smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC2(CC1)NNC(=S)NN2 ZINC000049474072 173003193 /nfs/dbraw/zinc/00/31/93/173003193.db2.gz KFRKBNSPBMHVNB-UHFFFAOYSA-N 0 3 201.299 -1.105 50 10 BACAHN