smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCNc1c2ccccc2nc2ccc([N+](=O)[O-])cc21 ZINC000004991173 181185837 /nfs/dbraw/zinc/18/58/37/181185837.db2.gz YBGPLGCFHRTAJZ-UHFFFAOYSA-N 1 3 324.384 3.660 40 10 DHCBHO