smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cc(C(C)C)c([C@@H](C)[NH3+])c(C(C)C)c1 ZINC000035091667 167570577 /nfs/dbraw/zinc/57/05/77/167570577.db2.gz CQUUZQSBPYYMRG-CYBMUJFWSA-N 1 2 247.426 5.077 10 0 BKAELO CC(C)c1cc(C(C)C)c([C@H](C)[NH3+])c(C(C)C)c1 ZINC000035091669 167569348 /nfs/dbraw/zinc/56/93/48/167569348.db2.gz CQUUZQSBPYYMRG-ZDUSSCGKSA-N 1 2 247.426 5.077 10 0 BKAELO