smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3c2cccc3[N+](=O)[O-])c1 ZINC000004980365 207068436 /nfs/dbraw/zinc/06/84/36/207068436.db2.gz QWOCMXIWQDAIPS-UHFFFAOYSA-N -2 1 372.358 3.247 50 5 FGBAML Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000013195095 220061032 /nfs/dbraw/zinc/06/10/32/220061032.db2.gz YWCLAHZMMKOMBQ-UHFFFAOYSA-N -2 1 370.770 3.056 50 5 FGBAML O=C1[N-]C(=S)SC1=Cc1cc(Br)c([O-])c([N+](=O)[O-])c1 ZINC000013785927 220094363 /nfs/dbraw/zinc/09/43/63/220094363.db2.gz QYAAPVNJOCDHGC-XVNBXDOJSA-N -2 1 361.198 3.392 50 5 FGBAML