smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@H]([NH3+])C(=O)ONc1ccn([C@@H]2O[C@H](CO)C(O)[C@@]2(C)O)c(=O)n1 ZINC000584605476 483284016 /nfs/dbraw/zinc/28/40/16/483284016.db2.gz RIDOYEIYLXFWSM-FMBSFYNOSA-N 1 2 371.370 -1.358 10 30 FAEELO