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)CC(=O)N/N=C/c1cc(Br)ccc1[O-] ZINC000001847144 717089931 /nfs/dbraw/zinc/08/99/31/717089931.db2.gz DDSYFBTVFUHYGU-UHFFFAOYSA-O 0 3 315.191 1.311 40 50 DDGBHN