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([O-])CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(C(=O)[O-])cc1 ZINC000004151201 570578969 /nfs/dbraw/zinc/57/89/69/570578969.db2.gz KZAPAOQEQOZXLG-UHFFFAOYSA-N -2 0 369.804 4.513 50 10 FJCARL O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1)c1ccc2ccccc2c1 ZINC000000879753 571113576 /nfs/dbraw/zinc/11/35/76/571113576.db2.gz OEXMVPQZPJUYJS-UHFFFAOYSA-N -2 0 368.241 4.653 50 10 FJCARL O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1-c1cccc(C(=O)[O-])c1 ZINC000004151211 207002962 /nfs/dbraw/zinc/00/29/62/207002962.db2.gz XZVAOSAVKPUMQO-UHFFFAOYSA-N -2 0 369.804 4.513 50 10 FJCARL