smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(/N=C\c2cc(Cl)cc(Cl)c2[O-])c(O)c1 ZINC000100456095 219099770 /nfs/dbraw/zinc/09/97/70/219099770.db2.gz DCRFKAVJGOOGDF-SOFYXZRVSA-N -1 2 327.123 4.063 10 30 EIEELM