smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1csc(=Nc2ccc([N+](=O)[O-])cc2)n1CCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000009183423 554955823 /nfs/dbraw/zinc/95/58/23/554955823.db2.gz IQEVLWNEEWOXDQ-UHFFFAOYSA-O -2 2 454.314 1.387 50 5 JDBALL Cc1csc(=Nc2ccc([N+](=O)[O-])cc2)n1CCC(O)(P(=O)([O-])O)[P@](=O)([O-])O ZINC000009183423 554955824 /nfs/dbraw/zinc/95/58/24/554955824.db2.gz IQEVLWNEEWOXDQ-UHFFFAOYSA-O -2 2 454.314 1.387 50 5 JDBALL