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+](C)(C)CCOC(=O)c1ccc(CBr)cc1 ZINC000001649144 717089439 /nfs/dbraw/zinc/08/94/39/717089439.db2.gz BNOCZYSAPOCFMG-UHFFFAOYSA-N 1 0 301.204 2.445 10 50 DEGERO