smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(CBr)n2c(C[N+](C)(C)C)c(C)c(=O)n2c1=O ZINC000002384688 717094540 /nfs/dbraw/zinc/09/45/40/717094540.db2.gz FGIBLIQLKYAGPD-UHFFFAOYSA-N 1 0 329.218 0.915 50 50 in-vitro ECGARO