smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000033395913 202260445 /nfs/dbraw/zinc/26/04/45/202260445.db2.gz FDHWBIOMJMFEHN-MDWZMJQESA-N -2 2 349.173 3.160 50 10 EGCALL