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]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O2)cc1C#CC[NH3+] ZINC000136076444 571449202 /nfs/dbraw/zinc/44/92/02/571449202.db2.gz LVTQIVFSMGDIPF-IVZWLZJFSA-N -2 2 520.221 -1.873 40 30 KAEBLL Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)cc1C#CC[NH3+] ZINC000136076444 571449201 /nfs/dbraw/zinc/44/92/01/571449201.db2.gz LVTQIVFSMGDIPF-IVZWLZJFSA-N -2 2 520.221 -1.873 40 30 KAEBLL