smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1 ZINC000409332861 560710530 /nfs/dbraw/zinc/71/05/30/560710530.db2.gz SFXYLDBRXWTJJY-DJWKRKHSSA-N -2 1 423.469 4.443 40 5 HIBBML O=C([O-])c1ccc(-c2ccc(Cl)c([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2)o1 ZINC000226353870 559273627 /nfs/dbraw/zinc/27/36/27/559273627.db2.gz ZOFOVOBFVNRWMD-UHFFFAOYSA-N -2 1 422.802 4.007 40 5 HIBBML Cc1c(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c2ccccc2n1Cc1ccccc1F ZINC000409349774 559248086 /nfs/dbraw/zinc/24/80/86/559248086.db2.gz WFSCQFOETNTHJS-ZHACJKMWSA-N -2 1 420.400 4.417 40 5 HIBBML