smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)c1n[nH]c(SCc2cccnc2)n1 ZINC000216903141 387637543 /nfs/dbraw/zinc/63/75/43/387637543.db2.gz UPYIDYNGDOKASZ-UHFFFAOYSA-N 0 1 242.254 2.430 40 70 BEIBMN