smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1O[C@H](Oc2cc([O-])cc3oc(-c4ccc([O-])cc4)cc(=O)c23)[C@H](O)[C@H](O)[C@H]1O ZINC000085487703 291198005 /nfs/dbraw/zinc/19/80/05/291198005.db2.gz SRJBAQYSUSHTFE-PSEYTLPESA-N -2 3 416.382 1.078 1 0 biogenic,in-vitro HDAFHL NS(=O)(=O)c1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c([O-])cc2[O-])cc1 ZINC000014958419 581098934 /nfs/dbraw/zinc/09/89/34/581098934.db2.gz OOHYJGNSESWEFT-UHFFFAOYSA-N -2 3 422.850 1.719 1 0 in-vivo HDAFHL