smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1ccc([N+](=O)[O-])cc1[O-])C(S(=O)(=O)[O-])=C2 ZINC000059032870 195387199 /nfs/dbraw/zinc/38/71/99/195387199.db2.gz NQGIFVWQIYLXKQ-VHEBQXMUSA-N -3 1 484.424 2.650 10 10 JFCEML Nc1c(/N=N/c2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c12 ZINC000004261862 527423569 /nfs/dbraw/zinc/42/35/69/527423569.db2.gz BIRSOLGVSAACRW-VHEBQXMUSA-N -2 1 468.425 2.945 10 10 JFCEML