smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[N+]12CC[N+](CC(=O)c3ccc(Br)cc3)(CC1)CC2)c1ccc(Br)cc1 ZINC000016400756 717112373 /nfs/dbraw/zinc/11/23/73/717112373.db2.gz HWXCTSCPJKSZGX-UHFFFAOYSA-N 2 0 508.254 3.938 10 30 KHEERP