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+])NCCCC[C@H](O)CC(=O)N[C@@H](O)C(=O)NCCCC[NH2+]CCC[NH3+] ZINC000005518737 560202342 /nfs/dbraw/zinc/20/23/42/560202342.db2.gz GDVNLLJNADMLLR-BBRMVZONSA-N 3 0 403.528 -2.340 10 0 in-vitro HAAERP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)C[NH3+])C(=O)[O-] ZINC000015721900 560645902 /nfs/dbraw/zinc/64/59/02/560645902.db2.gz WDVIDPRACNGFPP-QWRGUYRKSA-N 2 0 416.483 -3.492 10 0 HAAERP