smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(=O)n([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)cc1Br ZINC000012504522 560212808 /nfs/dbraw/zinc/21/28/08/560212808.db2.gz KOHPTSGPCYTYFB-MNCSTQPFSA-N -1 2 402.094 -1.684 1 0 in-vitro HAAFLM Nc1nc(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)cc1Br ZINC000012504522 560212806 /nfs/dbraw/zinc/21/28/06/560212806.db2.gz KOHPTSGPCYTYFB-MNCSTQPFSA-N -1 2 402.094 -1.684 1 0 in-vitro HAAFLM