smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])N[C@@H]1[C@@H](O)[C@H](O)[C@@H](C[NH3+])O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]1N ZINC000014949047 211107026 /nfs/dbraw/zinc/10/70/26/211107026.db2.gz ZBDOVGMSCLQXBM-HKEUSBCWSA-N 3 1 364.403 -5.801 1 30 FAEFMP NC(=[NH2+])NCCC[C@@H](N)C(=O)NCC(=O)N[C@H](C=O)CCCNC(N)=[NH2+] ZINC000096903211 222138109 /nfs/dbraw/zinc/13/81/09/222138109.db2.gz GYSNNEVGEUCRFE-VHSXEESVSA-N 2 1 371.446 -3.779 1 30 FAEFMP