smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCC[NH2+]CCCCN(CCC[NH3+])N(O)N=O ZINC000042919865 174916576 /nfs/dbraw/zinc/91/65/76/174916576.db2.gz STVYBUMQUAJDER-JQIJEIRASA-N 2 3 262.358 -0.378 1 10 CBCFHP