smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2[nH]c(N=NNc3ccc(C(=O)[O-])cc3)nc2c(=O)n(C)c1=O ZINC000009310175 436035556 /nfs/dbraw/zinc/03/55/56/436035556.db2.gz ZUOLAFLUPRWPFA-UHFFFAOYSA-N -1 2 343.303 0.769 50 10 ECCALM