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(CCCC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)Nc1nnc(-c2ncc([N+](=O)[O-])[n-]2)s1 ZINC000027517264 563044462 /nfs/dbraw/zinc/04/44/62/563044462.db2.gz WTMFPXMQCAJYAW-TVWFMYDNSA-N -1 3 487.451 -2.139 1 5 JABFHM