smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000725850001 1060009412 /nfs/dbraw/zinc/00/94/12/1060009412.db2.gz BUYLZVQGRQHYLE-UHFFFAOYSA-N 2 2 452.559 2.809 20 10 JFCDLP