smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C[NH3+])C1 ZINC000563152770 333398250 /nfs/dbraw/zinc/39/82/50/333398250.db2.gz FZUDBKPCAQONPN-NSHDSACASA-N 2 2 309.326 -1.142 20 5 DABDLP C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C[NH3+])C1 ZINC000563152769 333398225 /nfs/dbraw/zinc/39/82/25/333398225.db2.gz FZUDBKPCAQONPN-LLVKDONJSA-N 2 2 309.326 -1.142 20 5 DABDLP