smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000004992050 395682572 /nfs/dbraw/zinc/68/25/72/395682572.db2.gz VZUQUMDNLRNNDP-HNNXBMFYSA-N 2 2 309.366 0.940 50 5 DCBALP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000004992049 395682667 /nfs/dbraw/zinc/68/26/67/395682667.db2.gz VZUQUMDNLRNNDP-OAHLLOKOSA-N 2 2 309.366 0.940 50 5 DCBALP