smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000015721900 560645905 /nfs/dbraw/zinc/64/59/05/560645905.db2.gz WDVIDPRACNGFPP-QWRGUYRKSA-N 1 1 416.483 -3.492 10 0 HAAEMO