smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2c(cc1C)[N-]c1oc3ccc4ccccc4c3c(=O)c1C=N2 ZINC000001584730 563394317 /nfs/dbraw/zinc/39/43/17/563394317.db2.gz UNIPQSFXXYTMHM-UHFFFAOYSA-N -1 1 340.382 5.371 40 5 EKBBMM