smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(S(=O)(=O)[O-])S(=O)(=O)[O-] 100288256 169167408 /nfs/dbraw/zinc/16/74/08/169167408.db2.gz KDTXFXOVUDTJPI-UHFFFAOYSA-N -2 2 191.186 -1.996 40 0 AAABLL O=C([O-])[C@@H](O)CO[P@@](=O)([O-])O 3869933 169346120 /nfs/dbraw/zinc/34/61/20/169346120.db2.gz OSJPPGNTCRNQQC-REOHCLBHSA-N -2 2 186.056 -1.459 40 0 endogenous,in-man AAABLL O=C([O-])[C@@H](O)CO[P@](=O)([O-])O 3869933 169346121 /nfs/dbraw/zinc/34/61/21/169346121.db2.gz OSJPPGNTCRNQQC-REOHCLBHSA-N -2 2 186.056 -1.459 40 0 endogenous,in-man AAABLL O=C([O-])CNC(=O)[P@](=O)([O-])O 238607729 351822673 /nfs/dbraw/zinc/82/26/73/351822673.db2.gz OIDMSLUOGPKXNP-UHFFFAOYSA-N -2 2 183.056 -1.042 40 0 AAABLL O=C([O-])CNC(=O)[P@@](=O)([O-])O 238607729 351822676 /nfs/dbraw/zinc/82/26/76/351822676.db2.gz OIDMSLUOGPKXNP-UHFFFAOYSA-N -2 2 183.056 -1.042 40 0 AAABLL