smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)[P@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000036152270 562048329 /nfs/dbraw/zinc/04/83/29/562048329.db2.gz JUUPLNBGGKLDFT-FXQIFTODSA-N -3 2 541.190 0.858 1 10 KCCFLL Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000036152270 562048327 /nfs/dbraw/zinc/04/83/27/562048327.db2.gz JUUPLNBGGKLDFT-FXQIFTODSA-N -3 2 541.190 0.858 1 10 KCCFLL Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)[P@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000036152279 562048324 /nfs/dbraw/zinc/04/83/24/562048324.db2.gz JUUPLNBGGKLDFT-CSMHCCOUSA-N -3 2 541.190 0.858 1 10 KCCFLL Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000036152279 562048323 /nfs/dbraw/zinc/04/83/23/562048323.db2.gz JUUPLNBGGKLDFT-CSMHCCOUSA-N -3 2 541.190 0.858 1 10 KCCFLL