smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2nc([N-]C(=O)c3cc(-c4ccccc4)no3)n[n-]2)o1 ZINC000160181957 455434816 /nfs/dbraw/zinc/43/48/16/455434816.db2.gz IJPCASJNKHZWGU-UHFFFAOYSA-N -2 3 335.323 3.280 20 70 EGIDHL CCC(CC)c1cc(C(=O)[N-]c2n[n-]c(-c3ccccn3)n2)on1 ZINC000161481290 455573658 /nfs/dbraw/zinc/57/36/58/455573658.db2.gz GNJIVTXPJKGEGP-UHFFFAOYSA-N -2 3 326.360 3.011 20 70 EGIDHL