smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Br)c(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000159973120 530548431 /nfs/dbraw/zinc/54/84/31/530548431.db2.gz CVVGSOGKWAABGV-UHFFFAOYSA-N 2 0 386.334 1.952 20 70 GDIDRP