smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Nc2ccc3c(c2)CCC[NH2+]3)cc[nH+]1 ZINC000162879645 178192552 /nfs/dbraw/zinc/19/25/52/178192552.db2.gz ILGKKKFOLKFGGD-UHFFFAOYSA-N 2 2 239.322 3.492 10 10 BGCELP