smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000161410281 291241383 /nfs/dbraw/zinc/24/13/83/291241383.db2.gz KWQBCYIBYSNVMW-KFWWJZLASA-N 2 0 324.469 0.241 10 70 DCIERP