smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000015721974 555956109 /nfs/dbraw/zinc/95/61/09/555956109.db2.gz KSMAWTWPQSIADT-ICSRJNTNSA-N -1 1 481.509 -0.212 10 0 JBAEMM