smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1o[n-]c(=O)c1C[C@H](NC(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000098052555 570968529 /nfs/dbraw/zinc/96/85/29/570968529.db2.gz LGVJRWDYNJZRRP-PELKAZGASA-N -2 0 379.325 2.080 10 5 in-vitro GEBERL Cc1o[n-]c(=O)c1C[C@H](NC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000098052554 208367834 /nfs/dbraw/zinc/36/78/34/208367834.db2.gz LGVJRWDYNJZRRP-UFBFGSQYSA-N -2 0 379.325 2.080 10 5 in-vitro GEBERL