smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2ccc(Cl)cc2[O-])o1 ZINC000012445999 570813471 /nfs/dbraw/zinc/81/34/71/570813471.db2.gz HDZKPUTZTWULLK-FBHDLOMBSA-N -2 1 355.777 5.063 40 30 FKEBML