smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)NC1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000191729479 269085874 /nfs/dbraw/zinc/08/58/74/269085874.db2.gz QLDSHSLRRNPZFK-LLVKDONJSA-N 1 2 283.288 -1.028 10 5 CABELO CC(=O)NC1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000191729463 269086376 /nfs/dbraw/zinc/08/63/76/269086376.db2.gz QLDSHSLRRNPZFK-NSHDSACASA-N 1 2 283.288 -1.028 10 5 CABELO