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+])NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000014951239 553522175 /nfs/dbraw/zinc/52/21/75/553522175.db2.gz UEVAHGMTRWGMTB-JBXUNAHCSA-N 2 1 611.748 -1.373 10 30 KAEEMP C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000139647254 571453167 /nfs/dbraw/zinc/45/31/67/571453167.db2.gz GXWJQJWRHLTUKE-YXMSTPNBSA-N 2 1 559.673 -4.530 10 30 KAEEMP NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000205328855 447631176 /nfs/dbraw/zinc/63/11/76/447631176.db2.gz OCODLDKMMDGVIR-QAETUUGQSA-N 3 1 614.757 -4.858 10 30 KAEEMP