smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2[n-]c1=S ZINC000003631291 568921419 /nfs/dbraw/zinc/92/14/19/568921419.db2.gz FQWGDIIGQHWVLS-UHFFFAOYSA-N -1 0 405.401 4.516 20 30 HJEDRM