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-])c1cc(/C=C\c2nc(-c3ccccc3)cs2)ccc1[O-] ZINC000436797145 338287847 /nfs/dbraw/zinc/28/78/47/338287847.db2.gz MKSNVNLZAWLBAP-CLFYSBASSA-N -1 0 324.361 4.594 20 5 DJBDRM O=[N+]([O-])c1ccc(/C=C/c2nc(-c3ccccc3)cs2)cc1[O-] ZINC000498296272 339302177 /nfs/dbraw/zinc/30/21/77/339302177.db2.gz OFEQXWPYLQHKGF-VQHVLOKHSA-N -1 0 324.361 4.594 20 5 DJBDRM O=[N+]([O-])c1ccc(/C=C\c2nc(-c3ccccc3)cs2)cc1[O-] ZINC000498296271 339302145 /nfs/dbraw/zinc/30/21/45/339302145.db2.gz OFEQXWPYLQHKGF-CLFYSBASSA-N -1 0 324.361 4.594 20 5 DJBDRM