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](CCC(N)=O)NC(=O)CN)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000026839078 563037476 /nfs/dbraw/zinc/03/74/76/563037476.db2.gz AEZOASMPUUKSOB-GUBZILKMSA-N 0 1 430.466 -4.177 10 30 IAEEMN