smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@@H](CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004899490 170038043 /nfs/dbraw/zinc/03/80/43/170038043.db2.gz VUUNELJIFNFWJC-NSHDSACASA-N 1 3 266.301 0.990 50 5 in-vitro CCBAHO