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-])O[P@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000013455082 561713694 /nfs/dbraw/zinc/71/36/94/561713694.db2.gz GLWHPRRGGYLLRV-XLPZGREQSA-N -3 1 507.182 0.155 10 10 in-vivo KCCEML Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000013455082 561713692 /nfs/dbraw/zinc/71/36/92/561713692.db2.gz GLWHPRRGGYLLRV-XLPZGREQSA-N -3 1 507.182 0.155 10 10 in-vivo KCCEML