smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[NH2+]CCN1C(=O)C1CC[NH2+]CC1 ZINC000012605027 526953140 /nfs/dbraw/zinc/95/31/40/526953140.db2.gz NYGKTIMGLOCSHM-RTBURBONSA-N 2 1 426.521 -0.520 10 0 IBAEMP