smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000342114874 385863890 /nfs/dbraw/zinc/86/38/90/385863890.db2.gz BTONNRNFXKOZHY-SNVBAGLBSA-N 2 1 249.314 2.127 20 5 BEBDMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000342114871 385863979 /nfs/dbraw/zinc/86/39/79/385863979.db2.gz BTONNRNFXKOZHY-JTQLQIEISA-N 2 1 249.314 2.127 20 5 BEBDMP