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-])CCN(CC(=O)N[N-]C(=O)c1cccs1)Cc1ccccc1 ZINC000692509507 976517790 /nfs/dbraw/zinc/51/77/90/976517790.db2.gz RNUDSZGQFCWAFF-UHFFFAOYSA-N -2 3 361.423 1.486 10 50 FDGEHL