smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(-c3nccn3[C@@H]3C[NH2+]C[C@H]3O)cc2)CC1 ZINC000067833673 609596154 /nfs/dbraw/zinc/59/61/54/609596154.db2.gz DXBSKBAHVJKZDG-IAGOWNOFSA-N 2 0 327.432 0.807 10 10 ECCERP