smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)cc1 ZINC000017120952 556219238 /nfs/dbraw/zinc/21/92/38/556219238.db2.gz RMYYPCIAJWYVHZ-LSCFUAHRSA-N -2 0 499.398 0.755 10 5 in-vitro JCBERL