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-])c1ccc(O)c(NN=C2C=C(S(=O)(=O)[O-])c3ccccc3C2=O)c1 ZINC000005890457 204156484 /nfs/dbraw/zinc/15/64/84/204156484.db2.gz UIYDCNHGVDGNBZ-VHEBQXMUSA-N -2 0 388.357 3.611 1 10 GHCFRL