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-])[C@H]1C[C@@H]([P@](=O)([O-])O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240894 559067900 /nfs/dbraw/zinc/06/79/00/559067900.db2.gz KIIWXTBVLUMNBM-KZULUSFZSA-N -2 0 417.354 2.641 10 0 HFAERL CC(C)(C)OC(=O)Cn1cc(-c2ccc(Cl)c(C(=O)[O-])c2)cc(C(=O)[O-])c1=O ZINC000725262352 559169638 /nfs/dbraw/zinc/16/96/38/559169638.db2.gz WDHIKAAIJPHKPT-UHFFFAOYSA-N -2 0 407.806 2.907 10 0 HFAERL O=C([O-])[C@@H]1C[C@H]([P@](=O)([O-])O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240895 559067921 /nfs/dbraw/zinc/06/79/21/559067921.db2.gz KIIWXTBVLUMNBM-SGTLLEGYSA-N -2 0 417.354 2.641 10 0 HFAERL O=C([O-])[C@@H]1C[C@@H]([P@](=O)([O-])O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240896 559067890 /nfs/dbraw/zinc/06/78/90/559067890.db2.gz KIIWXTBVLUMNBM-XIKOKIGWSA-N -2 0 417.354 2.641 10 0 HFAERL O=C([O-])[C@H]1C[C@H]([P@](=O)([O-])O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000725240893 559067911 /nfs/dbraw/zinc/06/79/11/559067911.db2.gz KIIWXTBVLUMNBM-KPZWWZAWSA-N -2 0 417.354 2.641 10 0 HFAERL