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@H](O)[C@@H](O)[C@H](O)[C@@H](CO)OP(=O)([O-])O[P@](=O)([O-])O ZINC000095936501 374808886 /nfs/dbraw/zinc/80/88/86/374808886.db2.gz STDWHPYQLDCNBQ-SLPGGIOYSA-N -2 1 340.114 -3.145 40 30 EAEBML O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)OP(=O)([O-])O[P@@](=O)([O-])O ZINC000095936501 374808880 /nfs/dbraw/zinc/80/88/80/374808880.db2.gz STDWHPYQLDCNBQ-SLPGGIOYSA-N -2 1 340.114 -3.145 40 30 EAEBML O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[P@](=O)([O-])OP(=O)([O-])O ZINC000095936501 374808873 /nfs/dbraw/zinc/80/88/73/374808873.db2.gz STDWHPYQLDCNBQ-SLPGGIOYSA-N -2 1 340.114 -3.145 40 30 EAEBML O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[P@@](=O)([O-])OP(=O)([O-])O ZINC000095936501 374808867 /nfs/dbraw/zinc/80/88/67/374808867.db2.gz STDWHPYQLDCNBQ-SLPGGIOYSA-N -2 1 340.114 -3.145 40 30 EAEBML O=C[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[P@](=O)([O-])OP(=O)([O-])[O-] ZINC000095936501 374808863 /nfs/dbraw/zinc/80/88/63/374808863.db2.gz STDWHPYQLDCNBQ-SLPGGIOYSA-N -3 1 340.114 -3.145 40 30 EAEBML