smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2cc3cc(C)c(NC(=O)C[C@H](N)C(=O)NCCCC[NH2+]CCC[NH3+])cc3nc2cc1N ZINC000040565581 563145565 /nfs/dbraw/zinc/14/55/65/563145565.db2.gz IKMVOPIKDKOTMA-NRFANRHFSA-N 2 3 479.629 2.078 1 5 JEBFHP Cc1cc2cc3cc(C)c(NC(=O)C[C@@H](N)C(=O)NCCCC[NH2+]CCC[NH3+])cc3nc2cc1N ZINC000040565583 563145553 /nfs/dbraw/zinc/14/55/53/563145553.db2.gz IKMVOPIKDKOTMA-OAQYLSRUSA-N 2 3 479.629 2.078 1 5 JEBFHP