smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C(=NNc2ccc(O)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000252462751 569286989 /nfs/dbraw/zinc/28/69/89/569286989.db2.gz VXEXWIIFKNCUSL-UHFFFAOYSA-N -2 2 401.382 3.519 50 30 HHEALL