smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000008881179 562965730 /nfs/dbraw/zinc/96/57/30/562965730.db2.gz CGJAKPZCNCKKII-UHFFFAOYSA-N -1 3 448.445 3.302 20 30 IGEDHM