smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)C(=CN2CC[NH2+]CC2)C(=O)N1 ZINC000027232424 343114182 /nfs/dbraw/zinc/11/41/82/343114182.db2.gz KRPQZLQSLOSNFP-UHFFFAOYSA-N 1 0 224.220 -1.859 40 10 BACBRO