smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(N)=[NH2+] ZINC000003777328 581095660 /nfs/dbraw/zinc/09/56/60/581095660.db2.gz KAGLWQUWUNBAOO-KSZLIROESA-N 1 3 416.526 -0.245 10 30 investigational HBEEHO