smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(O)=C1C(=O)[C@@]2(C)CC[C@@H]1C2(C)C ZINC000217800067 168252070 /nfs/dbraw/zinc/25/20/70/168252070.db2.gz DQYYHKHSFKGKOZ-IYYTYJHQSA-N 0 1 208.301 2.607 40 70 BFIBMN CCC(O)=C1C(=O)[C@@]2(C)CC[C@@H]1C2(C)C ZINC000217800152 168253372 /nfs/dbraw/zinc/25/33/72/168253372.db2.gz DQYYHKHSFKGKOZ-GMOODISLSA-N 0 1 208.301 2.607 40 70 BFIBMN