smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c([O-])cc(CO)cc21 ZINC000033831430 556638768 /nfs/dbraw/zinc/63/87/68/556638768.db2.gz KIZBWUUJNJEYCM-JNHRPPPUSA-N -1 3 432.381 -1.161 40 10 biogenic,in-vitro IACBHM