smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)/C(=N/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)N1 ZINC000003180275 570330828 /nfs/dbraw/zinc/33/08/28/570330828.db2.gz NRVIVRCXGQOXFT-UHFFFAOYSA-N -1 2 381.370 -0.318 50 30 GBEALM O=C1[N-]C(=O)/C(=N\Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)N1 ZINC000003180275 570330824 /nfs/dbraw/zinc/33/08/24/570330824.db2.gz NRVIVRCXGQOXFT-UHFFFAOYSA-N -1 2 381.370 -0.318 50 30 GBEALM