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)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000015722303 555956765 /nfs/dbraw/zinc/95/67/65/555956765.db2.gz JJYSJBMKKZTIOY-LNMJFAINSA-N 0 3 490.561 0.907 10 5 JCBEHN