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([O-])NNC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC000832748005 603838049 /nfs/dbraw/zinc/83/80/49/603838049.db2.gz AJFHLZLPUPWJGW-UHFFFAOYSA-N -2 2 364.667 2.163 20 50 FEGDLL