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-])c1ccc(NC(=O)COc2ccccc2[P@](=O)([O-])O)cc1 ZINC000009341109 204365098 /nfs/dbraw/zinc/36/50/98/204365098.db2.gz ACTKMNFRAFYDAE-UHFFFAOYSA-N -2 2 351.251 1.205 50 0 FDAALL O=C([O-])c1ccc(NC(=O)COc2ccccc2[P@@](=O)([O-])O)cc1 ZINC000009341109 204365100 /nfs/dbraw/zinc/36/51/00/204365100.db2.gz ACTKMNFRAFYDAE-UHFFFAOYSA-N -2 2 351.251 1.205 50 0 FDAALL O=C([O-])[C@H]1CSC(c2nc3ccc(O[P@](=O)([O-])O)cc3s2)=N1 ZINC000004521650 518302437 /nfs/dbraw/zinc/30/24/37/518302437.db2.gz ATNLDURWXISHKQ-SSDOTTSWSA-N -2 2 360.309 1.714 50 0 FDAALL O=C([O-])[C@H]1CSC(c2nc3ccc(O[P@@](=O)([O-])O)cc3s2)=N1 ZINC000004521650 518302440 /nfs/dbraw/zinc/30/24/40/518302440.db2.gz ATNLDURWXISHKQ-SSDOTTSWSA-N -2 2 360.309 1.714 50 0 FDAALL