smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000027307293 553825282 /nfs/dbraw/zinc/82/52/82/553825282.db2.gz LKDMKWNDBAVNQZ-PLWWPAAYSA-N -1 0 624.651 1.126 10 5 KDBERM