smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]n(-c2cccc(S(=O)(=O)[O-])c2)c(=O)c1NN=C1C=C(Cl)C=C(S(=O)(=O)[O-])C1=O ZINC000004261855 527537296 /nfs/dbraw/zinc/53/72/96/527537296.db2.gz BPRDAFNKPFOFEA-VHEBQXMUSA-N -2 2 488.887 3.154 10 10 JGCELL