smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1n[nH]c(=O)[nH]1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147889213 831415865 /nfs/dbraw/zinc/41/58/65/831415865.db2.gz BQLSCCPZSGIZQQ-UHFFFAOYSA-N -1 2 300.278 -0.081 20 10 DBCDLM