smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)C(=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)N1 ZINC000003180275 570330821 /nfs/dbraw/zinc/33/08/21/570330821.db2.gz NRVIVRCXGQOXFT-UHFFFAOYSA-N 0 2 381.370 -0.318 50 30 GBEALN O=C1NC(=O)C(=NNc2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)N1 ZINC000008398516 221039954 /nfs/dbraw/zinc/03/99/54/221039954.db2.gz MVBYVGZBHBSXST-UHFFFAOYSA-N 0 2 379.398 -0.005 50 30 GBEALN