfs/dbraw/zinc/21/57/57/560215757.db2.gz FXVRSKPFWVYCPN-UHFFFAOYSA-N -2 3 248.190 1.039 1 10 biogenic,in-vitro BDCFHL