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](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000015721425 524818172 /nfs/dbraw/zinc/81/81/72/524818172.db2.gz ITZMJCSORYKOSI-AJNGGQMLSA-N 0 3 496.569 -2.945 50 30 endogenous,in-man JAEAHN