smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc(C[C@H](C[N@H+](CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc1 ZINC000026495049 563028666 /nfs/dbraw/zinc/02/86/66/563028666.db2.gz FEZWPBDUNJUSES-MRXNPFEDSA-N -4 0 498.489 -1.491 1 10 JACFRL Nc1ccc(C[C@H](C(=O)[O-])[NH+](CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-])cc1 ZINC000026839057 563036753 /nfs/dbraw/zinc/03/67/53/563036753.db2.gz BOMMXLFQDOJTQS-MRXNPFEDSA-N -4 0 498.489 -1.491 1 10 JACFRL Nc1ccc(C[C@@H](C(=O)[O-])[NH+](CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-])cc1 ZINC000026839061 563036750 /nfs/dbraw/zinc/03/67/50/563036750.db2.gz BOMMXLFQDOJTQS-INIZCTEOSA-N -4 0 498.489 -1.491 1 10 JACFRL